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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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12816 |
1tnq ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 660 H/Q atoms Start of MODEL 1 1 1H ALA 1 1H ALA 1 -21.187 13.582 -12.203 2 2H ALA 1 2H ALA 1 -22.348 13.960 -13.360 3 3H ALA 1 3H ALA 1 -22.550 12.612 -12.374 4 HA ALA 1 HA ALA 1 -21.878 11.645 -14.292 5 1HB ALA 1 1HB ALA 1 -19.675 12.869 -15.418 6 2HB ALA 1 2HB ALA 1 -20.466 14.285 -14.698 7 3HB ALA 1 3HB ALA 1 -21.348 13.274 -15.871 8 H SER 2 H SER 2 -21.260 11.094 -11.701 9 HA SER 2 HA SER 2 -18.253 10.529 -11.540 10 1HB SER 2 1HB SER 2 -19.916 10.131 -9.077 11 2HB SER 2 2HB SER 2 -18.312 10.842 -9.275 12 HG SER 2 HG SER 2 -20.073 12.280 -8.726 13 H MET 3 H MET 3 -18.277 8.691 -12.832 14 HA MET 3 HA MET 3 -19.797 6.235 -11.798 15 1HB MET 3 1HB MET 3 -19.611 5.281 -14.080 16 2HB MET 3 2HB MET 3 -20.526 6.777 -14.053 17 1HG MET 3 1HG MET 3 -18.599 8.036 -15.019 18 2HG MET 3 2HG MET 3 -17.565 6.607 -14.898 19 1HE MET 3 1HE MET 3 -16.882 6.473 -17.442 20 2HE MET 3 2HE MET 3 -17.736 8.025 -17.680 21 3HE MET 3 3HE MET 3 -18.047 6.660 -18.792 22 H THR 4 H THR 4 -16.741 7.434 -13.179 23 HA THR 4 HA THR 4 -15.234 5.000 -12.197 24 HB THR 4 HB THR 4 -13.243 6.275 -13.379 25 HG1 THR 4 HG1 THR 4 -14.053 8.065 -14.030 26 1HG2 THR 4 1HG2 THR 4 -13.736 4.178 -14.378 27 2HG2 THR 4 2HG2 THR 4 -14.050 5.320 -15.703 28 3HG2 THR 4 3HG2 THR 4 -15.408 4.620 -14.785 29 H ASP 5 H ASP 5 -16.145 6.185 -10.081 30 HA ASP 5 HA ASP 5 -14.627 8.385 -8.870 31 1HB ASP 5 1HB ASP 5 -15.700 6.322 -6.974 32 2HB ASP 5 2HB ASP 5 -15.828 8.066 -6.947 33 H GLN 6 H GLN 6 -14.048 4.962 -9.260 34 HA GLN 6 HA GLN 6 -12.219 4.239 -7.214 35 1HB GLN 6 1HB GLN 6 -12.721 3.295 -9.994 36 2HB GLN 6 2HB GLN 6 -12.592 2.404 -8.489 37 1HG GLN 6 1HG GLN 6 -9.965 2.928 -8.717 38 2HG GLN 6 2HG GLN 6 -10.352 3.229 -10.397 39 1HE2 GLN 6 1HE2 GLN 6 -10.200 -0.255 -11.133 40 2HE2 GLN 6 2HE2 GLN 6 -10.100 1.492 -11.684 41 H GLN 7 H GLN 7 -11.134 5.315 -10.455 42 HA GLN 7 HA GLN 7 -8.390 6.017 -9.400 43 1HB GLN 7 1HB GLN 7 -9.284 6.496 -12.293 44 2HB GLN 7 2HB GLN 7 -7.671 6.214 -11.653 45 1HG GLN 7 1HG GLN 7 -7.802 3.999 -12.030 46 2HG GLN 7 2HG GLN 7 -9.233 3.841 -11.023 47 1HE2 GLN 7 1HE2 GLN 7 -11.313 4.606 -14.164 48 2HE2 GLN 7 2HE2 GLN 7 -11.048 5.445 -12.554 49 H ALA 8 H ALA 8 -11.290 7.603 -10.643 50 HA ALA 8 HA ALA 8 -10.471 10.271 -11.181 51 1HB ALA 8 1HB ALA 8 -12.777 10.988 -10.576 52 2HB ALA 8 2HB ALA 8 -12.796 9.486 -11.521 53 3HB ALA 8 3HB ALA 8 -13.083 9.434 -9.763 54 H GLU 9 H GLU 9 -10.947 8.698 -8.054 55 HA GLU 9 HA GLU 9 -10.780 11.138 -6.372 56 1HB GLU 9 1HB GLU 9 -11.158 9.812 -4.521 57 2HB GLU 9 2HB GLU 9 -11.867 8.810 -5.779 58 1HG GLU 9 1HG GLU 9 -8.950 8.306 -4.981 59 2HG GLU 9 2HG GLU 9 -10.085 7.203 -5.751 60 H ALA 10 H ALA 10 -8.514 8.621 -7.413 61 HA ALA 10 HA ALA 10 -6.226 9.439 -5.730 62 1HB ALA 10 1HB ALA 10 -4.904 7.871 -7.141 63 2HB ALA 10 2HB ALA 10 -6.429 7.133 -6.614 64 3HB ALA 10 3HB ALA 10 -6.255 7.714 -8.290 65 NH1 ARG 11 NH1 ARG 11 -10.170 13.199 -14.653 66 NH2 ARG 11 NH2 ARG 11 -9.438 11.114 -15.177 67 H ARG 11 H ARG 11 -7.506 10.464 -8.812 68 HA ARG 11 HA ARG 11 -5.046 11.681 -9.971 69 1HB ARG 11 1HB ARG 11 -6.842 10.949 -11.479 70 2HB ARG 11 2HB ARG 11 -8.020 11.967 -10.664 71 1HG ARG 11 1HG ARG 11 -6.336 13.966 -11.364 72 2HG ARG 11 2HG ARG 11 -5.830 12.812 -12.600 73 1HD ARG 11 1HD ARG 11 -8.814 13.383 -12.166 74 2HD ARG 11 2HD ARG 11 -7.839 14.492 -13.133 75 HE ARG 11 HE ARG 11 -7.247 12.031 -14.344 76 1HH1 ARG 11 1HH1 ARG 11 -9.983 14.091 -14.181 77 2HH1 ARG 11 2HH1 ARG 11 -11.019 12.944 -15.169 78 1HH2 ARG 11 1HH2 ARG 11 -8.666 10.438 -15.162 79 2HH2 ARG 11 2HH2 ARG 11 -10.361 10.984 -15.607 80 H ALA 12 H ALA 12 -7.851 12.823 -8.121 81 HA ALA 12 HA ALA 12 -7.177 15.727 -8.268 82 1HB ALA 12 1HB ALA 12 -9.066 16.025 -6.678 83 2HB ALA 12 2HB ALA 12 -9.532 14.996 -8.046 84 3HB ALA 12 3HB ALA 12 -9.199 14.263 -6.457 85 H PHE 13 H PHE 13 -6.622 13.040 -6.052 86 HA PHE 13 HA PHE 13 -5.629 14.591 -3.758 87 1HB PHE 13 1HB PHE 13 -5.083 11.638 -4.405 88 2HB PHE 13 2HB PHE 13 -6.576 12.214 -3.710 89 HD1 PHE 13 HD1 PHE 13 -5.770 10.425 -1.913 90 HD2 PHE 13 HD2 PHE 13 -3.801 14.210 -2.489 91 HE1 PHE 13 HE1 PHE 13 -4.703 10.220 0.295 92 HE2 PHE 13 HE2 PHE 13 -2.744 13.984 -0.280 93 HZ PHE 13 HZ PHE 13 -3.189 11.994 1.115 94 H LEU 14 H LEU 14 -4.127 12.956 -6.525 95 HA LEU 14 HA LEU 14 -1.312 13.814 -5.694 96 1HB LEU 14 1HB LEU 14 -0.432 12.209 -7.244 97 2HB LEU 14 2HB LEU 14 -1.951 12.035 -8.096 98 HG LEU 14 HG LEU 14 -2.845 11.045 -5.761 99 1HD1 LEU 14 1HD1 LEU 14 -2.256 8.753 -6.558 100 2HD1 LEU 14 2HD1 LEU 14 -2.756 9.779 -7.914 101 3HD1 LEU 14 3HD1 LEU 14 -1.029 9.423 -7.663 102 1HD2 LEU 14 1HD2 LEU 14 0.193 10.506 -5.521 103 2HD2 LEU 14 2HD2 LEU 14 -0.791 11.481 -4.402 104 3HD2 LEU 14 3HD2 LEU 14 -1.079 9.740 -4.536 105 H SER 15 H SER 15 -0.801 15.743 -6.364 106 HA SER 15 HA SER 15 -2.052 17.184 -8.646 107 1HB SER 15 1HB SER 15 0.517 18.144 -7.338 108 2HB SER 15 2HB SER 15 -0.847 19.074 -7.962 109 HG SER 15 HG SER 15 -1.247 19.103 -5.902 110 H GLU 16 H GLU 16 0.121 18.473 -9.785 111 HA GLU 16 HA GLU 16 1.041 16.453 -11.807 112 1HB GLU 16 1HB GLU 16 0.205 18.654 -12.547 113 2HB GLU 16 2HB GLU 16 1.476 19.486 -11.673 114 1HG GLU 16 1HG GLU 16 1.818 17.647 -14.126 115 2HG GLU 16 2HG GLU 16 3.185 18.216 -13.183 116 H GLU 17 H GLU 17 2.317 18.332 -9.137 117 HA GLU 17 HA GLU 17 5.209 17.943 -9.748 118 1HB GLU 17 1HB GLU 17 3.911 19.738 -8.153 119 2HB GLU 17 2HB GLU 17 4.422 18.604 -6.917 120 1HG GLU 17 1HG GLU 17 6.837 18.861 -8.135 121 2HG GLU 17 2HG GLU 17 6.284 19.984 -6.904 122 H MET 18 H MET 18 2.747 16.347 -7.792 123 HA MET 18 HA MET 18 4.631 14.445 -6.422 124 1HB MET 18 1HB MET 18 1.554 14.429 -6.475 125 2HB MET 18 2HB MET 18 2.562 13.360 -5.517 126 1HG MET 18 1HG MET 18 2.809 16.402 -5.175 127 2HG MET 18 2HG MET 18 3.302 15.124 -4.052 128 1HE MET 18 1HE MET 18 1.947 14.487 -2.041 129 2HE MET 18 2HE MET 18 0.200 14.115 -2.127 130 3HE MET 18 3HE MET 18 1.353 13.221 -3.162 131 H ILE 19 H ILE 19 2.401 14.500 -9.156 132 HA ILE 19 HA ILE 19 2.405 11.632 -9.795 133 HB ILE 19 HB ILE 19 1.641 14.103 -11.392 134 1HG1 ILE 19 1HG1 ILE 19 0.127 12.946 -9.555 135 2HG1 ILE 19 2HG1 ILE 19 -0.091 11.653 -10.716 136 1HG2 ILE 19 1HG2 ILE 19 0.926 12.679 -13.328 137 2HG2 ILE 19 2HG2 ILE 19 2.669 12.561 -13.097 138 3HG2 ILE 19 3HG2 ILE 19 1.619 11.234 -12.551 139 1HD1 ILE 19 1HD1 ILE 19 -1.162 13.154 -12.372 140 2HD1 ILE 19 2HD1 ILE 19 -1.976 13.277 -10.798 141 3HD1 ILE 19 3HD1 ILE 19 -0.866 14.566 -11.321 142 H ALA 20 H ALA 20 4.484 14.371 -10.593 143 HA ALA 20 HA ALA 20 6.122 13.187 -12.689 144 1HB ALA 20 1HB ALA 20 7.750 15.004 -12.184 145 2HB ALA 20 2HB ALA 20 6.088 15.623 -12.257 146 3HB ALA 20 3HB ALA 20 6.887 15.400 -10.679 147 H GLU 21 H GLU 21 6.249 13.010 -9.173 148 HA GLU 21 HA GLU 21 8.985 12.047 -8.790 149 1HB GLU 21 1HB GLU 21 8.030 11.108 -6.565 150 2HB GLU 21 2HB GLU 21 6.488 11.793 -7.041 151 1HG GLU 21 1HG GLU 21 7.384 14.083 -6.986 152 2HG GLU 21 2HG GLU 21 9.040 13.512 -6.878 153 H PHE 22 H PHE 22 5.918 10.487 -9.532 154 HA PHE 22 HA PHE 22 7.034 7.684 -9.372 155 1HB PHE 22 1HB PHE 22 4.205 8.558 -10.218 156 2HB PHE 22 2HB PHE 22 4.735 6.933 -9.876 157 HD1 PHE 22 HD1 PHE 22 6.034 6.744 -7.393 158 HD2 PHE 22 HD2 PHE 22 2.933 9.537 -8.449 159 HE1 PHE 22 HE1 PHE 22 5.560 7.134 -5.012 160 HE2 PHE 22 HE2 PHE 22 2.472 9.910 -6.060 161 HZ PHE 22 HZ PHE 22 3.816 8.752 -4.340 162 H LYS 23 H LYS 23 6.373 10.168 -11.728 163 HA LYS 23 HA LYS 23 5.997 8.786 -14.213 164 1HB LYS 23 1HB LYS 23 6.997 11.471 -13.436 165 2HB LYS 23 2HB LYS 23 7.818 10.878 -14.863 166 1HG LYS 23 1HG LYS 23 5.080 10.340 -15.421 167 2HG LYS 23 2HG LYS 23 5.042 11.852 -14.529 168 1HD LYS 23 1HD LYS 23 5.195 12.155 -17.045 169 2HD LYS 23 2HD LYS 23 6.786 11.386 -17.032 170 1HE LYS 23 1HE LYS 23 7.806 13.202 -15.790 171 2HE LYS 23 2HE LYS 23 6.245 13.845 -15.258 172 1HZ LYS 23 1HZ LYS 23 5.860 14.155 -17.803 173 2HZ LYS 23 2HZ LYS 23 7.505 14.052 -17.917 174 3HZ LYS 23 3HZ LYS 23 6.813 15.233 -16.993 175 H ALA 24 H ALA 24 9.043 9.582 -12.534 176 HA ALA 24 HA ALA 24 10.905 8.558 -14.541 177 1HB ALA 24 1HB ALA 24 12.616 8.663 -12.738 178 2HB ALA 24 2HB ALA 24 11.623 10.132 -12.769 179 3HB ALA 24 3HB ALA 24 11.351 8.902 -11.509 180 H ALA 25 H ALA 25 9.765 7.129 -11.460 181 HA ALA 25 HA ALA 25 11.071 4.495 -11.866 182 1HB ALA 25 1HB ALA 25 9.889 3.835 -9.780 183 2HB ALA 25 2HB ALA 25 10.680 5.412 -9.593 184 3HB ALA 25 3HB ALA 25 8.914 5.324 -9.818 185 H PHE 26 H PHE 26 8.331 5.862 -13.274 186 HA PHE 26 HA PHE 26 6.455 3.529 -13.192 187 1HB PHE 26 1HB PHE 26 5.440 5.722 -13.313 188 2HB PHE 26 2HB PHE 26 6.377 6.199 -14.704 189 HD1 PHE 26 HD1 PHE 26 5.119 6.256 -16.725 190 HD2 PHE 26 HD2 PHE 26 4.104 3.268 -13.801 191 HE1 PHE 26 HE1 PHE 26 3.295 5.447 -18.168 192 HE2 PHE 26 HE2 PHE 26 2.286 2.473 -15.258 193 HZ PHE 26 HZ PHE 26 1.905 3.531 -17.458 194 H ASP 27 H ASP 27 8.473 5.147 -15.659 195 HA ASP 27 HA ASP 27 8.034 3.209 -17.815 196 1HB ASP 27 1HB ASP 27 10.087 4.230 -18.908 197 2HB ASP 27 2HB ASP 27 10.351 5.192 -17.472 198 H MET 28 H MET 28 10.500 3.539 -15.291 199 HA MET 28 HA MET 28 12.338 1.406 -15.862 200 1HB MET 28 1HB MET 28 11.298 2.482 -13.207 201 2HB MET 28 2HB MET 28 12.881 2.660 -13.941 202 1HG MET 28 1HG MET 28 11.781 0.295 -12.367 203 2HG MET 28 2HG MET 28 13.022 -0.022 -13.591 204 1HE MET 28 1HE MET 28 13.350 -0.518 -10.380 205 2HE MET 28 2HE MET 28 14.068 0.839 -9.462 206 3HE MET 28 3HE MET 28 12.359 0.921 -9.981 207 H PHE 29 H PHE 29 9.268 1.205 -14.041 208 HA PHE 29 HA PHE 29 9.218 -1.649 -13.590 209 1HB PHE 29 1HB PHE 29 7.558 0.392 -12.812 210 2HB PHE 29 2HB PHE 29 6.548 -0.295 -14.055 211 HD1 PHE 29 HD1 PHE 29 8.119 -0.934 -10.741 212 HD2 PHE 29 HD2 PHE 29 5.579 -2.602 -13.791 213 HE1 PHE 29 HE1 PHE 29 7.245 -2.578 -9.131 214 HE2 PHE 29 HE2 PHE 29 4.726 -4.242 -12.167 215 HZ PHE 29 HZ PHE 29 5.535 -4.219 -9.834 216 H ASP 30 H ASP 30 7.635 0.251 -16.180 217 HA ASP 30 HA ASP 30 6.409 -1.983 -17.603 218 1HB ASP 30 1HB ASP 30 5.679 0.398 -17.903 219 2HB ASP 30 2HB ASP 30 7.167 0.763 -18.745 220 H ALA 31 H ALA 31 8.934 0.033 -19.086 221 HA ALA 31 HA ALA 31 11.082 -0.547 -20.077 222 1HB ALA 31 1HB ALA 31 11.993 -2.855 -19.837 223 2HB ALA 31 2HB ALA 31 11.464 -2.192 -18.279 224 3HB ALA 31 3HB ALA 31 10.469 -3.415 -19.110 225 H ASP 32 H ASP 32 8.343 -0.544 -21.238 226 HA ASP 32 HA ASP 32 8.957 -1.974 -23.858 227 1HB ASP 32 1HB ASP 32 6.225 -2.128 -22.460 228 2HB ASP 32 2HB ASP 32 7.348 -3.447 -22.693 229 H GLY 33 H GLY 33 9.391 0.704 -23.015 230 1HA GLY 33 1HA GLY 33 9.304 2.643 -24.645 231 2HA GLY 33 2HA GLY 33 7.678 2.154 -25.062 232 H GLY 34 H GLY 34 6.548 1.854 -22.522 233 1HA GLY 34 1HA GLY 34 6.285 3.054 -20.286 234 2HA GLY 34 2HA GLY 34 6.960 4.503 -21.043 235 H GLY 35 H GLY 35 4.233 2.239 -21.435 236 1HA GLY 35 1HA GLY 35 2.310 4.587 -21.901 237 2HA GLY 35 2HA GLY 35 2.348 3.260 -23.070 238 H ASP 36 H ASP 36 2.688 1.066 -21.460 239 HA ASP 36 HA ASP 36 0.751 0.931 -19.193 240 1HB ASP 36 1HB ASP 36 -0.743 -0.830 -20.427 241 2HB ASP 36 2HB ASP 36 -1.068 0.878 -20.613 242 H ILE 37 H ILE 37 1.245 -0.725 -17.936 243 HA ILE 37 HA ILE 37 3.482 -2.592 -18.724 244 HB ILE 37 HB ILE 37 2.443 -3.095 -16.036 245 1HG1 ILE 37 1HG1 ILE 37 2.810 -0.198 -16.724 246 2HG1 ILE 37 2HG1 ILE 37 1.911 -0.949 -15.420 247 1HG2 ILE 37 1HG2 ILE 37 4.825 -2.990 -15.418 248 2HG2 ILE 37 2HG2 ILE 37 4.637 -3.906 -16.920 249 3HG2 ILE 37 3HG2 ILE 37 5.244 -2.233 -16.974 250 1HD1 ILE 37 1HD1 ILE 37 4.952 -0.472 -15.389 251 2HD1 ILE 37 2HD1 ILE 37 3.710 0.381 -14.447 252 3HD1 ILE 37 3HD1 ILE 37 4.046 -1.334 -14.116 253 H SER 38 H SER 38 3.070 -4.843 -17.354 254 HA SER 38 HA SER 38 0.331 -5.996 -17.974 255 1HB SER 38 1HB SER 38 0.977 -7.588 -19.565 256 2HB SER 38 2HB SER 38 1.859 -6.147 -20.078 257 HG SER 38 HG SER 38 2.974 -8.274 -19.851 258 H THR 39 H THR 39 0.971 -8.647 -17.687 259 HA THR 39 HA THR 39 1.523 -8.872 -14.734 260 HB THR 39 HB THR 39 1.060 -11.452 -15.372 261 HG1 THR 39 HG1 THR 39 0.872 -10.623 -17.630 262 1HG2 THR 39 1HG2 THR 39 -1.315 -11.168 -14.819 263 2HG2 THR 39 2HG2 THR 39 -0.357 -10.080 -13.788 264 3HG2 THR 39 3HG2 THR 39 -1.256 -9.428 -15.184 265 H LYS 40 H LYS 40 2.884 -9.960 -17.831 266 HA LYS 40 HA LYS 40 5.092 -11.569 -16.703 267 1HB LYS 40 1HB LYS 40 3.987 -11.606 -19.092 268 2HB LYS 40 2HB LYS 40 5.137 -10.368 -19.527 269 1HG LYS 40 1HG LYS 40 5.923 -13.079 -18.272 270 2HG LYS 40 2HG LYS 40 7.010 -11.943 -19.028 271 1HD LYS 40 1HD LYS 40 6.075 -14.202 -20.294 272 2HD LYS 40 2HD LYS 40 4.808 -13.094 -20.735 273 1HE LYS 40 1HE LYS 40 5.982 -12.108 -22.355 274 2HE LYS 40 2HE LYS 40 7.348 -11.752 -21.306 275 1HZ LYS 40 1HZ LYS 40 7.053 -14.528 -22.239 276 2HZ LYS 40 2HZ LYS 40 8.428 -13.642 -22.002 277 3HZ LYS 40 3HZ LYS 40 7.511 -13.398 -23.354 278 H GLU 41 H GLU 41 5.040 -8.420 -18.420 279 HA GLU 41 HA GLU 41 7.741 -7.563 -18.046 280 1HB GLU 41 1HB GLU 41 7.159 -5.452 -18.743 281 2HB GLU 41 2HB GLU 41 5.670 -5.403 -17.824 282 1HG GLU 41 1HG GLU 41 6.027 -7.064 -20.399 283 2HG GLU 41 2HG GLU 41 4.543 -6.884 -19.488 284 H LEU 42 H LEU 42 4.976 -7.319 -15.852 285 HA LEU 42 HA LEU 42 6.228 -5.641 -13.779 286 1HB LEU 42 1HB LEU 42 3.930 -5.589 -13.541 287 2HB LEU 42 2HB LEU 42 3.703 -7.258 -14.017 288 HG LEU 42 HG LEU 42 4.165 -8.108 -11.810 289 1HD1 LEU 42 1HD1 LEU 42 5.045 -6.710 -9.920 290 2HD1 LEU 42 2HD1 LEU 42 6.201 -6.786 -11.259 291 3HD1 LEU 42 3HD1 LEU 42 5.224 -5.316 -11.016 292 1HD2 LEU 42 1HD2 LEU 42 2.561 -5.489 -11.423 293 2HD2 LEU 42 2HD2 LEU 42 1.899 -7.048 -11.975 294 3HD2 LEU 42 3HD2 LEU 42 2.545 -6.899 -10.331 295 H GLY 43 H GLY 43 5.793 -9.148 -14.193 296 1HA GLY 43 1HA GLY 43 6.691 -10.210 -11.691 297 2HA GLY 43 2HA GLY 43 6.939 -11.044 -13.230 298 H THR 44 H THR 44 8.546 -8.882 -14.376 299 HA THR 44 HA THR 44 11.183 -9.941 -13.744 300 HB THR 44 HB THR 44 10.619 -7.312 -15.207 301 HG1 THR 44 HG1 THR 44 11.155 -9.723 -16.482 302 1HG2 THR 44 1HG2 THR 44 12.762 -7.766 -16.414 303 2HG2 THR 44 2HG2 THR 44 13.042 -7.528 -14.676 304 3HG2 THR 44 3HG2 THR 44 13.070 -9.172 -15.365 305 H VAL 45 H VAL 45 9.867 -6.668 -13.146 306 HA VAL 45 HA VAL 45 12.111 -5.645 -11.592 307 HB VAL 45 HB VAL 45 9.421 -4.667 -12.285 308 1HG1 VAL 45 1HG1 VAL 45 9.166 -3.006 -10.441 309 2HG1 VAL 45 2HG1 VAL 45 9.030 -4.651 -9.809 310 3HG1 VAL 45 3HG1 VAL 45 10.533 -3.735 -9.558 311 1HG2 VAL 45 1HG2 VAL 45 12.045 -3.153 -11.670 312 2HG2 VAL 45 2HG2 VAL 45 11.501 -3.681 -13.280 313 3HG2 VAL 45 3HG2 VAL 45 10.578 -2.452 -12.403 314 H MET 46 H MET 46 9.191 -7.442 -10.750 315 HA MET 46 HA MET 46 9.242 -7.134 -7.841 316 1HB MET 46 1HB MET 46 8.041 -9.624 -8.170 317 2HB MET 46 2HB MET 46 7.806 -8.927 -9.762 318 1HG MET 46 1HG MET 46 7.070 -6.846 -7.885 319 2HG MET 46 2HG MET 46 6.023 -7.748 -8.994 320 1HE MET 46 1HE MET 46 5.896 -6.587 -5.648 321 2HE MET 46 2HE MET 46 5.912 -7.959 -4.500 322 3HE MET 46 3HE MET 46 7.430 -7.438 -5.286 323 NH1 ARG 47 NH1 ARG 47 14.889 -15.750 -10.030 324 NH2 ARG 47 NH2 ARG 47 16.843 -14.642 -10.370 325 H ARG 47 H ARG 47 10.757 -9.406 -10.079 326 HA ARG 47 HA ARG 47 11.722 -11.426 -8.203 327 1HB ARG 47 1HB ARG 47 11.772 -11.153 -10.974 328 2HB ARG 47 2HB ARG 47 13.467 -10.910 -10.575 329 1HG ARG 47 1HG ARG 47 11.767 -13.378 -9.890 330 2HG ARG 47 2HG ARG 47 13.114 -13.280 -11.025 331 1HD ARG 47 1HD ARG 47 13.711 -12.513 -8.130 332 2HD ARG 47 2HD ARG 47 13.398 -14.209 -8.468 333 HE ARG 47 HE ARG 47 15.785 -12.691 -9.461 334 1HH1 ARG 47 1HH1 ARG 47 13.920 -15.713 -9.693 335 2HH1 ARG 47 2HH1 ARG 47 15.372 -16.565 -10.424 336 1HH2 ARG 47 1HH2 ARG 47 17.367 -13.763 -10.295 337 2HH2 ARG 47 2HH2 ARG 47 17.189 -15.534 -10.740 338 H MET 48 H MET 48 12.966 -8.295 -9.204 339 HA MET 48 HA MET 48 15.726 -8.342 -8.510 340 1HB MET 48 1HB MET 48 15.749 -6.055 -8.609 341 2HB MET 48 2HB MET 48 14.183 -6.326 -9.350 342 1HG MET 48 1HG MET 48 13.263 -4.921 -7.812 343 2HG MET 48 2HG MET 48 13.594 -6.123 -6.554 344 1HE MET 48 1HE MET 48 14.024 -2.529 -7.449 345 2HE MET 48 2HE MET 48 15.753 -2.127 -7.231 346 3HE MET 48 3HE MET 48 15.233 -3.091 -8.645 347 H LEU 49 H LEU 49 12.909 -8.225 -6.397 348 HA LEU 49 HA LEU 49 13.971 -7.595 -3.826 349 1HB LEU 49 1HB LEU 49 12.245 -9.867 -3.404 350 2HB LEU 49 2HB LEU 49 11.614 -9.042 -4.812 351 HG LEU 49 HG LEU 49 11.875 -7.987 -1.955 352 1HD1 LEU 49 1HD1 LEU 49 11.325 -5.678 -2.729 353 2HD1 LEU 49 2HD1 LEU 49 12.892 -6.198 -3.375 354 3HD1 LEU 49 3HD1 LEU 49 11.458 -6.187 -4.431 355 1HD2 LEU 49 1HD2 LEU 49 9.518 -7.995 -3.960 356 2HD2 LEU 49 2HD2 LEU 49 9.711 -9.084 -2.565 357 3HD2 LEU 49 3HD2 LEU 49 9.466 -7.351 -2.300 358 H GLY 50 H GLY 50 13.384 -11.000 -4.689 359 1HA GLY 50 1HA GLY 50 15.867 -12.274 -4.751 360 2HA GLY 50 2HA GLY 50 15.753 -11.904 -3.026 361 H GLN 51 H GLN 51 13.970 -13.455 -5.676 362 HA GLN 51 HA GLN 51 13.046 -15.756 -3.941 363 1HB GLN 51 1HB GLN 51 10.611 -14.839 -5.147 364 2HB GLN 51 2HB GLN 51 11.330 -13.425 -4.398 365 1HG GLN 51 1HG GLN 51 10.279 -15.951 -3.096 366 2HG GLN 51 2HG GLN 51 11.640 -15.185 -2.308 367 1HE2 GLN 51 1HE2 GLN 51 9.540 -12.050 -1.825 368 2HE2 GLN 51 2HE2 GLN 51 11.107 -12.465 -2.687 369 H ASN 52 H ASN 52 11.066 -16.675 -5.626 370 HA ASN 52 HA ASN 52 12.142 -16.695 -8.447 371 1HB ASN 52 1HB ASN 52 13.129 -18.639 -6.946 372 2HB ASN 52 2HB ASN 52 11.568 -19.408 -7.135 373 1HD2 ASN 52 1HD2 ASN 52 13.094 -20.868 -10.069 374 2HD2 ASN 52 2HD2 ASN 52 12.213 -21.086 -8.474 375 HA PRO 53 HA PRO 53 7.406 -16.673 -8.254 376 1HB PRO 53 1HB PRO 53 7.367 -14.339 -8.512 377 2HB PRO 53 2HB PRO 53 6.951 -14.773 -10.178 378 1HG PRO 53 1HG PRO 53 9.112 -14.448 -11.030 379 2HG PRO 53 2HG PRO 53 9.154 -13.226 -9.738 380 1HD PRO 53 1HD PRO 53 10.585 -14.596 -8.377 381 2HD PRO 53 2HD PRO 53 10.966 -15.395 -9.931 382 H THR 54 H THR 54 5.767 -16.744 -10.223 383 HA THR 54 HA THR 54 6.810 -18.312 -12.610 384 HB THR 54 HB THR 54 5.927 -19.777 -10.505 385 HG1 THR 54 HG1 THR 54 5.459 -20.321 -13.242 386 1HG2 THR 54 1HG2 THR 54 3.662 -20.678 -10.928 387 2HG2 THR 54 2HG2 THR 54 3.558 -18.941 -10.561 388 3HG2 THR 54 3HG2 THR 54 3.394 -19.508 -12.243 389 H LYS 55 H LYS 55 5.077 -18.613 -14.236 390 HA LYS 55 HA LYS 55 3.952 -16.006 -14.947 391 1HB LYS 55 1HB LYS 55 3.444 -18.773 -16.214 392 2HB LYS 55 2HB LYS 55 2.874 -17.266 -16.901 393 1HG LYS 55 1HG LYS 55 4.931 -16.648 -17.711 394 2HG LYS 55 2HG LYS 55 5.832 -17.322 -16.365 395 1HD LYS 55 1HD LYS 55 6.459 -18.711 -18.228 396 2HD LYS 55 2HD LYS 55 4.840 -18.683 -18.909 397 1HE LYS 55 1HE LYS 55 4.995 -20.021 -16.229 398 2HE LYS 55 2HE LYS 55 4.095 -20.502 -17.666 399 1HZ LYS 55 1HZ LYS 55 6.615 -21.426 -16.760 400 2HZ LYS 55 2HZ LYS 55 6.811 -20.801 -18.277 401 3HZ LYS 55 3HZ LYS 55 5.705 -21.999 -18.014 402 H GLU 56 H GLU 56 2.570 -19.025 -13.702 403 HA GLU 56 HA GLU 56 -0.270 -18.301 -13.927 404 1HB GLU 56 1HB GLU 56 1.275 -20.523 -12.618 405 2HB GLU 56 2HB GLU 56 -0.314 -20.205 -11.951 406 1HG GLU 56 1HG GLU 56 -0.258 -20.375 -14.962 407 2HG GLU 56 2HG GLU 56 0.246 -21.846 -14.147 408 H GLU 57 H GLU 57 2.156 -18.074 -11.345 409 HA GLU 57 HA GLU 57 0.346 -17.215 -9.175 410 1HB GLU 57 1HB GLU 57 3.373 -17.172 -9.457 411 2HB GLU 57 2HB GLU 57 2.370 -18.245 -8.506 412 1HG GLU 57 1HG GLU 57 2.377 -15.259 -7.807 413 2HG GLU 57 2HG GLU 57 2.027 -16.628 -6.759 414 H LEU 58 H LEU 58 2.225 -15.576 -11.661 415 HA LEU 58 HA LEU 58 2.147 -12.863 -10.579 416 1HB LEU 58 1HB LEU 58 2.754 -14.055 -13.315 417 2HB LEU 58 2HB LEU 58 2.546 -12.321 -13.172 418 HG LEU 58 HG LEU 58 4.580 -13.998 -11.561 419 1HD1 LEU 58 1HD1 LEU 58 4.483 -10.920 -11.824 420 2HD1 LEU 58 2HD1 LEU 58 3.854 -11.795 -10.421 421 3HD1 LEU 58 3HD1 LEU 58 5.589 -11.880 -10.809 422 1HD2 LEU 58 1HD2 LEU 58 6.311 -13.127 -13.088 423 2HD2 LEU 58 2HD2 LEU 58 5.037 -13.901 -14.063 424 3HD2 LEU 58 3HD2 LEU 58 5.115 -12.133 -13.958 425 H ASP 59 H ASP 59 0.004 -14.755 -12.635 426 HA ASP 59 HA ASP 59 -1.737 -12.590 -13.593 427 1HB ASP 59 1HB ASP 59 -2.462 -15.569 -13.399 428 2HB ASP 59 2HB ASP 59 -1.526 -14.864 -14.697 429 H ALA 60 H ALA 60 -1.708 -14.650 -10.743 430 HA ALA 60 HA ALA 60 -4.346 -13.806 -9.643 431 1HB ALA 60 1HB ALA 60 -3.616 -14.985 -7.576 432 2HB ALA 60 2HB ALA 60 -3.367 -15.989 -9.017 433 3HB ALA 60 3HB ALA 60 -1.976 -15.194 -8.237 434 H ILE 61 H ILE 61 -0.975 -12.807 -9.339 435 HA ILE 61 HA ILE 61 -1.146 -11.022 -7.047 436 HB ILE 61 HB ILE 61 0.845 -11.542 -9.169 437 1HG1 ILE 61 1HG1 ILE 61 1.981 -12.233 -7.327 438 2HG1 ILE 61 2HG1 ILE 61 0.663 -11.701 -6.305 439 1HG2 ILE 61 1HG2 ILE 61 2.143 -9.405 -8.931 440 2HG2 ILE 61 2HG2 ILE 61 0.575 -9.098 -9.675 441 3HG2 ILE 61 3HG2 ILE 61 0.829 -8.694 -7.961 442 1HD1 ILE 61 1HD1 ILE 61 1.668 -9.457 -5.972 443 2HD1 ILE 61 2HD1 ILE 61 2.833 -10.735 -5.563 444 3HD1 ILE 61 3HD1 ILE 61 2.990 -9.857 -7.103 445 H ILE 62 H ILE 62 -1.606 -10.493 -10.537 446 HA ILE 62 HA ILE 62 -2.214 -7.574 -10.278 447 HB ILE 62 HB ILE 62 -2.239 -9.500 -12.638 448 1HG1 ILE 62 1HG1 ILE 62 0.006 -8.752 -12.097 449 2HG1 ILE 62 2HG1 ILE 62 -0.505 -7.100 -11.819 450 1HG2 ILE 62 1HG2 ILE 62 -2.887 -7.617 -14.167 451 2HG2 ILE 62 2HG2 ILE 62 -4.188 -7.954 -13.027 452 3HG2 ILE 62 3HG2 ILE 62 -3.138 -6.542 -12.769 453 1HD1 ILE 62 1HD1 ILE 62 -0.897 -6.684 -14.231 454 2HD1 ILE 62 2HD1 ILE 62 0.740 -7.317 -13.962 455 3HD1 ILE 62 3HD1 ILE 62 -0.523 -8.388 -14.610 456 H GLU 63 H GLU 63 -3.947 -10.635 -10.573 457 HA GLU 63 HA GLU 63 -6.638 -9.897 -11.052 458 1HB GLU 63 1HB GLU 63 -5.535 -12.252 -10.486 459 2HB GLU 63 2HB GLU 63 -6.095 -11.931 -8.856 460 1HG GLU 63 1HG GLU 63 -8.063 -11.709 -11.201 461 2HG GLU 63 2HG GLU 63 -7.604 -13.292 -10.596 462 H GLU 64 H GLU 64 -4.719 -9.475 -8.129 463 HA GLU 64 HA GLU 64 -6.806 -8.513 -6.308 464 1HB GLU 64 1HB GLU 64 -3.786 -8.354 -6.344 465 2HB GLU 64 2HB GLU 64 -4.641 -7.261 -5.274 466 1HG GLU 64 1HG GLU 64 -3.947 -10.001 -4.798 467 2HG GLU 64 2HG GLU 64 -5.690 -10.027 -5.001 468 H VAL 65 H VAL 65 -4.261 -6.617 -7.972 469 HA VAL 65 HA VAL 65 -6.032 -4.145 -7.956 470 HB VAL 65 HB VAL 65 -3.280 -3.836 -9.052 471 1HG1 VAL 65 1HG1 VAL 65 -3.520 -4.429 -6.033 472 2HG1 VAL 65 2HG1 VAL 65 -2.902 -5.594 -7.218 473 3HG1 VAL 65 3HG1 VAL 65 -2.041 -4.059 -6.953 474 1HG2 VAL 65 1HG2 VAL 65 -3.260 -1.766 -7.750 475 2HG2 VAL 65 2HG2 VAL 65 -4.888 -1.898 -8.457 476 3HG2 VAL 65 3HG2 VAL 65 -4.638 -2.289 -6.750 477 H ASP 66 H ASP 66 -7.404 -5.300 -9.533 478 HA ASP 66 HA ASP 66 -7.008 -4.290 -12.276 479 1HB ASP 66 1HB ASP 66 -6.709 -7.338 -12.051 480 2HB ASP 66 2HB ASP 66 -5.370 -6.238 -12.284 481 H GLU 67 H GLU 67 -8.933 -3.945 -10.434 482 HA GLU 67 HA GLU 67 -11.294 -5.761 -10.901 483 1HB GLU 67 1HB GLU 67 -11.361 -3.154 -9.317 484 2HB GLU 67 2HB GLU 67 -10.591 -4.583 -8.655 485 1HG GLU 67 1HG GLU 67 -13.461 -4.819 -9.697 486 2HG GLU 67 2HG GLU 67 -12.656 -5.782 -8.470 487 H ASP 68 H ASP 68 -10.275 -4.503 -13.236 488 HA ASP 68 HA ASP 68 -12.513 -2.560 -13.996 489 1HB ASP 68 1HB ASP 68 -11.116 -1.146 -15.233 490 2HB ASP 68 2HB ASP 68 -10.202 -1.455 -13.775 491 H GLY 69 H GLY 69 -10.081 -4.876 -15.237 492 1HA GLY 69 1HA GLY 69 -12.037 -5.706 -17.463 493 2HA GLY 69 2HA GLY 69 -11.207 -6.919 -16.489 494 H SER 70 H SER 70 -9.814 -3.889 -17.665 495 HA SER 70 HA SER 70 -8.689 -4.464 -20.161 496 1HB SER 70 1HB SER 70 -8.520 -2.271 -18.927 497 2HB SER 70 2HB SER 70 -7.053 -2.735 -19.794 498 HG SER 70 HG SER 70 -6.050 -3.130 -17.963 499 H GLY 71 H GLY 71 -7.205 -5.264 -17.004 500 1HA GLY 71 1HA GLY 71 -6.042 -7.454 -16.545 501 2HA GLY 71 2HA GLY 71 -5.728 -7.609 -18.278 502 H THR 72 H THR 72 -4.881 -4.847 -18.615 503 HA THR 72 HA THR 72 -1.986 -5.137 -17.910 504 HB THR 72 HB THR 72 -1.829 -2.781 -19.030 505 HG1 THR 72 HG1 THR 72 -4.244 -3.577 -20.209 506 1HG2 THR 72 1HG2 THR 72 -1.805 -3.685 -21.319 507 2HG2 THR 72 2HG2 THR 72 -1.052 -4.868 -20.227 508 3HG2 THR 72 3HG2 THR 72 -2.709 -5.135 -20.830 509 H ILE 73 H ILE 73 -1.064 -2.727 -17.292 510 HA ILE 73 HA ILE 73 -2.581 -1.608 -14.896 511 HB ILE 73 HB ILE 73 0.262 -2.728 -14.716 512 1HG1 ILE 73 1HG1 ILE 73 -2.349 -3.524 -13.272 513 2HG1 ILE 73 2HG1 ILE 73 -0.763 -4.050 -12.751 514 1HG2 ILE 73 1HG2 ILE 73 0.383 -1.847 -12.389 515 2HG2 ILE 73 2HG2 ILE 73 0.112 -0.508 -13.513 516 3HG2 ILE 73 3HG2 ILE 73 -1.236 -1.124 -12.527 517 1HD1 ILE 73 1HD1 ILE 73 -0.358 -5.303 -14.853 518 2HD1 ILE 73 2HD1 ILE 73 -1.890 -5.801 -14.103 519 3HD1 ILE 73 3HD1 ILE 73 -1.910 -4.727 -15.522 520 H ASP 74 H ASP 74 -2.864 -0.093 -16.729 521 HA ASP 74 HA ASP 74 -0.620 1.526 -17.763 522 1HB ASP 74 1HB ASP 74 -2.288 1.803 -19.278 523 2HB ASP 74 2HB ASP 74 -2.676 3.190 -18.286 524 H PHE 75 H PHE 75 -0.586 3.939 -17.425 525 HA PHE 75 HA PHE 75 0.173 4.612 -14.697 526 1HB PHE 75 1HB PHE 75 0.787 5.811 -16.966 527 2HB PHE 75 2HB PHE 75 -0.687 6.718 -16.753 528 HD1 PHE 75 HD1 PHE 75 2.558 5.891 -14.994 529 HD2 PHE 75 HD2 PHE 75 -0.719 8.662 -15.317 530 HE1 PHE 75 HE1 PHE 75 3.689 7.425 -13.438 531 HE2 PHE 75 HE2 PHE 75 0.434 10.187 -13.763 532 HZ PHE 75 HZ PHE 75 2.623 9.564 -12.806 533 H GLU 76 H GLU 76 -2.904 4.616 -16.350 534 HA GLU 76 HA GLU 76 -4.316 6.271 -14.242 535 1HB GLU 76 1HB GLU 76 -5.300 6.921 -16.168 536 2HB GLU 76 2HB GLU 76 -6.384 5.614 -15.744 537 1HG GLU 76 1HG GLU 76 -4.099 5.368 -17.800 538 2HG GLU 76 2HG GLU 76 -5.224 4.095 -17.378 539 H GLU 77 H GLU 77 -3.132 4.006 -13.238 540 HA GLU 77 HA GLU 77 -5.417 2.644 -11.902 541 1HB GLU 77 1HB GLU 77 -5.139 1.350 -14.108 542 2HB GLU 77 2HB GLU 77 -3.594 0.796 -13.505 543 1HG GLU 77 1HG GLU 77 -6.092 0.343 -11.792 544 2HG GLU 77 2HG GLU 77 -4.580 -0.559 -11.780 545 H PHE 78 H PHE 78 -1.944 2.656 -12.626 546 HA PHE 78 HA PHE 78 -0.939 1.393 -10.221 547 1HB PHE 78 1HB PHE 78 0.435 1.882 -12.293 548 2HB PHE 78 2HB PHE 78 0.451 3.582 -11.900 549 HD1 PHE 78 HD1 PHE 78 3.025 3.264 -11.993 550 HD2 PHE 78 HD2 PHE 78 0.630 1.326 -8.990 551 HE1 PHE 78 HE1 PHE 78 5.042 2.823 -10.652 552 HE2 PHE 78 HE2 PHE 78 2.658 0.886 -7.668 553 HZ PHE 78 HZ PHE 78 4.863 1.639 -8.489 554 H LEU 79 H LEU 79 -1.871 4.720 -10.940 555 HA LEU 79 HA LEU 79 -0.867 5.981 -8.466 556 1HB LEU 79 1HB LEU 79 -2.601 7.839 -9.130 557 2HB LEU 79 2HB LEU 79 -2.911 6.887 -10.565 558 HG LEU 79 HG LEU 79 -0.784 7.313 -11.520 559 1HD1 LEU 79 1HD1 LEU 79 -0.452 9.784 -11.404 560 2HD1 LEU 79 2HD1 LEU 79 -2.179 9.388 -11.465 561 3HD1 LEU 79 3HD1 LEU 79 -1.436 9.875 -9.921 562 1HD2 LEU 79 1HD2 LEU 79 0.298 8.179 -8.753 563 2HD2 LEU 79 2HD2 LEU 79 0.701 6.672 -9.612 564 3HD2 LEU 79 3HD2 LEU 79 1.208 8.228 -10.284 565 H VAL 80 H VAL 80 -3.882 4.444 -9.443 566 HA VAL 80 HA VAL 80 -5.524 5.192 -7.122 567 HB VAL 80 HB VAL 80 -6.023 2.628 -8.679 568 1HG1 VAL 80 1HG1 VAL 80 -6.856 5.401 -9.734 569 2HG1 VAL 80 2HG1 VAL 80 -5.456 4.515 -10.352 570 3HG1 VAL 80 3HG1 VAL 80 -7.083 3.817 -10.520 571 1HG2 VAL 80 1HG2 VAL 80 -8.399 3.121 -8.332 572 2HG2 VAL 80 2HG2 VAL 80 -7.601 3.274 -6.750 573 3HG2 VAL 80 3HG2 VAL 80 -8.039 4.729 -7.657 574 H MET 81 H MET 81 -3.272 2.576 -7.854 575 HA MET 81 HA MET 81 -3.782 0.781 -5.581 576 1HB MET 81 1HB MET 81 -2.350 0.305 -7.722 577 2HB MET 81 2HB MET 81 -1.042 1.134 -6.896 578 1HG MET 81 1HG MET 81 -2.427 -1.141 -5.402 579 2HG MET 81 2HG MET 81 -1.319 -1.536 -6.727 580 1HE MET 81 1HE MET 81 0.904 -2.295 -6.097 581 2HE MET 81 2HE MET 81 1.667 -1.997 -4.506 582 3HE MET 81 3HE MET 81 0.099 -2.851 -4.596 583 H MET 82 H MET 82 -1.109 3.108 -6.081 584 HA MET 82 HA MET 82 -0.016 2.978 -3.389 585 1HB MET 82 1HB MET 82 0.883 5.417 -4.091 586 2HB MET 82 2HB MET 82 0.278 4.962 -5.673 587 1HG MET 82 1HG MET 82 1.699 2.738 -5.369 588 2HG MET 82 2HG MET 82 2.518 4.249 -5.782 589 1HE MET 82 1HE MET 82 4.794 2.060 -3.739 590 2HE MET 82 2HE MET 82 3.351 1.529 -4.653 591 3HE MET 82 3HE MET 82 3.409 1.316 -2.878 592 H VAL 83 H VAL 83 -2.587 4.915 -4.814 593 HA VAL 83 HA VAL 83 -2.801 6.989 -2.732 594 HB VAL 83 HB VAL 83 -4.479 6.195 -5.097 595 1HG1 VAL 83 1HG1 VAL 83 -6.354 7.726 -4.471 596 2HG1 VAL 83 2HG1 VAL 83 -6.258 6.366 -3.344 597 3HG1 VAL 83 3HG1 VAL 83 -5.650 7.963 -2.851 598 1HG2 VAL 83 1HG2 VAL 83 -3.505 8.950 -4.088 599 2HG2 VAL 83 2HG2 VAL 83 -2.737 7.982 -5.368 600 3HG2 VAL 83 3HG2 VAL 83 -4.360 8.640 -5.621 601 NH1 ARG 84 NH1 ARG 84 -7.293 -1.253 -6.101 602 NH2 ARG 84 NH2 ARG 84 -9.053 -1.989 -4.869 603 H ARG 84 H ARG 84 -4.216 3.802 -3.269 604 HA ARG 84 HA ARG 84 -6.440 3.735 -1.432 605 1HB ARG 84 1HB ARG 84 -4.651 1.654 -2.662 606 2HB ARG 84 2HB ARG 84 -5.407 1.177 -1.149 607 1HG ARG 84 1HG ARG 84 -7.535 1.079 -2.018 608 2HG ARG 84 2HG ARG 84 -7.317 2.483 -3.065 609 1HD ARG 84 1HD ARG 84 -6.858 1.178 -4.877 610 2HD ARG 84 2HD ARG 84 -5.558 0.333 -4.036 611 HE ARG 84 HE ARG 84 -7.793 -0.964 -2.977 612 1HH1 ARG 84 1HH1 ARG 84 -6.463 -0.652 -6.154 613 2HH1 ARG 84 2HH1 ARG 84 -7.669 -1.849 -6.847 614 1HH2 ARG 84 1HH2 ARG 84 -9.539 -1.989 -3.965 615 2HH2 ARG 84 2HH2 ARG 84 -9.331 -2.496 -5.716 616 H GLN 85 H GLN 85 -3.007 2.920 -0.834 617 HA GLN 85 HA GLN 85 -3.330 2.351 2.057 618 1HB GLN 85 1HB GLN 85 -0.816 2.354 2.121 619 2HB GLN 85 2HB GLN 85 -0.772 2.952 0.473 620 1HG GLN 85 1HG GLN 85 -2.433 0.564 0.463 621 2HG GLN 85 2HG GLN 85 -0.927 0.860 -0.378 622 1HE2 GLN 85 1HE2 GLN 85 -0.348 -0.698 3.440 623 2HE2 GLN 85 2HE2 GLN 85 -1.379 0.797 3.177 624 H MET 86 H MET 86 -2.436 5.146 0.099 625 HA MET 86 HA MET 86 -1.334 6.933 2.088 626 1HB MET 86 1HB MET 86 -2.279 7.203 -0.674 627 2HB MET 86 2HB MET 86 -2.848 8.567 0.270 628 1HG MET 86 1HG MET 86 -0.134 8.380 1.072 629 2HG MET 86 2HG MET 86 -0.084 7.933 -0.641 630 1HE MET 86 1HE MET 86 -2.865 9.525 -1.621 631 2HE MET 86 2HE MET 86 -2.138 11.033 -2.249 632 3HE MET 86 3HE MET 86 -1.384 9.456 -2.625 633 H LYS 87 H LYS 87 -4.660 6.128 1.246 634 HA LYS 87 HA LYS 87 -6.145 8.279 2.508 635 1HB LYS 87 1HB LYS 87 -8.090 7.006 2.277 636 2HB LYS 87 2HB LYS 87 -7.058 6.325 1.028 637 1HG LYS 87 1HG LYS 87 -6.373 4.543 2.891 638 2HG LYS 87 2HG LYS 87 -7.847 5.055 3.695 639 1HD LYS 87 1HD LYS 87 -7.868 4.182 0.747 640 2HD LYS 87 2HD LYS 87 -7.852 2.997 2.048 641 1HE LYS 87 1HE LYS 87 -10.019 5.194 1.888 642 2HE LYS 87 2HE LYS 87 -10.202 3.620 1.102 643 1HZ LYS 87 1HZ LYS 87 -9.440 3.586 3.930 644 2HZ LYS 87 2HZ LYS 87 -10.444 2.574 3.095 645 3HZ LYS 87 3HZ LYS 87 -10.983 4.059 3.577 646 H GLU 88 H GLU 88 -6.199 8.899 4.521 647 HA GLU 88 HA GLU 88 -5.894 8.991 6.899 648 1HB GLU 88 1HB GLU 88 -7.347 6.305 6.649 649 2HB GLU 88 2HB GLU 88 -8.097 7.887 6.731 650 1HG GLU 88 1HG GLU 88 -6.305 6.878 9.020 651 2HG GLU 88 2HG GLU 88 -7.476 8.184 9.068 652 H ASP 89 H ASP 89 -5.672 5.514 7.072 653 HA ASP 89 HA ASP 89 -2.657 5.650 7.572 654 1HB ASP 89 1HB ASP 89 -4.352 5.603 9.707 655 2HB ASP 89 2HB ASP 89 -4.281 3.882 9.408 656 H ALA 90 H ALA 90 -5.525 3.610 7.059 657 HA ALA 90 HA ALA 90 -5.900 1.754 5.558 658 1HB ALA 90 1HB ALA 90 -4.227 1.316 3.740 659 2HB ALA 90 2HB ALA 90 -4.598 3.048 3.848 660 3HB ALA 90 3HB ALA 90 -3.063 2.428 4.503 Start of MODEL 2 Raw file had 660 H/Q atoms Start of MODEL 2 1 1H ALA 1 1H ALA 1 -23.685 4.736 -10.189 2 2H ALA 1 2H ALA 1 -22.820 4.384 -8.790 3 3H ALA 1 3H ALA 1 -22.481 5.784 -9.658 4 HA ALA 1 HA ALA 1 -22.234 3.102 -10.849 5 1HB ALA 1 1HB ALA 1 -20.588 5.543 -11.645 6 2HB ALA 1 2HB ALA 1 -22.286 5.463 -12.150 7 3HB ALA 1 3HB ALA 1 -21.148 4.188 -12.655 8 H SER 2 H SER 2 -19.519 3.303 -11.361 9 HA SER 2 HA SER 2 -17.825 3.834 -8.980 10 1HB SER 2 1HB SER 2 -19.147 1.129 -9.203 11 2HB SER 2 2HB SER 2 -17.450 1.159 -8.717 12 HG SER 2 HG SER 2 -19.490 1.594 -7.226 13 H MET 3 H MET 3 -17.050 4.745 -11.138 14 HA MET 3 HA MET 3 -14.983 2.876 -12.384 15 1HB MET 3 1HB MET 3 -17.015 4.527 -13.989 16 2HB MET 3 2HB MET 3 -15.585 3.791 -14.690 17 1HG MET 3 1HG MET 3 -16.577 1.516 -13.630 18 2HG MET 3 2HG MET 3 -18.089 2.433 -13.593 19 1HE MET 3 1HE MET 3 -15.707 0.288 -15.571 20 2HE MET 3 2HE MET 3 -14.968 1.784 -16.213 21 3HE MET 3 3HE MET 3 -15.920 0.726 -17.295 22 H THR 4 H THR 4 -16.295 6.179 -12.128 23 HA THR 4 HA THR 4 -13.622 7.386 -12.838 24 HB THR 4 HB THR 4 -16.424 8.335 -13.020 25 HG1 THR 4 HG1 THR 4 -14.884 9.400 -14.764 26 1HG2 THR 4 1HG2 THR 4 -15.018 10.161 -11.573 27 2HG2 THR 4 2HG2 THR 4 -16.147 10.641 -12.860 28 3HG2 THR 4 3HG2 THR 4 -14.395 10.584 -13.183 29 H ASP 5 H ASP 5 -15.763 6.945 -10.119 30 HA ASP 5 HA ASP 5 -14.605 9.072 -8.386 31 1HB ASP 5 1HB ASP 5 -15.940 7.594 -6.550 32 2HB ASP 5 2HB ASP 5 -16.703 6.925 -7.974 33 H GLN 6 H GLN 6 -14.162 5.622 -8.883 34 HA GLN 6 HA GLN 6 -12.782 4.746 -6.539 35 1HB GLN 6 1HB GLN 6 -13.065 3.769 -9.290 36 2HB GLN 6 2HB GLN 6 -12.961 2.888 -7.777 37 1HG GLN 6 1HG GLN 6 -10.314 3.488 -8.010 38 2HG GLN 6 2HG GLN 6 -11.037 2.045 -8.686 39 1HE2 GLN 6 1HE2 GLN 6 -8.990 3.834 -11.361 40 2HE2 GLN 6 2HE2 GLN 6 -8.658 3.391 -9.612 41 H GLN 7 H GLN 7 -11.554 6.537 -9.339 42 HA GLN 7 HA GLN 7 -8.722 6.645 -8.178 43 1HB GLN 7 1HB GLN 7 -9.282 5.965 -10.699 44 2HB GLN 7 2HB GLN 7 -7.879 6.945 -10.296 45 1HG GLN 7 1HG GLN 7 -10.237 8.661 -10.836 46 2HG GLN 7 2HG GLN 7 -8.602 8.771 -11.469 47 1HE2 GLN 7 1HE2 GLN 7 -11.453 7.468 -13.945 48 2HE2 GLN 7 2HE2 GLN 7 -11.647 8.529 -12.460 49 H ALA 8 H ALA 8 -11.514 8.586 -9.091 50 HA ALA 8 HA ALA 8 -10.599 11.259 -9.175 51 1HB ALA 8 1HB ALA 8 -12.835 11.951 -8.327 52 2HB ALA 8 2HB ALA 8 -12.973 10.638 -9.511 53 3HB ALA 8 3HB ALA 8 -13.175 10.294 -7.774 54 H GLU 9 H GLU 9 -10.948 9.173 -6.354 55 HA GLU 9 HA GLU 9 -10.732 11.186 -4.232 56 1HB GLU 9 1HB GLU 9 -10.427 9.394 -2.644 57 2HB GLU 9 2HB GLU 9 -11.645 8.909 -3.815 58 1HG GLU 9 1HG GLU 9 -9.785 7.572 -5.069 59 2HG GLU 9 2HG GLU 9 -8.750 7.867 -3.677 60 H ALA 10 H ALA 10 -8.290 8.878 -5.475 61 HA ALA 10 HA ALA 10 -6.051 9.944 -3.884 62 1HB ALA 10 1HB ALA 10 -4.634 8.418 -5.247 63 2HB ALA 10 2HB ALA 10 -6.099 7.595 -4.679 64 3HB ALA 10 3HB ALA 10 -5.978 8.122 -6.377 65 NH1 ARG 11 NH1 ARG 11 -6.642 13.340 -14.350 66 NH2 ARG 11 NH2 ARG 11 -5.799 15.410 -13.947 67 H ARG 11 H ARG 11 -7.480 10.857 -6.916 68 HA ARG 11 HA ARG 11 -5.068 12.156 -8.162 69 1HB ARG 11 1HB ARG 11 -6.528 11.375 -9.827 70 2HB ARG 11 2HB ARG 11 -7.974 11.787 -8.918 71 1HG ARG 11 1HG ARG 11 -7.992 14.043 -9.579 72 2HG ARG 11 2HG ARG 11 -6.255 14.105 -9.888 73 1HD ARG 11 1HD ARG 11 -6.740 12.366 -11.835 74 2HD ARG 11 2HD ARG 11 -8.432 12.837 -11.660 75 HE ARG 11 HE ARG 11 -7.430 15.325 -12.027 76 1HH1 ARG 11 1HH1 ARG 11 -5.726 16.206 -13.304 77 2HH1 ARG 11 2HH1 ARG 11 -5.375 15.330 -14.878 78 1HH2 ARG 11 1HH2 ARG 11 -7.142 12.522 -13.984 79 2HH2 ARG 11 2HH2 ARG 11 -6.230 13.441 -15.284 80 H ALA 12 H ALA 12 -7.966 13.099 -6.359 81 HA ALA 12 HA ALA 12 -7.688 16.034 -6.714 82 1HB ALA 12 1HB ALA 12 -9.488 16.210 -5.009 83 2HB ALA 12 2HB ALA 12 -9.898 15.016 -6.257 84 3HB ALA 12 3HB ALA 12 -9.360 14.471 -4.648 85 H PHE 13 H PHE 13 -6.609 13.640 -4.362 86 HA PHE 13 HA PHE 13 -5.668 15.570 -2.309 87 1HB PHE 13 1HB PHE 13 -5.033 12.577 -2.592 88 2HB PHE 13 2HB PHE 13 -6.464 13.211 -1.824 89 HD1 PHE 13 HD1 PHE 13 -3.258 15.072 -1.396 90 HD2 PHE 13 HD2 PHE 13 -5.779 12.018 0.292 91 HE1 PHE 13 HE1 PHE 13 -2.009 15.194 0.722 92 HE2 PHE 13 HE2 PHE 13 -4.519 12.157 2.400 93 HZ PHE 13 HZ PHE 13 -2.638 13.743 2.622 94 H LEU 14 H LEU 14 -4.153 13.494 -4.780 95 HA LEU 14 HA LEU 14 -1.394 14.714 -4.308 96 1HB LEU 14 1HB LEU 14 -1.916 12.486 -6.318 97 2HB LEU 14 2HB LEU 14 -0.439 12.878 -5.466 98 HG LEU 14 HG LEU 14 -2.749 11.964 -3.733 99 1HD1 LEU 14 1HD1 LEU 14 0.237 11.197 -3.709 100 2HD1 LEU 14 2HD1 LEU 14 -0.450 12.561 -2.808 101 3HD1 LEU 14 3HD1 LEU 14 -0.956 10.897 -2.420 102 1HD2 LEU 14 1HD2 LEU 14 -2.454 9.571 -4.225 103 2HD2 LEU 14 2HD2 LEU 14 -2.821 10.385 -5.765 104 3HD2 LEU 14 3HD2 LEU 14 -1.156 9.911 -5.398 105 H SER 15 H SER 15 -1.093 16.516 -5.360 106 HA SER 15 HA SER 15 -2.535 17.369 -7.802 107 1HB SER 15 1HB SER 15 -1.599 19.447 -7.474 108 2HB SER 15 2HB SER 15 -1.439 18.799 -5.839 109 HG SER 15 HG SER 15 0.596 18.981 -6.043 110 H GLU 16 H GLU 16 -0.457 18.608 -9.235 111 HA GLU 16 HA GLU 16 0.473 16.356 -10.962 112 1HB GLU 16 1HB GLU 16 -0.454 18.462 -11.915 113 2HB GLU 16 2HB GLU 16 0.901 19.377 -11.284 114 1HG GLU 16 1HG GLU 16 1.418 17.019 -13.180 115 2HG GLU 16 2HG GLU 16 2.458 18.392 -12.843 116 H GLU 17 H GLU 17 1.832 18.623 -8.655 117 HA GLU 17 HA GLU 17 4.701 18.161 -9.344 118 1HB GLU 17 1HB GLU 17 5.054 19.317 -6.988 119 2HB GLU 17 2HB GLU 17 3.340 19.672 -7.079 120 1HG GLU 17 1HG GLU 17 4.018 20.649 -9.531 121 2HG GLU 17 2HG GLU 17 5.618 20.729 -8.813 122 H MET 18 H MET 18 2.354 16.915 -7.026 123 HA MET 18 HA MET 18 4.243 15.117 -5.553 124 1HB MET 18 1HB MET 18 1.258 14.578 -5.521 125 2HB MET 18 2HB MET 18 2.450 14.412 -4.245 126 1HG MET 18 1HG MET 18 1.036 16.274 -3.620 127 2HG MET 18 2HG MET 18 1.147 17.014 -5.226 128 1HE MET 18 1HE MET 18 2.847 16.454 -1.737 129 2HE MET 18 2HE MET 18 3.709 18.021 -1.697 130 3HE MET 18 3HE MET 18 1.940 17.982 -1.962 131 H ILE 19 H ILE 19 2.032 14.942 -8.292 132 HA ILE 19 HA ILE 19 1.992 12.055 -8.723 133 HB ILE 19 HB ILE 19 1.334 14.437 -10.450 134 1HG1 ILE 19 1HG1 ILE 19 -0.515 12.093 -10.439 135 2HG1 ILE 19 2HG1 ILE 19 -0.848 13.788 -10.158 136 1HG2 ILE 19 1HG2 ILE 19 0.887 13.023 -12.473 137 2HG2 ILE 19 2HG2 ILE 19 2.604 12.990 -12.075 138 3HG2 ILE 19 3HG2 ILE 19 1.578 11.599 -11.658 139 1HD1 ILE 19 1HD1 ILE 19 -0.184 13.649 -7.774 140 2HD1 ILE 19 2HD1 ILE 19 -1.396 12.410 -8.159 141 3HD1 ILE 19 3HD1 ILE 19 0.314 11.948 -7.986 142 H ALA 20 H ALA 20 4.232 14.629 -9.624 143 HA ALA 20 HA ALA 20 5.863 13.233 -11.584 144 1HB ALA 20 1HB ALA 20 7.548 15.026 -11.184 145 2HB ALA 20 2HB ALA 20 5.910 15.696 -11.319 146 3HB ALA 20 3HB ALA 20 6.685 15.555 -9.721 147 H GLU 21 H GLU 21 5.784 13.069 -8.097 148 HA GLU 21 HA GLU 21 8.509 12.005 -7.652 149 1HB GLU 21 1HB GLU 21 6.034 12.214 -5.885 150 2HB GLU 21 2HB GLU 21 7.440 11.318 -5.343 151 1HG GLU 21 1HG GLU 21 7.228 14.323 -5.947 152 2HG GLU 21 2HG GLU 21 8.800 13.543 -5.889 153 H PHE 22 H PHE 22 5.360 10.637 -8.391 154 HA PHE 22 HA PHE 22 6.165 7.805 -7.725 155 1HB PHE 22 1HB PHE 22 3.518 9.006 -8.734 156 2HB PHE 22 2HB PHE 22 3.776 7.290 -8.576 157 HD1 PHE 22 HD1 PHE 22 3.030 6.256 -6.596 158 HD2 PHE 22 HD2 PHE 22 4.256 10.377 -6.402 159 HE1 PHE 22 HE1 PHE 22 2.523 6.304 -4.190 160 HE2 PHE 22 HE2 PHE 22 3.726 10.410 -3.999 161 HZ PHE 22 HZ PHE 22 2.854 8.380 -2.891 162 H LYS 23 H LYS 23 5.654 9.885 -10.518 163 HA LYS 23 HA LYS 23 5.434 7.828 -12.629 164 1HB LYS 23 1HB LYS 23 5.990 9.669 -14.243 165 2HB LYS 23 2HB LYS 23 4.641 10.036 -13.190 166 1HG LYS 23 1HG LYS 23 6.312 11.398 -11.721 167 2HG LYS 23 2HG LYS 23 5.804 12.054 -13.268 168 1HD LYS 23 1HD LYS 23 8.201 10.446 -13.733 169 2HD LYS 23 2HD LYS 23 8.515 11.523 -12.367 170 1HE LYS 23 1HE LYS 23 9.012 13.108 -13.971 171 2HE LYS 23 2HE LYS 23 7.260 13.300 -14.129 172 1HZ LYS 23 1HZ LYS 23 7.375 11.497 -15.864 173 2HZ LYS 23 2HZ LYS 23 9.024 11.582 -15.798 174 3HZ LYS 23 3HZ LYS 23 8.147 12.898 -16.278 175 H ALA 24 H ALA 24 8.115 9.571 -11.116 176 HA ALA 24 HA ALA 24 10.379 8.825 -12.723 177 1HB ALA 24 1HB ALA 24 11.748 9.058 -10.660 178 2HB ALA 24 2HB ALA 24 10.568 10.374 -10.801 179 3HB ALA 24 3HB ALA 24 10.283 9.044 -9.649 180 H ALA 25 H ALA 25 9.181 7.104 -9.816 181 HA ALA 25 HA ALA 25 10.847 4.680 -10.281 182 1HB ALA 25 1HB ALA 25 9.737 3.800 -8.236 183 2HB ALA 25 2HB ALA 25 10.325 5.454 -7.982 184 3HB ALA 25 3HB ALA 25 8.586 5.157 -8.233 185 H PHE 26 H PHE 26 7.838 5.751 -11.496 186 HA PHE 26 HA PHE 26 6.326 3.194 -11.568 187 1HB PHE 26 1HB PHE 26 4.988 5.176 -11.628 188 2HB PHE 26 2HB PHE 26 5.896 5.903 -12.926 189 HD1 PHE 26 HD1 PHE 26 5.331 5.366 -15.282 190 HD2 PHE 26 HD2 PHE 26 3.432 3.200 -12.088 191 HE1 PHE 26 HE1 PHE 26 3.654 4.491 -16.858 192 HE2 PHE 26 HE2 PHE 26 1.767 2.330 -13.679 193 HZ PHE 26 HZ PHE 26 1.902 2.935 -16.071 194 H ASP 27 H ASP 27 8.402 5.011 -13.808 195 HA ASP 27 HA ASP 27 8.152 3.102 -16.082 196 1HB ASP 27 1HB ASP 27 8.799 5.618 -16.255 197 2HB ASP 27 2HB ASP 27 9.565 4.461 -17.319 198 H MET 28 H MET 28 10.289 3.578 -13.331 199 HA MET 28 HA MET 28 12.405 1.629 -13.971 200 1HB MET 28 1HB MET 28 11.544 2.014 -11.081 201 2HB MET 28 2HB MET 28 12.193 3.394 -11.948 202 1HG MET 28 1HG MET 28 14.346 2.279 -12.339 203 2HG MET 28 2HG MET 28 13.713 0.721 -11.780 204 1HE MET 28 1HE MET 28 12.232 3.803 -9.934 205 2HE MET 28 2HE MET 28 13.499 4.260 -8.757 206 3HE MET 28 3HE MET 28 13.752 4.564 -10.501 207 H PHE 29 H PHE 29 9.154 1.413 -12.630 208 HA PHE 29 HA PHE 29 9.287 -1.420 -11.728 209 1HB PHE 29 1HB PHE 29 7.613 0.446 -10.939 210 2HB PHE 29 2HB PHE 29 6.704 0.099 -12.385 211 HD1 PHE 29 HD1 PHE 29 5.306 -1.910 -12.547 212 HD2 PHE 29 HD2 PHE 29 7.939 -1.430 -9.175 213 HE1 PHE 29 HE1 PHE 29 4.154 -3.740 -11.371 214 HE2 PHE 29 HE2 PHE 29 6.767 -3.256 -8.015 215 HZ PHE 29 HZ PHE 29 4.880 -4.414 -9.107 216 H ASP 30 H ASP 30 8.358 0.331 -14.646 217 HA ASP 30 HA ASP 30 7.201 -1.983 -16.113 218 1HB ASP 30 1HB ASP 30 8.220 0.402 -17.668 219 2HB ASP 30 2HB ASP 30 6.956 0.705 -16.499 220 H ALA 31 H ALA 31 8.134 -2.992 -17.949 221 HA ALA 31 HA ALA 31 11.175 -2.884 -18.242 222 1HB ALA 31 1HB ALA 31 11.348 -5.367 -18.059 223 2HB ALA 31 2HB ALA 31 10.725 -4.642 -16.564 224 3HB ALA 31 3HB ALA 31 9.616 -5.491 -17.672 225 H ASP 32 H ASP 32 8.608 -2.223 -19.832 226 HA ASP 32 HA ASP 32 9.595 -3.401 -22.466 227 1HB ASP 32 1HB ASP 32 6.946 -3.248 -23.081 228 2HB ASP 32 2HB ASP 32 7.761 -4.712 -22.565 229 H GLY 33 H GLY 33 6.793 -1.341 -21.765 230 1HA GLY 33 1HA GLY 33 8.008 0.929 -23.434 231 2HA GLY 33 2HA GLY 33 6.294 0.652 -23.222 232 H GLY 34 H GLY 34 5.266 1.674 -21.587 233 1HA GLY 34 1HA GLY 34 6.416 4.032 -20.330 234 2HA GLY 34 2HA GLY 34 6.466 2.755 -19.110 235 H GLY 35 H GLY 35 4.020 3.108 -21.641 236 1HA GLY 35 1HA GLY 35 1.605 3.387 -21.538 237 2HA GLY 35 2HA GLY 35 2.010 4.696 -20.423 238 H ASP 36 H ASP 36 2.239 1.139 -20.200 239 HA ASP 36 HA ASP 36 0.786 1.172 -17.522 240 1HB ASP 36 1HB ASP 36 -0.642 -0.829 -18.326 241 2HB ASP 36 2HB ASP 36 -1.122 0.784 -18.802 242 H ILE 37 H ILE 37 1.082 -0.753 -16.318 243 HA ILE 37 HA ILE 37 3.623 -2.303 -16.971 244 HB ILE 37 HB ILE 37 2.379 -2.861 -14.340 245 1HG1 ILE 37 1HG1 ILE 37 2.891 -0.006 -15.028 246 2HG1 ILE 37 2HG1 ILE 37 1.980 -0.708 -13.704 247 1HG2 ILE 37 1HG2 ILE 37 4.721 -2.897 -13.573 248 2HG2 ILE 37 2HG2 ILE 37 4.570 -3.816 -15.078 249 3HG2 ILE 37 3HG2 ILE 37 5.282 -2.185 -15.106 250 1HD1 ILE 37 1HD1 ILE 37 5.033 -0.324 -13.704 251 2HD1 ILE 37 2HD1 ILE 37 3.825 0.582 -12.767 252 3HD1 ILE 37 3HD1 ILE 37 4.112 -1.136 -12.410 253 H SER 38 H SER 38 3.239 -4.612 -15.606 254 HA SER 38 HA SER 38 0.626 -5.927 -16.298 255 1HB SER 38 1HB SER 38 2.313 -5.806 -18.427 256 2HB SER 38 2HB SER 38 1.161 -7.117 -18.162 257 HG SER 38 HG SER 38 2.956 -8.185 -18.382 258 H THR 39 H THR 39 1.486 -8.546 -16.271 259 HA THR 39 HA THR 39 2.194 -8.956 -13.371 260 HB THR 39 HB THR 39 1.938 -11.522 -14.440 261 HG1 THR 39 HG1 THR 39 0.650 -11.485 -16.025 262 1HG2 THR 39 1HG2 THR 39 -0.264 -11.623 -13.358 263 2HG2 THR 39 2HG2 THR 39 0.837 -10.689 -12.319 264 3HG2 THR 39 3HG2 THR 39 -0.390 -9.850 -13.306 265 H LYS 40 H LYS 40 3.433 -9.895 -16.589 266 HA LYS 40 HA LYS 40 5.724 -11.421 -15.945 267 1HB LYS 40 1HB LYS 40 5.151 -9.477 -18.202 268 2HB LYS 40 2HB LYS 40 5.180 -11.220 -18.262 269 1HG LYS 40 1HG LYS 40 7.762 -9.703 -17.634 270 2HG LYS 40 2HG LYS 40 7.109 -9.535 -19.242 271 1HD LYS 40 1HD LYS 40 7.296 -12.073 -19.575 272 2HD LYS 40 2HD LYS 40 8.777 -11.181 -19.382 273 1HE LYS 40 1HE LYS 40 9.359 -12.870 -17.995 274 2HE LYS 40 2HE LYS 40 8.570 -11.881 -16.774 275 1HZ LYS 40 1HZ LYS 40 7.044 -13.942 -18.276 276 2HZ LYS 40 2HZ LYS 40 6.703 -13.291 -16.797 277 3HZ LYS 40 3HZ LYS 40 7.960 -14.351 -16.963 278 H GLU 41 H GLU 41 5.765 -7.882 -16.541 279 HA GLU 41 HA GLU 41 8.510 -7.445 -15.569 280 1HB GLU 41 1HB GLU 41 8.311 -5.257 -16.170 281 2HB GLU 41 2HB GLU 41 6.684 -5.085 -15.548 282 1HG GLU 41 1HG GLU 41 7.482 -5.349 -18.284 283 2HG GLU 41 2HG GLU 41 6.703 -6.870 -17.906 284 H LEU 42 H LEU 42 5.291 -7.149 -14.129 285 HA LEU 42 HA LEU 42 5.792 -5.754 -11.683 286 1HB LEU 42 1HB LEU 42 3.525 -6.213 -12.039 287 2HB LEU 42 2HB LEU 42 3.792 -7.887 -12.477 288 HG LEU 42 HG LEU 42 4.518 -8.056 -9.833 289 1HD1 LEU 42 1HD1 LEU 42 2.972 -6.656 -8.439 290 2HD1 LEU 42 2HD1 LEU 42 4.127 -5.650 -9.327 291 3HD1 LEU 42 3HD1 LEU 42 2.441 -5.770 -9.891 292 1HD2 LEU 42 1HD2 LEU 42 1.594 -8.149 -10.845 293 2HD2 LEU 42 2HD2 LEU 42 2.772 -9.483 -10.928 294 3HD2 LEU 42 3HD2 LEU 42 2.210 -8.901 -9.350 295 H GLY 43 H GLY 43 6.480 -9.097 -12.566 296 1HA GLY 43 1HA GLY 43 7.264 -10.012 -9.827 297 2HA GLY 43 2HA GLY 43 7.425 -10.950 -11.316 298 H THR 44 H THR 44 8.876 -8.930 -12.783 299 HA THR 44 HA THR 44 11.571 -9.843 -12.310 300 HB THR 44 HB THR 44 10.605 -7.423 -13.905 301 HG1 THR 44 HG1 THR 44 11.489 -10.031 -14.541 302 1HG2 THR 44 1HG2 THR 44 12.832 -7.396 -15.043 303 2HG2 THR 44 2HG2 THR 44 12.981 -6.947 -13.331 304 3HG2 THR 44 3HG2 THR 44 13.463 -8.576 -13.868 305 H VAL 45 H VAL 45 9.986 -6.792 -11.398 306 HA VAL 45 HA VAL 45 12.327 -5.466 -10.228 307 HB VAL 45 HB VAL 45 9.425 -4.871 -10.394 308 1HG1 VAL 45 1HG1 VAL 45 11.832 -2.945 -10.340 309 2HG1 VAL 45 2HG1 VAL 45 11.291 -3.782 -11.800 310 3HG1 VAL 45 3HG1 VAL 45 10.201 -2.634 -10.990 311 1HG2 VAL 45 1HG2 VAL 45 9.258 -3.248 -8.578 312 2HG2 VAL 45 2HG2 VAL 45 9.758 -4.783 -7.831 313 3HG2 VAL 45 3HG2 VAL 45 10.953 -3.504 -8.089 314 H MET 46 H MET 46 9.847 -7.656 -9.001 315 HA MET 46 HA MET 46 10.451 -7.508 -6.132 316 1HB MET 46 1HB MET 46 9.173 -9.797 -7.740 317 2HB MET 46 2HB MET 46 9.333 -9.792 -5.993 318 1HG MET 46 1HG MET 46 7.107 -8.857 -7.334 319 2HG MET 46 2HG MET 46 7.989 -7.336 -7.121 320 1HE MET 46 1HE MET 46 5.270 -9.296 -5.670 321 2HE MET 46 2HE MET 46 5.120 -8.370 -4.148 322 3HE MET 46 3HE MET 46 5.199 -7.507 -5.712 323 NH1 ARG 47 NH1 ARG 47 17.408 -13.898 -12.171 324 NH2 ARG 47 NH2 ARG 47 16.481 -15.943 -11.817 325 H ARG 47 H ARG 47 11.798 -9.313 -8.836 326 HA ARG 47 HA ARG 47 13.326 -11.350 -7.399 327 1HB ARG 47 1HB ARG 47 12.764 -11.027 -10.017 328 2HB ARG 47 2HB ARG 47 14.346 -10.260 -10.037 329 1HG ARG 47 1HG ARG 47 15.212 -12.432 -8.785 330 2HG ARG 47 2HG ARG 47 13.692 -13.159 -9.306 331 1HD ARG 47 1HD ARG 47 14.377 -12.260 -11.748 332 2HD ARG 47 2HD ARG 47 15.985 -12.124 -11.053 333 HE ARG 47 HE ARG 47 14.598 -14.817 -10.850 334 1HH1 ARG 47 1HH1 ARG 47 17.319 -12.881 -12.078 335 2HH1 ARG 47 2HH1 ARG 47 18.197 -14.412 -12.579 336 1HH2 ARG 47 1HH2 ARG 47 15.689 -16.487 -11.457 337 2HH2 ARG 47 2HH2 ARG 47 17.335 -16.313 -12.250 338 H MET 48 H MET 48 13.946 -7.981 -8.130 339 HA MET 48 HA MET 48 16.769 -7.691 -8.094 340 1HB MET 48 1HB MET 48 14.527 -5.859 -7.346 341 2HB MET 48 2HB MET 48 16.042 -5.488 -6.543 342 1HG MET 48 1HG MET 48 15.308 -5.153 -9.428 343 2HG MET 48 2HG MET 48 16.923 -5.838 -9.183 344 1HE MET 48 1HE MET 48 15.569 -2.709 -10.153 345 2HE MET 48 2HE MET 48 16.980 -1.710 -9.698 346 3HE MET 48 3HE MET 48 17.222 -3.240 -10.592 347 H LEU 49 H LEU 49 14.787 -7.191 -5.151 348 HA LEU 49 HA LEU 49 16.880 -7.125 -3.205 349 1HB LEU 49 1HB LEU 49 14.944 -6.534 -2.152 350 2HB LEU 49 2HB LEU 49 15.008 -8.197 -1.613 351 HG LEU 49 HG LEU 49 13.532 -8.178 -4.122 352 1HD1 LEU 49 1HD1 LEU 49 12.401 -6.141 -2.102 353 2HD1 LEU 49 2HD1 LEU 49 13.188 -5.701 -3.629 354 3HD1 LEU 49 3HD1 LEU 49 11.670 -6.632 -3.651 355 1HD2 LEU 49 1HD2 LEU 49 11.729 -9.180 -2.782 356 2HD2 LEU 49 2HD2 LEU 49 13.268 -9.812 -2.148 357 3HD2 LEU 49 3HD2 LEU 49 12.414 -8.538 -1.267 358 H GLY 50 H GLY 50 15.105 -9.933 -4.483 359 1HA GLY 50 1HA GLY 50 17.257 -11.819 -3.348 360 2HA GLY 50 2HA GLY 50 16.781 -11.901 -5.049 361 H GLN 51 H GLN 51 15.019 -12.984 -5.654 362 HA GLN 51 HA GLN 51 13.694 -14.849 -3.686 363 1HB GLN 51 1HB GLN 51 11.828 -13.045 -5.308 364 2HB GLN 51 2HB GLN 51 12.383 -12.581 -3.711 365 1HG GLN 51 1HG GLN 51 11.480 -15.135 -3.145 366 2HG GLN 51 2HG GLN 51 10.441 -14.758 -4.501 367 1HE2 GLN 51 1HE2 GLN 51 8.345 -13.418 -1.856 368 2HE2 GLN 51 2HE2 GLN 51 8.621 -14.760 -3.077 369 H ASN 52 H ASN 52 11.877 -16.036 -5.108 370 HA ASN 52 HA ASN 52 12.824 -16.429 -7.962 371 1HB ASN 52 1HB ASN 52 13.769 -18.187 -6.214 372 2HB ASN 52 2HB ASN 52 12.174 -18.906 -6.269 373 1HD2 ASN 52 1HD2 ASN 52 14.060 -20.745 -8.869 374 2HD2 ASN 52 2HD2 ASN 52 13.695 -20.690 -7.072 375 HA PRO 53 HA PRO 53 8.112 -16.090 -7.539 376 1HB PRO 53 1HB PRO 53 8.213 -13.792 -8.028 377 2HB PRO 53 2HB PRO 53 7.648 -14.356 -9.609 378 1HG PRO 53 1HG PRO 53 9.763 -14.298 -10.629 379 2HG PRO 53 2HG PRO 53 9.968 -12.941 -9.497 380 1HD PRO 53 1HD PRO 53 11.382 -14.248 -8.052 381 2HD PRO 53 2HD PRO 53 11.640 -15.225 -9.527 382 H THR 54 H THR 54 6.344 -16.237 -9.382 383 HA THR 54 HA THR 54 7.095 -18.009 -11.721 384 HB THR 54 HB THR 54 6.330 -19.261 -9.362 385 HG1 THR 54 HG1 THR 54 5.719 -20.916 -11.139 386 1HG2 THR 54 1HG2 THR 54 4.129 -20.322 -9.747 387 2HG2 THR 54 2HG2 THR 54 3.926 -18.563 -9.576 388 3HG2 THR 54 3HG2 THR 54 3.847 -19.317 -11.189 389 H LYS 55 H LYS 55 5.471 -18.105 -13.303 390 HA LYS 55 HA LYS 55 4.098 -15.528 -13.702 391 1HB LYS 55 1HB LYS 55 5.106 -17.327 -15.456 392 2HB LYS 55 2HB LYS 55 3.895 -16.145 -15.906 393 1HG LYS 55 1HG LYS 55 2.159 -18.076 -15.268 394 2HG LYS 55 2HG LYS 55 2.909 -17.990 -16.852 395 1HD LYS 55 1HD LYS 55 3.234 -20.280 -16.336 396 2HD LYS 55 2HD LYS 55 3.326 -19.976 -14.608 397 1HE LYS 55 1HE LYS 55 5.504 -20.363 -16.477 398 2HE LYS 55 2HE LYS 55 5.674 -18.733 -15.830 399 1HZ LYS 55 1HZ LYS 55 6.045 -21.273 -14.515 400 2HZ LYS 55 2HZ LYS 55 5.125 -20.240 -13.611 401 3HZ LYS 55 3HZ LYS 55 6.635 -19.786 -14.104 402 H GLU 56 H GLU 56 3.106 -18.783 -12.763 403 HA GLU 56 HA GLU 56 0.197 -18.447 -13.073 404 1HB GLU 56 1HB GLU 56 1.006 -20.462 -11.053 405 2HB GLU 56 2HB GLU 56 1.920 -20.607 -12.542 406 1HG GLU 56 1HG GLU 56 -1.157 -20.451 -12.563 407 2HG GLU 56 2HG GLU 56 -0.106 -20.973 -13.869 408 H GLU 57 H GLU 57 2.516 -17.864 -10.488 409 HA GLU 57 HA GLU 57 0.484 -17.470 -8.320 410 1HB GLU 57 1HB GLU 57 2.960 -18.340 -8.095 411 2HB GLU 57 2HB GLU 57 2.167 -17.445 -6.817 412 1HG GLU 57 1HG GLU 57 4.582 -16.720 -8.439 413 2HG GLU 57 2HG GLU 57 3.459 -15.376 -8.275 414 H LEU 58 H LEU 58 2.368 -15.504 -10.549 415 HA LEU 58 HA LEU 58 2.083 -12.903 -9.221 416 1HB LEU 58 1HB LEU 58 3.127 -13.929 -11.823 417 2HB LEU 58 2HB LEU 58 2.448 -12.318 -11.937 418 HG LEU 58 HG LEU 58 4.386 -12.875 -9.649 419 1HD1 LEU 58 1HD1 LEU 58 4.187 -10.422 -11.519 420 2HD1 LEU 58 2HD1 LEU 58 3.294 -10.559 -9.997 421 3HD1 LEU 58 3HD1 LEU 58 5.074 -10.534 -9.977 422 1HD2 LEU 58 1HD2 LEU 58 6.377 -12.618 -11.083 423 2HD2 LEU 58 2HD2 LEU 58 5.412 -13.983 -11.698 424 3HD2 LEU 58 3HD2 LEU 58 5.367 -12.421 -12.537 425 H ASP 59 H ASP 59 0.175 -14.735 -11.547 426 HA ASP 59 HA ASP 59 -1.718 -12.699 -12.435 427 1HB ASP 59 1HB ASP 59 -2.138 -15.735 -12.231 428 2HB ASP 59 2HB ASP 59 -1.496 -14.867 -13.606 429 H ALA 60 H ALA 60 -1.535 -14.739 -9.573 430 HA ALA 60 HA ALA 60 -4.233 -14.248 -8.501 431 1HB ALA 60 1HB ALA 60 -3.351 -15.232 -6.391 432 2HB ALA 60 2HB ALA 60 -2.896 -16.208 -7.801 433 3HB ALA 60 3HB ALA 60 -1.686 -15.161 -7.017 434 H ILE 61 H ILE 61 -1.125 -12.619 -8.237 435 HA ILE 61 HA ILE 61 -1.719 -10.826 -5.982 436 HB ILE 61 HB ILE 61 0.435 -10.887 -8.102 437 1HG1 ILE 61 1HG1 ILE 61 1.197 -12.179 -6.319 438 2HG1 ILE 61 2HG1 ILE 61 0.223 -11.343 -5.128 439 1HG2 ILE 61 1HG2 ILE 61 1.456 -8.748 -7.269 440 2HG2 ILE 61 2HG2 ILE 61 -0.119 -8.441 -7.999 441 3HG2 ILE 61 3HG2 ILE 61 0.040 -8.457 -6.228 442 1HD1 ILE 61 1HD1 ILE 61 1.811 -9.443 -4.988 443 2HD1 ILE 61 2HD1 ILE 61 2.652 -10.985 -4.727 444 3HD1 ILE 61 3HD1 ILE 61 2.807 -10.150 -6.290 445 H ILE 62 H ILE 62 -2.143 -10.673 -9.488 446 HA ILE 62 HA ILE 62 -3.057 -7.828 -9.583 447 HB ILE 62 HB ILE 62 -3.206 -10.002 -11.736 448 1HG1 ILE 62 1HG1 ILE 62 -0.883 -9.644 -11.514 449 2HG1 ILE 62 2HG1 ILE 62 -1.060 -7.990 -10.967 450 1HG2 ILE 62 1HG2 ILE 62 -3.624 -8.148 -13.376 451 2HG2 ILE 62 2HG2 ILE 62 -4.921 -8.214 -12.184 452 3HG2 ILE 62 3HG2 ILE 62 -3.668 -6.959 -12.051 453 1HD1 ILE 62 1HD1 ILE 62 -1.529 -7.154 -13.254 454 2HD1 ILE 62 2HD1 ILE 62 -0.023 -8.095 -13.227 455 3HD1 ILE 62 3HD1 ILE 62 -1.504 -8.821 -13.894 456 H GLU 63 H GLU 63 -4.467 -11.036 -9.269 457 HA GLU 63 HA GLU 63 -7.228 -10.687 -9.784 458 1HB GLU 63 1HB GLU 63 -6.247 -12.190 -7.307 459 2HB GLU 63 2HB GLU 63 -6.013 -12.802 -8.933 460 1HG GLU 63 1HG GLU 63 -8.684 -12.337 -7.474 461 2HG GLU 63 2HG GLU 63 -8.629 -12.594 -9.209 462 H GLU 64 H GLU 64 -5.512 -9.913 -6.744 463 HA GLU 64 HA GLU 64 -7.804 -8.394 -5.568 464 1HB GLU 64 1HB GLU 64 -5.855 -9.730 -4.352 465 2HB GLU 64 2HB GLU 64 -6.660 -8.366 -3.602 466 1HG GLU 64 1HG GLU 64 -3.822 -8.578 -4.675 467 2HG GLU 64 2HG GLU 64 -4.585 -7.002 -4.785 468 H VAL 65 H VAL 65 -7.564 -6.116 -4.956 469 HA VAL 65 HA VAL 65 -7.652 -3.855 -5.763 470 HB VAL 65 HB VAL 65 -5.347 -3.977 -4.810 471 1HG1 VAL 65 1HG1 VAL 65 -5.461 -2.047 -7.216 472 2HG1 VAL 65 2HG1 VAL 65 -6.388 -1.814 -5.722 473 3HG1 VAL 65 3HG1 VAL 65 -4.609 -1.810 -5.670 474 1HG2 VAL 65 1HG2 VAL 65 -3.320 -4.150 -6.165 475 2HG2 VAL 65 2HG2 VAL 65 -4.313 -5.571 -6.567 476 3HG2 VAL 65 3HG2 VAL 65 -4.245 -4.202 -7.686 477 H ASP 66 H ASP 66 -9.138 -4.380 -7.402 478 HA ASP 66 HA ASP 66 -8.318 -3.718 -10.155 479 1HB ASP 66 1HB ASP 66 -9.542 -6.321 -10.599 480 2HB ASP 66 2HB ASP 66 -8.172 -6.541 -9.535 481 H GLU 67 H GLU 67 -9.887 -2.206 -9.255 482 HA GLU 67 HA GLU 67 -12.769 -3.041 -9.008 483 1HB GLU 67 1HB GLU 67 -12.021 -1.392 -7.428 484 2HB GLU 67 2HB GLU 67 -11.353 -0.353 -8.672 485 1HG GLU 67 1HG GLU 67 -13.921 -0.243 -9.529 486 2HG GLU 67 2HG GLU 67 -13.318 0.808 -8.259 487 H ASP 68 H ASP 68 -10.602 -1.449 -11.278 488 HA ASP 68 HA ASP 68 -12.765 -0.601 -13.186 489 1HB ASP 68 1HB ASP 68 -11.244 0.723 -14.212 490 2HB ASP 68 2HB ASP 68 -10.318 0.484 -12.748 491 H GLY 69 H GLY 69 -10.430 -3.206 -12.784 492 1HA GLY 69 1HA GLY 69 -11.956 -5.131 -14.433 493 2HA GLY 69 2HA GLY 69 -10.347 -5.417 -13.755 494 H SER 70 H SER 70 -8.680 -5.489 -15.051 495 HA SER 70 HA SER 70 -8.912 -5.011 -18.012 496 1HB SER 70 1HB SER 70 -6.878 -3.356 -17.925 497 2HB SER 70 2HB SER 70 -8.510 -2.747 -17.637 498 HG SER 70 HG SER 70 -7.326 -1.969 -16.027 499 H GLY 71 H GLY 71 -6.618 -5.345 -15.279 500 1HA GLY 71 1HA GLY 71 -5.185 -7.634 -16.755 501 2HA GLY 71 2HA GLY 71 -5.379 -7.577 -14.998 502 H THR 72 H THR 72 -4.624 -4.752 -16.941 503 HA THR 72 HA THR 72 -1.688 -4.809 -16.175 504 HB THR 72 HB THR 72 -1.488 -2.781 -17.699 505 HG1 THR 72 HG1 THR 72 -4.021 -2.767 -17.570 506 1HG2 THR 72 1HG2 THR 72 -1.548 -4.007 -19.834 507 2HG2 THR 72 2HG2 THR 72 -0.858 -5.064 -18.583 508 3HG2 THR 72 3HG2 THR 72 -2.535 -5.310 -19.136 509 H ILE 73 H ILE 73 -0.699 -3.023 -15.158 510 HA ILE 73 HA ILE 73 -2.505 -1.435 -13.267 511 HB ILE 73 HB ILE 73 0.423 -2.268 -12.992 512 1HG1 ILE 73 1HG1 ILE 73 -2.185 -3.219 -11.745 513 2HG1 ILE 73 2HG1 ILE 73 -0.806 -4.148 -12.291 514 1HG2 ILE 73 1HG2 ILE 73 0.515 -1.065 -10.812 515 2HG2 ILE 73 2HG2 ILE 73 0.135 0.083 -12.104 516 3HG2 ILE 73 3HG2 ILE 73 -1.153 -0.479 -11.011 517 1HD1 ILE 73 1HD1 ILE 73 -0.876 -2.548 -9.667 518 2HD1 ILE 73 2HD1 ILE 73 -0.930 -4.313 -9.864 519 3HD1 ILE 73 3HD1 ILE 73 0.550 -3.422 -10.291 520 H ASP 74 H ASP 74 -3.039 0.045 -14.918 521 HA ASP 74 HA ASP 74 -1.056 1.648 -16.421 522 1HB ASP 74 1HB ASP 74 -3.849 2.738 -15.962 523 2HB ASP 74 2HB ASP 74 -2.821 2.845 -17.373 524 H PHE 75 H PHE 75 -1.130 4.111 -16.194 525 HA PHE 75 HA PHE 75 0.040 4.915 -13.618 526 1HB PHE 75 1HB PHE 75 0.339 5.966 -16.043 527 2HB PHE 75 2HB PHE 75 -1.067 6.919 -15.651 528 HD1 PHE 75 HD1 PHE 75 2.519 6.641 -15.260 529 HD2 PHE 75 HD2 PHE 75 -0.970 8.372 -13.428 530 HE1 PHE 75 HE1 PHE 75 3.942 8.206 -14.005 531 HE2 PHE 75 HE2 PHE 75 0.472 9.935 -12.187 532 HZ PHE 75 HZ PHE 75 2.925 9.847 -12.461 533 H GLU 76 H GLU 76 -3.193 4.939 -14.971 534 HA GLU 76 HA GLU 76 -4.355 6.644 -12.748 535 1HB GLU 76 1HB GLU 76 -6.572 6.017 -14.097 536 2HB GLU 76 2HB GLU 76 -5.516 7.344 -14.531 537 1HG GLU 76 1HG GLU 76 -4.364 5.602 -16.189 538 2HG GLU 76 2HG GLU 76 -5.794 4.630 -15.911 539 H GLU 77 H GLU 77 -3.166 4.349 -11.847 540 HA GLU 77 HA GLU 77 -5.402 2.976 -10.404 541 1HB GLU 77 1HB GLU 77 -5.307 1.665 -12.533 542 2HB GLU 77 2HB GLU 77 -3.635 1.265 -12.218 543 1HG GLU 77 1HG GLU 77 -5.778 0.524 -10.154 544 2HG GLU 77 2HG GLU 77 -4.181 -0.186 -10.363 545 H PHE 78 H PHE 78 -1.944 3.040 -11.217 546 HA PHE 78 HA PHE 78 -0.842 1.746 -8.891 547 1HB PHE 78 1HB PHE 78 0.447 2.424 -10.985 548 2HB PHE 78 2HB PHE 78 0.444 4.084 -10.446 549 HD1 PHE 78 HD1 PHE 78 1.382 0.629 -9.118 550 HD2 PHE 78 HD2 PHE 78 2.401 4.805 -9.295 551 HE1 PHE 78 HE1 PHE 78 3.467 0.184 -7.887 552 HE2 PHE 78 HE2 PHE 78 4.476 4.342 -8.055 553 HZ PHE 78 HZ PHE 78 5.019 2.035 -7.360 554 H LEU 79 H LEU 79 -1.789 5.118 -9.441 555 HA LEU 79 HA LEU 79 -0.811 6.234 -6.897 556 1HB LEU 79 1HB LEU 79 -3.137 7.410 -8.510 557 2HB LEU 79 2HB LEU 79 -2.047 8.250 -7.429 558 HG LEU 79 HG LEU 79 -1.226 7.024 -10.136 559 1HD1 LEU 79 1HD1 LEU 79 -1.102 9.379 -10.954 560 2HD1 LEU 79 2HD1 LEU 79 -2.748 8.989 -10.420 561 3HD1 LEU 79 3HD1 LEU 79 -1.694 9.985 -9.386 562 1HD2 LEU 79 1HD2 LEU 79 0.422 8.803 -8.214 563 2HD2 LEU 79 2HD2 LEU 79 0.735 7.090 -8.586 564 3HD2 LEU 79 3HD2 LEU 79 0.918 8.312 -9.853 565 H VAL 80 H VAL 80 -3.921 4.923 -7.991 566 HA VAL 80 HA VAL 80 -5.543 5.546 -5.621 567 HB VAL 80 HB VAL 80 -5.994 3.190 -7.521 568 1HG1 VAL 80 1HG1 VAL 80 -8.403 3.438 -6.887 569 2HG1 VAL 80 2HG1 VAL 80 -7.415 3.072 -5.467 570 3HG1 VAL 80 3HG1 VAL 80 -7.986 4.735 -5.737 571 1HG2 VAL 80 1HG2 VAL 80 -7.082 6.064 -7.838 572 2HG2 VAL 80 2HG2 VAL 80 -5.854 5.312 -8.882 573 3HG2 VAL 80 3HG2 VAL 80 -7.499 4.660 -8.850 574 H MET 81 H MET 81 -3.273 2.995 -6.475 575 HA MET 81 HA MET 81 -3.770 1.079 -4.330 576 1HB MET 81 1HB MET 81 -0.908 1.408 -5.220 577 2HB MET 81 2HB MET 81 -2.073 1.090 -6.493 578 1HG MET 81 1HG MET 81 -2.844 -0.883 -4.712 579 2HG MET 81 2HG MET 81 -1.131 -0.737 -4.285 580 1HE MET 81 1HE MET 81 0.763 -1.747 -5.505 581 2HE MET 81 2HE MET 81 0.846 -2.001 -7.274 582 3HE MET 81 3HE MET 81 0.744 -0.342 -6.617 583 H MET 82 H MET 82 -1.075 3.420 -4.558 584 HA MET 82 HA MET 82 -0.103 3.156 -1.849 585 1HB MET 82 1HB MET 82 0.212 5.290 -3.980 586 2HB MET 82 2HB MET 82 0.726 5.685 -2.350 587 1HG MET 82 1HG MET 82 2.493 4.674 -4.010 588 2HG MET 82 2HG MET 82 1.688 3.120 -3.758 589 1HE MET 82 1HE MET 82 5.152 4.418 -1.542 590 2HE MET 82 2HE MET 82 4.125 5.879 -1.635 591 3HE MET 82 3HE MET 82 4.482 4.947 -3.118 592 H VAL 83 H VAL 83 -2.790 4.984 -3.154 593 HA VAL 83 HA VAL 83 -3.136 6.902 -0.934 594 HB VAL 83 HB VAL 83 -4.543 6.320 -3.466 595 1HG1 VAL 83 1HG1 VAL 83 -4.409 8.954 -1.870 596 2HG1 VAL 83 2HG1 VAL 83 -3.105 8.396 -2.927 597 3HG1 VAL 83 3HG1 VAL 83 -4.707 8.747 -3.615 598 1HG2 VAL 83 1HG2 VAL 83 -6.760 7.190 -2.931 599 2HG2 VAL 83 2HG2 VAL 83 -6.470 5.839 -1.811 600 3HG2 VAL 83 3HG2 VAL 83 -6.314 7.504 -1.234 601 NH1 ARG 84 NH1 ARG 84 -9.042 -1.387 -2.513 602 NH2 ARG 84 NH2 ARG 84 -7.626 -2.294 -0.986 603 H ARG 84 H ARG 84 -4.589 3.780 -1.831 604 HA ARG 84 HA ARG 84 -6.726 3.567 0.133 605 1HB ARG 84 1HB ARG 84 -5.075 1.473 -1.366 606 2HB ARG 84 2HB ARG 84 -6.170 0.976 -0.084 607 1HG ARG 84 1HG ARG 84 -8.124 1.640 -1.232 608 2HG ARG 84 2HG ARG 84 -7.284 2.816 -2.246 609 1HD ARG 84 1HD ARG 84 -6.211 1.028 -3.581 610 2HD ARG 84 2HD ARG 84 -7.959 0.786 -3.576 611 HE ARG 84 HE ARG 84 -5.911 -1.003 -2.306 612 1HH1 ARG 84 1HH1 ARG 84 -9.188 -0.693 -3.255 613 2HH1 ARG 84 2HH1 ARG 84 -9.732 -2.054 -2.151 614 1HH2 ARG 84 1HH2 ARG 84 -6.676 -2.331 -0.600 615 2HH2 ARG 84 2HH2 ARG 84 -8.431 -2.860 -0.694 616 H GLN 85 H GLN 85 -3.284 2.657 0.283 617 HA GLN 85 HA GLN 85 -3.421 1.540 3.064 618 1HB GLN 85 1HB GLN 85 -0.822 1.569 2.793 619 2HB GLN 85 2HB GLN 85 -1.106 2.080 1.139 620 1HG GLN 85 1HG GLN 85 -2.691 -0.344 1.927 621 2HG GLN 85 2HG GLN 85 -1.837 -0.002 0.439 622 1HE2 GLN 85 1HE2 GLN 85 0.360 -1.680 3.569 623 2HE2 GLN 85 2HE2 GLN 85 -0.913 -0.404 3.914 624 H MET 86 H MET 86 -2.596 4.566 1.474 625 HA MET 86 HA MET 86 -1.122 6.043 3.431 626 1HB MET 86 1HB MET 86 -2.683 6.736 1.070 627 2HB MET 86 2HB MET 86 -3.102 7.857 2.353 628 1HG MET 86 1HG MET 86 -0.258 7.755 2.499 629 2HG MET 86 2HG MET 86 -0.607 7.692 0.763 630 1HE MET 86 1HE MET 86 -3.731 9.153 1.255 631 2HE MET 86 2HE MET 86 -3.329 10.806 0.702 632 3HE MET 86 3HE MET 86 -2.784 9.392 -0.247 633 H LYS 87 H LYS 87 -4.554 5.251 3.285 634 HA LYS 87 HA LYS 87 -5.512 6.950 5.506 635 1HB LYS 87 1HB LYS 87 -7.432 5.115 5.582 636 2HB LYS 87 2HB LYS 87 -6.676 4.484 4.126 637 1HG LYS 87 1HG LYS 87 -7.346 6.232 2.781 638 2HG LYS 87 2HG LYS 87 -7.205 7.449 4.039 639 1HD LYS 87 1HD LYS 87 -9.405 7.116 4.806 640 2HD LYS 87 2HD LYS 87 -9.562 6.794 3.083 641 1HE LYS 87 1HE LYS 87 -9.077 4.215 3.870 642 2HE LYS 87 2HE LYS 87 -9.727 4.818 5.401 643 1HZ LYS 87 1HZ LYS 87 -11.486 3.970 4.007 644 2HZ LYS 87 2HZ LYS 87 -11.098 4.984 2.762 645 3HZ LYS 87 3HZ LYS 87 -11.699 5.600 4.172 646 H GLU 88 H GLU 88 -5.844 6.455 7.627 647 HA GLU 88 HA GLU 88 -4.092 4.261 8.806 648 1HB GLU 88 1HB GLU 88 -4.787 5.595 11.022 649 2HB GLU 88 2HB GLU 88 -3.439 6.069 10.006 650 1HG GLU 88 1HG GLU 88 -4.679 8.079 10.584 651 2HG GLU 88 2HG GLU 88 -4.925 7.797 8.869 652 H ASP 89 H ASP 89 -7.402 5.445 8.570 653 HA ASP 89 HA ASP 89 -8.595 3.546 10.528 654 1HB ASP 89 1HB ASP 89 -9.866 5.462 8.506 655 2HB ASP 89 2HB ASP 89 -9.742 5.646 10.240 656 H ALA 90 H ALA 90 -8.420 1.477 10.109 657 HA ALA 90 HA ALA 90 -9.984 0.203 7.931 658 1HB ALA 90 1HB ALA 90 -8.115 -1.016 6.786 659 2HB ALA 90 2HB ALA 90 -7.951 0.736 6.563 660 3HB ALA 90 3HB ALA 90 -6.906 -0.110 7.730 Start of MODEL 3 Raw file had 660 H/Q atoms Start of MODEL 3 1 1H ALA 1 1H ALA 1 -24.281 10.657 -13.622 2 2H ALA 1 2H ALA 1 -23.079 9.778 -12.841 3 3H ALA 1 3H ALA 1 -23.029 11.459 -12.836 4 HA ALA 1 HA ALA 1 -23.047 11.182 -15.398 5 1HB ALA 1 1HB ALA 1 -21.189 12.002 -13.535 6 2HB ALA 1 2HB ALA 1 -20.869 11.963 -15.280 7 3HB ALA 1 3HB ALA 1 -20.306 10.628 -14.242 8 H SER 2 H SER 2 -22.725 9.724 -16.973 9 HA SER 2 HA SER 2 -22.199 6.799 -16.259 10 1HB SER 2 1HB SER 2 -24.352 7.433 -17.455 11 2HB SER 2 2HB SER 2 -23.393 7.892 -18.865 12 HG SER 2 HG SER 2 -23.029 5.382 -17.634 13 H MET 3 H MET 3 -19.918 7.248 -16.052 14 HA MET 3 HA MET 3 -18.360 6.878 -18.600 15 1HB MET 3 1HB MET 3 -18.515 9.540 -17.238 16 2HB MET 3 2HB MET 3 -16.880 9.002 -17.578 17 1HG MET 3 1HG MET 3 -17.747 8.558 -20.048 18 2HG MET 3 2HG MET 3 -19.148 9.526 -19.573 19 1HE MET 3 1HE MET 3 -18.827 11.010 -21.367 20 2HE MET 3 2HE MET 3 -17.169 11.086 -22.032 21 3HE MET 3 3HE MET 3 -17.873 12.521 -21.231 22 H THR 4 H THR 4 -15.941 6.867 -17.995 23 HA THR 4 HA THR 4 -15.499 4.951 -15.799 24 HB THR 4 HB THR 4 -12.975 5.373 -16.485 25 HG1 THR 4 HG1 THR 4 -13.240 5.840 -18.866 26 1HG2 THR 4 1HG2 THR 4 -13.938 3.194 -16.992 27 2HG2 THR 4 2HG2 THR 4 -13.223 3.808 -18.499 28 3HG2 THR 4 3HG2 THR 4 -14.989 3.858 -18.261 29 H ASP 5 H ASP 5 -15.582 5.592 -13.775 30 HA ASP 5 HA ASP 5 -14.893 8.402 -12.924 31 1HB ASP 5 1HB ASP 5 -16.961 6.944 -12.109 32 2HB ASP 5 2HB ASP 5 -15.821 6.243 -10.983 33 H GLN 6 H GLN 6 -13.671 5.126 -12.658 34 HA GLN 6 HA GLN 6 -11.821 5.339 -10.441 35 1HB GLN 6 1HB GLN 6 -12.415 3.165 -11.432 36 2HB GLN 6 2HB GLN 6 -10.678 3.377 -11.312 37 1HG GLN 6 1HG GLN 6 -10.441 3.741 -13.718 38 2HG GLN 6 2HG GLN 6 -12.167 3.913 -13.947 39 1HE2 GLN 6 1HE2 GLN 6 -10.505 0.202 -14.151 40 2HE2 GLN 6 2HE2 GLN 6 -9.536 1.745 -13.935 41 H GLN 7 H GLN 7 -11.151 5.673 -13.946 42 HA GLN 7 HA GLN 7 -8.323 6.500 -13.634 43 1HB GLN 7 1HB GLN 7 -8.819 5.509 -15.755 44 2HB GLN 7 2HB GLN 7 -8.518 7.211 -16.074 45 1HG GLN 7 1HG GLN 7 -11.285 5.882 -15.988 46 2HG GLN 7 2HG GLN 7 -11.059 7.619 -16.123 47 1HE2 GLN 7 1HE2 GLN 7 -10.387 5.166 -19.395 48 2HE2 GLN 7 2HE2 GLN 7 -10.680 4.494 -17.713 49 H ALA 8 H ALA 8 -11.226 8.299 -14.739 50 HA ALA 8 HA ALA 8 -10.194 10.961 -14.952 51 1HB ALA 8 1HB ALA 8 -12.528 11.748 -14.593 52 2HB ALA 8 2HB ALA 8 -12.482 10.340 -15.672 53 3HB ALA 8 3HB ALA 8 -13.010 10.147 -13.981 54 H GLU 9 H GLU 9 -10.966 9.079 -12.094 55 HA GLU 9 HA GLU 9 -10.987 11.361 -10.164 56 1HB GLU 9 1HB GLU 9 -11.547 8.434 -10.010 57 2HB GLU 9 2HB GLU 9 -10.652 9.025 -8.618 58 1HG GLU 9 1HG GLU 9 -13.428 9.145 -8.891 59 2HG GLU 9 2HG GLU 9 -12.984 10.787 -9.342 60 H ALA 10 H ALA 10 -8.745 8.734 -11.029 61 HA ALA 10 HA ALA 10 -6.727 9.215 -8.976 62 1HB ALA 10 1HB ALA 10 -5.249 7.762 -10.354 63 2HB ALA 10 2HB ALA 10 -6.876 7.070 -10.206 64 3HB ALA 10 3HB ALA 10 -6.379 7.858 -11.726 65 NH1 ARG 11 NH1 ARG 11 -6.694 15.650 -18.078 66 NH2 ARG 11 NH2 ARG 11 -8.449 16.172 -16.733 67 H ARG 11 H ARG 11 -7.265 10.574 -12.176 68 HA ARG 11 HA ARG 11 -4.572 11.833 -12.545 69 1HB ARG 11 1HB ARG 11 -6.198 11.120 -14.441 70 2HB ARG 11 2HB ARG 11 -7.165 12.527 -14.029 71 1HG ARG 11 1HG ARG 11 -4.930 13.922 -14.340 72 2HG ARG 11 2HG ARG 11 -4.339 12.499 -15.202 73 1HD ARG 11 1HD ARG 11 -5.272 13.691 -16.991 74 2HD ARG 11 2HD ARG 11 -6.647 12.668 -16.570 75 HE ARG 11 HE ARG 11 -7.060 15.005 -15.000 76 1HH1 ARG 11 1HH1 ARG 11 -8.926 16.028 -15.836 77 2HH1 ARG 11 2HH1 ARG 11 -8.745 16.791 -17.495 78 1HH2 ARG 11 1HH2 ARG 11 -5.858 15.075 -18.227 79 2HH2 ARG 11 2HH2 ARG 11 -7.090 16.340 -18.727 80 H ALA 12 H ALA 12 -7.785 12.811 -11.431 81 HA ALA 12 HA ALA 12 -7.208 15.707 -11.054 82 1HB ALA 12 1HB ALA 12 -9.360 15.760 -9.809 83 2HB ALA 12 2HB ALA 12 -9.534 14.909 -11.357 84 3HB ALA 12 3HB ALA 12 -9.457 13.983 -9.836 85 H PHE 13 H PHE 13 -6.818 12.762 -9.178 86 HA PHE 13 HA PHE 13 -6.558 13.873 -6.497 87 1HB PHE 13 1HB PHE 13 -5.083 11.346 -7.364 88 2HB PHE 13 2HB PHE 13 -6.827 11.369 -7.367 89 HD1 PHE 13 HD1 PHE 13 -6.642 13.486 -4.782 90 HD2 PHE 13 HD2 PHE 13 -5.189 9.523 -5.628 91 HE1 PHE 13 HE1 PHE 13 -6.649 12.957 -2.378 92 HE2 PHE 13 HE2 PHE 13 -5.203 9.015 -3.222 93 HZ PHE 13 HZ PHE 13 -5.930 10.726 -1.594 94 H LEU 14 H LEU 14 -4.123 12.975 -8.956 95 HA LEU 14 HA LEU 14 -1.979 14.614 -7.482 96 1HB LEU 14 1HB LEU 14 -0.459 12.881 -8.960 97 2HB LEU 14 2HB LEU 14 -0.868 12.657 -7.273 98 HG LEU 14 HG LEU 14 -2.966 11.296 -8.163 99 1HD1 LEU 14 1HD1 LEU 14 -0.152 10.075 -8.474 100 2HD1 LEU 14 2HD1 LEU 14 -0.955 10.349 -6.917 101 3HD1 LEU 14 3HD1 LEU 14 -1.660 9.207 -8.088 102 1HD2 LEU 14 1HD2 LEU 14 -2.721 10.205 -10.354 103 2HD2 LEU 14 2HD2 LEU 14 -2.613 11.962 -10.625 104 3HD2 LEU 14 3HD2 LEU 14 -1.141 10.980 -10.632 105 H SER 15 H SER 15 -1.099 16.183 -8.598 106 HA SER 15 HA SER 15 -2.201 17.042 -11.195 107 1HB SER 15 1HB SER 15 -0.967 19.053 -10.917 108 2HB SER 15 2HB SER 15 -1.432 18.564 -9.286 109 HG SER 15 HG SER 15 0.590 18.742 -8.915 110 H GLU 16 H GLU 16 0.100 18.158 -12.397 111 HA GLU 16 HA GLU 16 1.084 15.823 -13.989 112 1HB GLU 16 1HB GLU 16 0.375 17.824 -15.177 113 2HB GLU 16 2HB GLU 16 1.512 18.839 -14.310 114 1HG GLU 16 1HG GLU 16 1.969 17.838 -16.821 115 2HG GLU 16 2HG GLU 16 2.677 16.521 -15.903 116 H GLU 17 H GLU 17 2.291 18.071 -11.592 117 HA GLU 17 HA GLU 17 5.170 17.605 -11.860 118 1HB GLU 17 1HB GLU 17 3.462 18.772 -9.672 119 2HB GLU 17 2HB GLU 17 5.051 18.204 -9.198 120 1HG GLU 17 1HG GLU 17 5.504 20.449 -9.715 121 2HG GLU 17 2HG GLU 17 5.948 19.676 -11.228 122 H MET 18 H MET 18 2.744 16.143 -9.677 123 HA MET 18 HA MET 18 4.592 14.176 -8.430 124 1HB MET 18 1HB MET 18 2.761 13.356 -7.188 125 2HB MET 18 2HB MET 18 1.587 13.739 -8.433 126 1HG MET 18 1HG MET 18 2.617 16.298 -7.670 127 2HG MET 18 2HG MET 18 1.037 15.609 -7.264 128 1HE MET 18 1HE MET 18 4.795 16.135 -6.110 129 2HE MET 18 2HE MET 18 4.867 15.161 -4.611 130 3HE MET 18 3HE MET 18 4.707 14.347 -6.196 131 H ILE 19 H ILE 19 2.345 14.228 -11.146 132 HA ILE 19 HA ILE 19 2.180 11.347 -11.671 133 HB ILE 19 HB ILE 19 1.396 13.821 -13.174 134 1HG1 ILE 19 1HG1 ILE 19 -0.157 11.176 -12.912 135 2HG1 ILE 19 2HG1 ILE 19 -0.079 12.310 -11.581 136 1HG2 ILE 19 1HG2 ILE 19 0.891 12.606 -15.309 137 2HG2 ILE 19 2HG2 ILE 19 2.626 12.599 -15.001 138 3HG2 ILE 19 3HG2 ILE 19 1.672 11.133 -14.682 139 1HD1 ILE 19 1HD1 ILE 19 -1.299 12.955 -14.330 140 2HD1 ILE 19 2HD1 ILE 19 -2.151 12.708 -12.792 141 3HD1 ILE 19 3HD1 ILE 19 -1.104 14.131 -13.002 142 H ALA 20 H ALA 20 4.478 13.875 -12.515 143 HA ALA 20 HA ALA 20 5.903 12.609 -14.706 144 1HB ALA 20 1HB ALA 20 7.721 14.245 -14.226 145 2HB ALA 20 2HB ALA 20 6.126 15.021 -14.188 146 3HB ALA 20 3HB ALA 20 6.977 14.661 -12.664 147 H GLU 21 H GLU 21 6.084 12.166 -11.232 148 HA GLU 21 HA GLU 21 8.711 10.843 -11.079 149 1HB GLU 21 1HB GLU 21 7.958 10.091 -8.789 150 2HB GLU 21 2HB GLU 21 6.367 10.755 -9.103 151 1HG GLU 21 1HG GLU 21 7.741 13.039 -9.570 152 2HG GLU 21 2HG GLU 21 7.286 12.547 -7.948 153 H PHE 22 H PHE 22 5.421 9.780 -11.712 154 HA PHE 22 HA PHE 22 5.989 6.853 -11.383 155 1HB PHE 22 1HB PHE 22 3.458 8.274 -12.421 156 2HB PHE 22 2HB PHE 22 3.603 6.556 -12.165 157 HD1 PHE 22 HD1 PHE 22 3.865 5.596 -9.825 158 HD2 PHE 22 HD2 PHE 22 3.119 9.786 -10.471 159 HE1 PHE 22 HE1 PHE 22 3.259 5.864 -7.457 160 HE2 PHE 22 HE2 PHE 22 2.518 10.033 -8.098 161 HZ PHE 22 HZ PHE 22 2.551 8.070 -6.597 162 H LYS 23 H LYS 23 5.542 9.181 -14.013 163 HA LYS 23 HA LYS 23 5.382 7.195 -16.237 164 1HB LYS 23 1HB LYS 23 5.611 9.142 -17.769 165 2HB LYS 23 2HB LYS 23 4.322 9.353 -16.604 166 1HG LYS 23 1HG LYS 23 5.181 11.327 -15.904 167 2HG LYS 23 2HG LYS 23 6.703 10.564 -15.476 168 1HD LYS 23 1HD LYS 23 7.800 11.265 -17.381 169 2HD LYS 23 2HD LYS 23 6.402 11.008 -18.432 170 1HE LYS 23 1HE LYS 23 7.284 13.507 -17.871 171 2HE LYS 23 2HE LYS 23 6.278 13.320 -16.427 172 1HZ LYS 23 1HZ LYS 23 4.772 14.134 -17.927 173 2HZ LYS 23 2HZ LYS 23 4.525 12.525 -18.207 174 3HZ LYS 23 3HZ LYS 23 5.454 13.411 -19.247 175 H ALA 24 H ALA 24 7.900 9.103 -14.663 176 HA ALA 24 HA ALA 24 10.193 8.682 -16.373 177 1HB ALA 24 1HB ALA 24 11.578 8.951 -14.325 178 2HB ALA 24 2HB ALA 24 10.277 10.155 -14.385 179 3HB ALA 24 3HB ALA 24 10.143 8.755 -13.291 180 H ALA 25 H ALA 25 9.086 6.695 -13.604 181 HA ALA 25 HA ALA 25 10.945 4.427 -14.195 182 1HB ALA 25 1HB ALA 25 9.900 3.352 -12.210 183 2HB ALA 25 2HB ALA 25 10.385 5.020 -11.852 184 3HB ALA 25 3HB ALA 25 8.667 4.632 -12.121 185 H PHE 26 H PHE 26 7.829 5.372 -15.280 186 HA PHE 26 HA PHE 26 6.464 2.765 -15.508 187 1HB PHE 26 1HB PHE 26 4.978 4.587 -15.557 188 2HB PHE 26 2HB PHE 26 5.941 5.532 -16.662 189 HD1 PHE 26 HD1 PHE 26 3.290 3.004 -16.345 190 HD2 PHE 26 HD2 PHE 26 5.941 4.870 -19.174 191 HE1 PHE 26 HE1 PHE 26 1.872 2.228 -18.202 192 HE2 PHE 26 HE2 PHE 26 4.512 4.081 -21.018 193 HZ PHE 26 HZ PHE 26 2.463 2.788 -20.535 194 H ASP 27 H ASP 27 8.604 4.670 -17.582 195 HA ASP 27 HA ASP 27 8.277 3.157 -20.068 196 1HB ASP 27 1HB ASP 27 10.690 4.855 -19.207 197 2HB ASP 27 2HB ASP 27 10.447 4.197 -20.808 198 H MET 28 H MET 28 10.874 3.069 -17.607 199 HA MET 28 HA MET 28 12.433 0.843 -18.450 200 1HB MET 28 1HB MET 28 12.061 0.596 -15.562 201 2HB MET 28 2HB MET 28 13.487 1.069 -16.503 202 1HG MET 28 1HG MET 28 11.288 3.086 -15.754 203 2HG MET 28 2HG MET 28 12.710 2.744 -14.751 204 1HE MET 28 1HE MET 28 14.741 4.182 -14.839 205 2HE MET 28 2HE MET 28 14.834 5.563 -15.971 206 3HE MET 28 3HE MET 28 13.402 5.370 -14.917 207 H PHE 29 H PHE 29 9.613 0.725 -16.251 208 HA PHE 29 HA PHE 29 9.202 -2.058 -15.930 209 1HB PHE 29 1HB PHE 29 7.785 -0.076 -14.975 210 2HB PHE 29 2HB PHE 29 6.832 -0.173 -16.431 211 HD1 PHE 29 HD1 PHE 29 4.967 -0.588 -14.630 212 HD2 PHE 29 HD2 PHE 29 8.049 -3.471 -15.482 213 HE1 PHE 29 HE1 PHE 29 3.599 -2.368 -13.621 214 HE2 PHE 29 HE2 PHE 29 6.667 -5.232 -14.461 215 HZ PHE 29 HZ PHE 29 4.439 -4.691 -13.547 216 H ASP 30 H ASP 30 8.137 -0.003 -18.639 217 HA ASP 30 HA ASP 30 6.631 -1.912 -20.183 218 1HB ASP 30 1HB ASP 30 7.105 0.724 -20.559 219 2HB ASP 30 2HB ASP 30 8.294 0.124 -21.693 220 H ALA 31 H ALA 31 9.928 -0.840 -21.056 221 HA ALA 31 HA ALA 31 11.916 -2.128 -21.570 222 1HB ALA 31 1HB ALA 31 11.883 -4.615 -21.538 223 2HB ALA 31 2HB ALA 31 11.165 -3.936 -20.064 224 3HB ALA 31 3HB ALA 31 10.116 -4.627 -21.329 225 H ASP 32 H ASP 32 8.845 -2.472 -23.209 226 HA ASP 32 HA ASP 32 10.047 -3.476 -25.802 227 1HB ASP 32 1HB ASP 32 7.597 -4.036 -24.689 228 2HB ASP 32 2HB ASP 32 8.024 -4.264 -26.369 229 H GLY 33 H GLY 33 8.702 -0.584 -24.312 230 1HA GLY 33 1HA GLY 33 10.050 1.368 -25.972 231 2HA GLY 33 2HA GLY 33 8.510 1.082 -26.749 232 H GLY 34 H GLY 34 6.554 1.469 -25.472 233 1HA GLY 34 1HA GLY 34 6.764 3.986 -23.800 234 2HA GLY 34 2HA GLY 34 6.138 2.577 -22.933 235 H GLY 35 H GLY 35 4.072 3.128 -22.670 236 1HA GLY 35 1HA GLY 35 2.251 3.395 -25.126 237 2HA GLY 35 2HA GLY 35 2.181 4.643 -23.874 238 H ASP 36 H ASP 36 2.524 1.103 -23.646 239 HA ASP 36 HA ASP 36 0.629 0.912 -21.354 240 1HB ASP 36 1HB ASP 36 -1.250 -0.071 -22.238 241 2HB ASP 36 2HB ASP 36 -0.397 -0.839 -23.558 242 H ILE 37 H ILE 37 1.239 -0.722 -20.128 243 HA ILE 37 HA ILE 37 3.486 -2.526 -20.991 244 HB ILE 37 HB ILE 37 2.405 -3.134 -18.325 245 1HG1 ILE 37 1HG1 ILE 37 2.984 -0.221 -18.910 246 2HG1 ILE 37 2HG1 ILE 37 1.874 -0.943 -17.761 247 1HG2 ILE 37 1HG2 ILE 37 4.785 -3.107 -17.686 248 2HG2 ILE 37 2HG2 ILE 37 4.588 -3.973 -19.216 249 3HG2 ILE 37 3HG2 ILE 37 5.236 -2.315 -19.215 250 1HD1 ILE 37 1HD1 ILE 37 4.915 -0.726 -17.343 251 2HD1 ILE 37 2HD1 ILE 37 3.638 0.192 -16.516 252 3HD1 ILE 37 3HD1 ILE 37 3.795 -1.557 -16.230 253 H SER 38 H SER 38 3.285 -4.867 -20.045 254 HA SER 38 HA SER 38 0.609 -6.115 -20.799 255 1HB SER 38 1HB SER 38 3.084 -7.302 -22.097 256 2HB SER 38 2HB SER 38 2.334 -5.879 -22.824 257 HG SER 38 HG SER 38 1.496 -8.454 -22.732 258 H THR 39 H THR 39 1.022 -8.646 -20.624 259 HA THR 39 HA THR 39 1.833 -9.175 -17.781 260 HB THR 39 HB THR 39 1.125 -11.664 -18.709 261 HG1 THR 39 HG1 THR 39 0.662 -10.591 -20.744 262 1HG2 THR 39 1HG2 THR 39 -1.092 -11.331 -17.706 263 2HG2 THR 39 2HG2 THR 39 0.118 -10.505 -16.698 264 3HG2 THR 39 3HG2 THR 39 -0.932 -9.562 -17.788 265 H LYS 40 H LYS 40 3.055 -9.711 -21.016 266 HA LYS 40 HA LYS 40 5.103 -11.759 -20.240 267 1HB LYS 40 1HB LYS 40 3.878 -11.196 -22.622 268 2HB LYS 40 2HB LYS 40 5.362 -10.320 -22.895 269 1HG LYS 40 1HG LYS 40 4.886 -12.982 -23.436 270 2HG LYS 40 2HG LYS 40 5.526 -13.174 -21.825 271 1HD LYS 40 1HD LYS 40 7.561 -11.620 -22.968 272 2HD LYS 40 2HD LYS 40 7.529 -13.346 -22.756 273 1HE LYS 40 1HE LYS 40 6.835 -11.874 -25.336 274 2HE LYS 40 2HE LYS 40 8.205 -12.939 -25.054 275 1HZ LYS 40 1HZ LYS 40 6.456 -14.049 -26.287 276 2HZ LYS 40 2HZ LYS 40 5.335 -13.761 -25.108 277 3HZ LYS 40 3HZ LYS 40 6.594 -14.790 -24.817 278 H GLU 41 H GLU 41 5.000 -8.313 -21.177 279 HA GLU 41 HA GLU 41 7.886 -7.761 -20.937 280 1HB GLU 41 1HB GLU 41 7.422 -5.776 -21.808 281 2HB GLU 41 2HB GLU 41 6.356 -5.342 -20.488 282 1HG GLU 41 1HG GLU 41 5.540 -6.848 -23.050 283 2HG GLU 41 2HG GLU 41 4.469 -6.620 -21.685 284 H LEU 42 H LEU 42 5.096 -7.334 -18.774 285 HA LEU 42 HA LEU 42 6.325 -6.126 -16.458 286 1HB LEU 42 1HB LEU 42 3.897 -6.428 -16.586 287 2HB LEU 42 2HB LEU 42 4.042 -8.171 -16.641 288 HG LEU 42 HG LEU 42 3.543 -6.599 -14.359 289 1HD1 LEU 42 1HD1 LEU 42 6.389 -7.729 -14.009 290 2HD1 LEU 42 2HD1 LEU 42 6.039 -6.015 -14.281 291 3HD1 LEU 42 3HD1 LEU 42 5.432 -6.820 -12.813 292 1HD2 LEU 42 1HD2 LEU 42 3.541 -8.724 -13.107 293 2HD2 LEU 42 2HD2 LEU 42 2.936 -9.055 -14.750 294 3HD2 LEU 42 3HD2 LEU 42 4.596 -9.502 -14.316 295 H GLY 43 H GLY 43 6.011 -9.569 -17.335 296 1HA GLY 43 1HA GLY 43 7.286 -11.532 -16.684 297 2HA GLY 43 2HA GLY 43 7.082 -10.886 -15.052 298 H THR 44 H THR 44 8.794 -9.060 -17.497 299 HA THR 44 HA THR 44 11.496 -10.110 -17.015 300 HB THR 44 HB THR 44 10.348 -7.897 -18.645 301 HG1 THR 44 HG1 THR 44 12.647 -9.333 -19.247 302 1HG2 THR 44 1HG2 THR 44 12.553 -6.817 -19.122 303 2HG2 THR 44 2HG2 THR 44 12.032 -6.503 -17.453 304 3HG2 THR 44 3HG2 THR 44 13.299 -7.714 -17.776 305 H VAL 45 H VAL 45 10.064 -6.940 -16.170 306 HA VAL 45 HA VAL 45 12.250 -5.935 -14.553 307 HB VAL 45 HB VAL 45 9.435 -5.108 -15.012 308 1HG1 VAL 45 1HG1 VAL 45 9.288 -3.537 -13.079 309 2HG1 VAL 45 2HG1 VAL 45 9.314 -5.210 -12.510 310 3HG1 VAL 45 3HG1 VAL 45 10.781 -4.215 -12.379 311 1HG2 VAL 45 1HG2 VAL 45 12.021 -3.463 -14.611 312 2HG2 VAL 45 2HG2 VAL 45 11.337 -3.961 -16.176 313 3HG2 VAL 45 3HG2 VAL 45 10.447 -2.824 -15.153 314 H MET 46 H MET 46 9.485 -7.999 -13.807 315 HA MET 46 HA MET 46 9.587 -7.906 -10.869 316 1HB MET 46 1HB MET 46 8.401 -10.276 -11.135 317 2HB MET 46 2HB MET 46 8.336 -9.866 -12.839 318 1HG MET 46 1HG MET 46 7.302 -7.518 -11.703 319 2HG MET 46 2HG MET 46 6.343 -8.859 -12.353 320 1HE MET 46 1HE MET 46 6.289 -6.540 -9.606 321 2HE MET 46 2HE MET 46 6.408 -7.428 -8.059 322 3HE MET 46 3HE MET 46 7.870 -7.179 -9.057 323 NH1 ARG 47 NH1 ARG 47 16.647 -14.565 -16.619 324 NH2 ARG 47 NH2 ARG 47 17.678 -15.232 -14.706 325 H ARG 47 H ARG 47 11.068 -9.985 -13.330 326 HA ARG 47 HA ARG 47 12.388 -12.010 -11.795 327 1HB ARG 47 1HB ARG 47 14.127 -10.860 -13.939 328 2HB ARG 47 2HB ARG 47 12.481 -11.194 -14.459 329 1HG ARG 47 1HG ARG 47 13.946 -13.368 -12.898 330 2HG ARG 47 2HG ARG 47 12.630 -13.524 -14.063 331 1HD ARG 47 1HD ARG 47 14.091 -13.775 -15.825 332 2HD ARG 47 2HD ARG 47 14.928 -12.287 -15.408 333 HE ARG 47 HE ARG 47 15.940 -14.111 -13.492 334 1HH1 ARG 47 1HH1 ARG 47 15.865 -14.059 -17.049 335 2HH1 ARG 47 2HH1 ARG 47 17.405 -15.055 -17.107 336 1HH2 ARG 47 1HH2 ARG 47 17.685 -15.237 -13.680 337 2HH2 ARG 47 2HH2 ARG 47 18.364 -15.674 -15.328 338 H MET 48 H MET 48 13.699 -8.816 -12.730 339 HA MET 48 HA MET 48 16.254 -8.906 -11.430 340 1HB MET 48 1HB MET 48 15.108 -6.976 -12.929 341 2HB MET 48 2HB MET 48 16.525 -6.709 -11.930 342 1HG MET 48 1HG MET 48 14.051 -6.218 -10.360 343 2HG MET 48 2HG MET 48 14.097 -5.241 -11.837 344 1HE MET 48 1HE MET 48 14.089 -3.465 -9.398 345 2HE MET 48 2HE MET 48 15.544 -2.447 -9.607 346 3HE MET 48 3HE MET 48 14.521 -2.839 -11.020 347 H LEU 49 H LEU 49 13.055 -8.247 -10.110 348 HA LEU 49 HA LEU 49 13.565 -7.108 -7.548 349 1HB LEU 49 1HB LEU 49 11.524 -9.365 -7.766 350 2HB LEU 49 2HB LEU 49 11.288 -7.916 -8.719 351 HG LEU 49 HG LEU 49 11.123 -6.497 -6.723 352 1HD1 LEU 49 1HD1 LEU 49 11.706 -8.972 -4.979 353 2HD1 LEU 49 2HD1 LEU 49 12.892 -7.703 -5.340 354 3HD1 LEU 49 3HD1 LEU 49 11.424 -7.305 -4.414 355 1HD2 LEU 49 1HD2 LEU 49 9.058 -7.355 -5.698 356 2HD2 LEU 49 2HD2 LEU 49 9.044 -7.855 -7.407 357 3HD2 LEU 49 3HD2 LEU 49 9.456 -9.032 -6.151 358 H GLY 50 H GLY 50 13.407 -10.596 -8.333 359 1HA GLY 50 1HA GLY 50 14.764 -11.447 -5.767 360 2HA GLY 50 2HA GLY 50 15.808 -11.519 -7.192 361 H GLN 51 H GLN 51 12.320 -12.143 -7.035 362 HA GLN 51 HA GLN 51 12.591 -15.139 -7.144 363 1HB GLN 51 1HB GLN 51 10.623 -13.469 -6.138 364 2HB GLN 51 2HB GLN 51 9.915 -13.898 -7.685 365 1HG GLN 51 1HG GLN 51 9.806 -16.234 -7.162 366 2HG GLN 51 2HG GLN 51 11.000 -16.124 -5.888 367 1HE2 GLN 51 1HE2 GLN 51 7.040 -15.233 -5.041 368 2HE2 GLN 51 2HE2 GLN 51 7.662 -15.216 -6.767 369 H ASN 52 H ASN 52 10.907 -16.085 -8.878 370 HA ASN 52 HA ASN 52 11.026 -14.750 -11.551 371 1HB ASN 52 1HB ASN 52 12.328 -17.512 -11.420 372 2HB ASN 52 2HB ASN 52 13.280 -16.082 -11.090 373 1HD2 ASN 52 1HD2 ASN 52 13.719 -16.694 -14.730 374 2HD2 ASN 52 2HD2 ASN 52 14.187 -17.434 -13.118 375 HA PRO 53 HA PRO 53 7.251 -17.569 -11.032 376 1HB PRO 53 1HB PRO 53 5.330 -15.901 -12.095 377 2HB PRO 53 2HB PRO 53 5.985 -15.741 -10.459 378 1HG PRO 53 1HG PRO 53 6.731 -14.129 -12.940 379 2HG PRO 53 2HG PRO 53 6.445 -13.534 -11.288 380 1HD PRO 53 1HD PRO 53 8.681 -14.066 -10.628 381 2HD PRO 53 2HD PRO 53 9.003 -14.078 -12.387 382 H THR 54 H THR 54 5.469 -18.076 -12.827 383 HA THR 54 HA THR 54 6.946 -18.759 -15.402 384 HB THR 54 HB THR 54 5.743 -20.530 -13.835 385 HG1 THR 54 HG1 THR 54 5.061 -21.228 -16.301 386 1HG2 THR 54 1HG2 THR 54 3.496 -21.209 -14.613 387 2HG2 THR 54 2HG2 THR 54 3.422 -19.571 -13.924 388 3HG2 THR 54 3HG2 THR 54 3.394 -19.796 -15.691 389 H LYS 55 H LYS 55 4.909 -19.186 -17.119 390 HA LYS 55 HA LYS 55 4.124 -16.420 -17.929 391 1HB LYS 55 1HB LYS 55 3.106 -17.588 -19.960 392 2HB LYS 55 2HB LYS 55 3.537 -19.138 -19.267 393 1HG LYS 55 1HG LYS 55 5.179 -17.243 -20.794 394 2HG LYS 55 2HG LYS 55 5.986 -17.641 -19.288 395 1HD LYS 55 1HD LYS 55 5.227 -19.498 -21.614 396 2HD LYS 55 2HD LYS 55 6.789 -19.261 -20.846 397 1HE LYS 55 1HE LYS 55 5.728 -20.340 -18.699 398 2HE LYS 55 2HE LYS 55 4.418 -20.877 -19.747 399 1HZ LYS 55 1HZ LYS 55 6.452 -21.769 -21.170 400 2HZ LYS 55 2HZ LYS 55 5.867 -22.634 -19.889 401 3HZ LYS 55 3HZ LYS 55 7.234 -21.723 -19.715 402 H GLU 56 H GLU 56 2.606 -19.333 -16.652 403 HA GLU 56 HA GLU 56 -0.212 -18.431 -16.937 404 1HB GLU 56 1HB GLU 56 -0.458 -20.429 -15.121 405 2HB GLU 56 2HB GLU 56 1.152 -20.823 -15.691 406 1HG GLU 56 1HG GLU 56 -0.879 -21.981 -16.852 407 2HG GLU 56 2HG GLU 56 -1.224 -20.440 -17.618 408 H GLU 57 H GLU 57 2.285 -18.375 -14.445 409 HA GLU 57 HA GLU 57 0.566 -17.563 -12.166 410 1HB GLU 57 1HB GLU 57 2.612 -17.176 -10.904 411 2HB GLU 57 2HB GLU 57 3.591 -17.211 -12.355 412 1HG GLU 57 1HG GLU 57 2.781 -19.711 -12.656 413 2HG GLU 57 2HG GLU 57 3.997 -19.353 -11.436 414 H LEU 58 H LEU 58 2.452 -15.920 -14.647 415 HA LEU 58 HA LEU 58 2.528 -13.231 -13.465 416 1HB LEU 58 1HB LEU 58 3.296 -14.515 -16.030 417 2HB LEU 58 2HB LEU 58 2.683 -12.891 -16.265 418 HG LEU 58 HG LEU 58 4.698 -13.187 -14.030 419 1HD1 LEU 58 1HD1 LEU 58 4.657 -11.206 -16.403 420 2HD1 LEU 58 2HD1 LEU 58 3.804 -10.915 -14.880 421 3HD1 LEU 58 3HD1 LEU 58 5.579 -11.052 -14.885 422 1HD2 LEU 58 1HD2 LEU 58 6.658 -13.443 -15.505 423 2HD2 LEU 58 2HD2 LEU 58 5.558 -14.815 -15.787 424 3HD2 LEU 58 3HD2 LEU 58 5.624 -13.483 -16.956 425 H ASP 59 H ASP 59 0.278 -15.002 -15.517 426 HA ASP 59 HA ASP 59 -1.453 -12.818 -16.393 427 1HB ASP 59 1HB ASP 59 -1.489 -15.039 -17.503 428 2HB ASP 59 2HB ASP 59 -2.148 -15.789 -16.068 429 H ALA 60 H ALA 60 -1.324 -14.783 -13.476 430 HA ALA 60 HA ALA 60 -3.822 -13.779 -12.219 431 1HB ALA 60 1HB ALA 60 -2.973 -14.887 -10.158 432 2HB ALA 60 2HB ALA 60 -2.863 -15.962 -11.565 433 3HB ALA 60 3HB ALA 60 -1.395 -15.179 -10.927 434 H ILE 61 H ILE 61 -0.369 -12.970 -12.044 435 HA ILE 61 HA ILE 61 -0.297 -11.043 -9.920 436 HB ILE 61 HB ILE 61 1.444 -11.666 -12.222 437 1HG1 ILE 61 1HG1 ILE 61 2.732 -12.312 -10.465 438 2HG1 ILE 61 2HG1 ILE 61 1.583 -11.634 -9.332 439 1HG2 ILE 61 1HG2 ILE 61 2.767 -9.531 -12.231 440 2HG2 ILE 61 2HG2 ILE 61 1.127 -9.247 -12.810 441 3HG2 ILE 61 3HG2 ILE 61 1.571 -8.765 -11.156 442 1HD1 ILE 61 1HD1 ILE 61 2.722 -9.430 -9.312 443 2HD1 ILE 61 2HD1 ILE 61 3.871 -10.735 -8.950 444 3HD1 ILE 61 3HD1 ILE 61 3.867 -9.985 -10.564 445 H ILE 62 H ILE 62 -1.343 -10.747 -13.283 446 HA ILE 62 HA ILE 62 -1.861 -7.789 -13.128 447 HB ILE 62 HB ILE 62 -2.139 -9.854 -15.338 448 1HG1 ILE 62 1HG1 ILE 62 -0.378 -7.433 -14.788 449 2HG1 ILE 62 2HG1 ILE 62 0.061 -9.020 -15.383 450 1HG2 ILE 62 1HG2 ILE 62 -3.128 -8.136 -16.879 451 2HG2 ILE 62 2HG2 ILE 62 -4.230 -8.468 -15.545 452 3HG2 ILE 62 3HG2 ILE 62 -3.261 -6.977 -15.533 453 1HD1 ILE 62 1HD1 ILE 62 -1.277 -6.843 -17.096 454 2HD1 ILE 62 2HD1 ILE 62 0.401 -7.418 -17.181 455 3HD1 ILE 62 3HD1 ILE 62 -0.928 -8.504 -17.650 456 H GLU 63 H GLU 63 -3.617 -10.855 -13.046 457 HA GLU 63 HA GLU 63 -6.351 -10.087 -13.150 458 1HB GLU 63 1HB GLU 63 -5.452 -12.112 -11.057 459 2HB GLU 63 2HB GLU 63 -5.252 -12.456 -12.764 460 1HG GLU 63 1HG GLU 63 -7.564 -12.703 -13.141 461 2HG GLU 63 2HG GLU 63 -7.422 -13.285 -11.491 462 H GLU 64 H GLU 64 -4.017 -9.698 -10.538 463 HA GLU 64 HA GLU 64 -5.621 -8.994 -8.281 464 1HB GLU 64 1HB GLU 64 -2.828 -8.282 -9.146 465 2HB GLU 64 2HB GLU 64 -3.383 -9.168 -7.739 466 1HG GLU 64 1HG GLU 64 -4.316 -6.403 -7.480 467 2HG GLU 64 2HG GLU 64 -2.628 -6.363 -7.957 468 H VAL 65 H VAL 65 -3.951 -6.452 -10.133 469 HA VAL 65 HA VAL 65 -6.263 -4.546 -9.646 470 HB VAL 65 HB VAL 65 -4.351 -3.476 -8.926 471 1HG1 VAL 65 1HG1 VAL 65 -4.418 -2.450 -11.837 472 2HG1 VAL 65 2HG1 VAL 65 -5.652 -2.055 -10.625 473 3HG1 VAL 65 3HG1 VAL 65 -3.967 -1.540 -10.374 474 1HG2 VAL 65 1HG2 VAL 65 -2.108 -3.464 -9.901 475 2HG2 VAL 65 2HG2 VAL 65 -2.652 -5.159 -9.913 476 3HG2 VAL 65 3HG2 VAL 65 -2.675 -4.218 -11.411 477 H ASP 66 H ASP 66 -7.679 -5.467 -11.163 478 HA ASP 66 HA ASP 66 -7.454 -4.427 -13.939 479 1HB ASP 66 1HB ASP 66 -8.001 -7.164 -14.550 480 2HB ASP 66 2HB ASP 66 -6.611 -7.209 -13.490 481 H GLU 67 H GLU 67 -9.245 -3.419 -12.824 482 HA GLU 67 HA GLU 67 -11.769 -4.928 -12.244 483 1HB GLU 67 1HB GLU 67 -12.632 -2.342 -12.381 484 2HB GLU 67 2HB GLU 67 -10.927 -2.036 -12.115 485 1HG GLU 67 1HG GLU 67 -12.506 -2.183 -10.032 486 2HG GLU 67 2HG GLU 67 -12.548 -3.918 -10.291 487 H ASP 68 H ASP 68 -10.296 -3.161 -14.903 488 HA ASP 68 HA ASP 68 -12.714 -3.227 -16.675 489 1HB ASP 68 1HB ASP 68 -10.930 -2.532 -18.501 490 2HB ASP 68 2HB ASP 68 -11.511 -1.387 -17.313 491 H GLY 69 H GLY 69 -9.794 -5.116 -16.129 492 1HA GLY 69 1HA GLY 69 -9.268 -7.416 -16.722 493 2HA GLY 69 2HA GLY 69 -10.950 -7.598 -17.237 494 H SER 70 H SER 70 -8.721 -5.142 -18.438 495 HA SER 70 HA SER 70 -9.167 -5.733 -21.309 496 1HB SER 70 1HB SER 70 -7.298 -4.062 -21.677 497 2HB SER 70 2HB SER 70 -8.663 -3.462 -20.732 498 HG SER 70 HG SER 70 -6.867 -2.884 -19.671 499 H GLY 71 H GLY 71 -6.766 -6.605 -18.870 500 1HA GLY 71 1HA GLY 71 -5.502 -8.792 -18.994 501 2HA GLY 71 2HA GLY 71 -5.558 -8.679 -20.759 502 H THR 72 H THR 72 -4.887 -5.849 -20.834 503 HA THR 72 HA THR 72 -1.902 -5.965 -20.171 504 HB THR 72 HB THR 72 -1.836 -3.954 -21.902 505 HG1 THR 72 HG1 THR 72 -3.319 -4.199 -23.512 506 1HG2 THR 72 1HG2 THR 72 -1.323 -5.460 -23.781 507 2HG2 THR 72 2HG2 THR 72 -0.608 -6.129 -22.298 508 3HG2 THR 72 3HG2 THR 72 -2.096 -6.842 -22.974 509 H ILE 73 H ILE 73 -0.942 -4.115 -19.278 510 HA ILE 73 HA ILE 73 -2.797 -2.400 -17.576 511 HB ILE 73 HB ILE 73 0.195 -2.982 -17.315 512 1HG1 ILE 73 1HG1 ILE 73 -2.246 -3.813 -15.620 513 2HG1 ILE 73 2HG1 ILE 73 -1.186 -4.865 -16.533 514 1HG2 ILE 73 1HG2 ILE 73 0.239 -1.573 -15.261 515 2HG2 ILE 73 2HG2 ILE 73 -0.263 -0.587 -16.642 516 3HG2 ILE 73 3HG2 ILE 73 -1.475 -1.141 -15.462 517 1HD1 ILE 73 1HD1 ILE 73 -0.333 -3.327 -14.011 518 2HD1 ILE 73 2HD1 ILE 73 -0.625 -5.072 -14.171 519 3HD1 ILE 73 3HD1 ILE 73 0.755 -4.327 -15.013 520 H ASP 74 H ASP 74 -2.280 -0.112 -17.388 521 HA ASP 74 HA ASP 74 -0.829 1.189 -19.714 522 1HB ASP 74 1HB ASP 74 -2.743 1.461 -20.889 523 2HB ASP 74 2HB ASP 74 -3.019 2.795 -19.793 524 H PHE 75 H PHE 75 -1.162 3.714 -19.374 525 HA PHE 75 HA PHE 75 0.183 4.348 -16.807 526 1HB PHE 75 1HB PHE 75 0.527 5.469 -19.168 527 2HB PHE 75 2HB PHE 75 -0.875 6.434 -18.791 528 HD1 PHE 75 HD1 PHE 75 0.275 8.582 -18.708 529 HD2 PHE 75 HD2 PHE 75 1.640 5.371 -16.188 530 HE1 PHE 75 HE1 PHE 75 1.641 10.166 -17.412 531 HE2 PHE 75 HE2 PHE 75 2.994 6.975 -14.899 532 HZ PHE 75 HZ PHE 75 2.990 9.370 -15.499 533 H GLU 76 H GLU 76 -3.048 4.680 -18.158 534 HA GLU 76 HA GLU 76 -4.154 6.560 -16.172 535 1HB GLU 76 1HB GLU 76 -5.433 4.789 -18.284 536 2HB GLU 76 2HB GLU 76 -6.426 5.596 -17.090 537 1HG GLU 76 1HG GLU 76 -6.318 7.592 -18.199 538 2HG GLU 76 2HG GLU 76 -4.570 7.538 -18.295 539 H GLU 77 H GLU 77 -4.045 3.042 -16.477 540 HA GLU 77 HA GLU 77 -5.771 2.525 -14.071 541 1HB GLU 77 1HB GLU 77 -6.149 0.840 -15.573 542 2HB GLU 77 2HB GLU 77 -4.513 0.824 -16.191 543 1HG GLU 77 1HG GLU 77 -3.693 -0.505 -14.290 544 2HG GLU 77 2HG GLU 77 -5.194 -0.284 -13.398 545 H PHE 78 H PHE 78 -2.364 2.687 -14.867 546 HA PHE 78 HA PHE 78 -1.254 1.283 -12.527 547 1HB PHE 78 1HB PHE 78 0.142 3.520 -14.115 548 2HB PHE 78 2HB PHE 78 -0.019 1.898 -14.739 549 HD1 PHE 78 HD1 PHE 78 2.679 2.885 -14.511 550 HD2 PHE 78 HD2 PHE 78 0.286 1.127 -11.397 551 HE1 PHE 78 HE1 PHE 78 4.719 2.212 -13.308 552 HE2 PHE 78 HE2 PHE 78 2.336 0.446 -10.218 553 HZ PHE 78 HZ PHE 78 4.552 0.985 -11.168 554 H LEU 79 H LEU 79 -2.134 4.641 -13.237 555 HA LEU 79 HA LEU 79 -1.084 5.806 -10.715 556 1HB LEU 79 1HB LEU 79 -2.321 7.879 -11.391 557 2HB LEU 79 2HB LEU 79 -3.120 7.010 -12.684 558 HG LEU 79 HG LEU 79 -0.697 6.530 -13.626 559 1HD1 LEU 79 1HD1 LEU 79 -0.010 8.956 -11.850 560 2HD1 LEU 79 2HD1 LEU 79 0.511 7.294 -11.516 561 3HD1 LEU 79 3HD1 LEU 79 1.076 8.120 -12.989 562 1HD2 LEU 79 1HD2 LEU 79 -0.713 8.607 -14.940 563 2HD2 LEU 79 2HD2 LEU 79 -2.412 8.161 -14.648 564 3HD2 LEU 79 3HD2 LEU 79 -1.669 9.459 -13.701 565 H VAL 80 H VAL 80 -4.155 4.492 -11.818 566 HA VAL 80 HA VAL 80 -5.882 5.415 -9.645 567 HB VAL 80 HB VAL 80 -6.429 4.173 -11.976 568 1HG1 VAL 80 1HG1 VAL 80 -7.386 1.890 -11.595 569 2HG1 VAL 80 2HG1 VAL 80 -5.641 1.895 -11.307 570 3HG1 VAL 80 3HG1 VAL 80 -6.761 1.886 -9.926 571 1HG2 VAL 80 1HG2 VAL 80 -8.309 3.995 -9.530 572 2HG2 VAL 80 2HG2 VAL 80 -8.135 5.414 -10.589 573 3HG2 VAL 80 3HG2 VAL 80 -8.793 3.905 -11.241 574 H MET 81 H MET 81 -3.974 2.441 -10.129 575 HA MET 81 HA MET 81 -4.663 1.028 -7.647 576 1HB MET 81 1HB MET 81 -3.388 -0.600 -8.524 577 2HB MET 81 2HB MET 81 -3.048 0.453 -9.885 578 1HG MET 81 1HG MET 81 -1.298 0.562 -7.359 579 2HG MET 81 2HG MET 81 -0.920 1.171 -8.979 580 1HE MET 81 1HE MET 81 1.329 -0.371 -7.916 581 2HE MET 81 2HE MET 81 1.632 -1.734 -9.035 582 3HE MET 81 3HE MET 81 1.264 -0.112 -9.688 583 H MET 82 H MET 82 -1.800 2.992 -8.508 584 HA MET 82 HA MET 82 -0.497 2.934 -5.907 585 1HB MET 82 1HB MET 82 -0.203 4.681 -8.366 586 2HB MET 82 2HB MET 82 0.522 5.255 -6.877 587 1HG MET 82 1HG MET 82 1.862 3.669 -8.618 588 2HG MET 82 2HG MET 82 1.091 2.374 -7.693 589 1HE MET 82 1HE MET 82 3.534 1.431 -5.803 590 2HE MET 82 2HE MET 82 4.746 2.477 -6.602 591 3HE MET 82 3HE MET 82 3.455 1.709 -7.572 592 H VAL 83 H VAL 83 -3.101 4.899 -7.179 593 HA VAL 83 HA VAL 83 -2.938 7.188 -5.354 594 HB VAL 83 HB VAL 83 -4.728 6.346 -7.498 595 1HG1 VAL 83 1HG1 VAL 83 -4.388 9.156 -6.276 596 2HG1 VAL 83 2HG1 VAL 83 -3.225 8.443 -7.402 597 3HG1 VAL 83 3HG1 VAL 83 -4.897 8.738 -7.932 598 1HG2 VAL 83 1HG2 VAL 83 -6.860 7.322 -6.815 599 2HG2 VAL 83 2HG2 VAL 83 -6.443 6.116 -5.576 600 3HG2 VAL 83 3HG2 VAL 83 -6.209 7.837 -5.238 601 NH1 ARG 84 NH1 ARG 84 -10.591 0.281 -5.491 602 NH2 ARG 84 NH2 ARG 84 -10.184 -0.550 -3.416 603 H ARG 84 H ARG 84 -4.734 4.118 -5.301 604 HA ARG 84 HA ARG 84 -6.419 4.613 -2.933 605 1HB ARG 84 1HB ARG 84 -5.556 2.071 -4.405 606 2HB ARG 84 2HB ARG 84 -6.390 1.963 -2.862 607 1HG ARG 84 1HG ARG 84 -7.628 3.727 -5.014 608 2HG ARG 84 2HG ARG 84 -8.419 2.882 -3.681 609 1HD ARG 84 1HD ARG 84 -8.731 1.907 -6.095 610 2HD ARG 84 2HD ARG 84 -7.069 1.326 -5.981 611 HE ARG 84 HE ARG 84 -7.787 -0.191 -4.107 612 1HH1 ARG 84 1HH1 ARG 84 -10.218 0.739 -6.330 613 2HH1 ARG 84 2HH1 ARG 84 -11.560 -0.018 -5.333 614 1HH2 ARG 84 1HH2 ARG 84 -9.501 -0.724 -2.671 615 2HH2 ARG 84 2HH2 ARG 84 -11.181 -0.794 -3.406 616 H GLN 85 H GLN 85 -3.198 3.193 -3.412 617 HA GLN 85 HA GLN 85 -2.849 2.224 -0.617 618 1HB GLN 85 1HB GLN 85 -0.916 2.503 -2.978 619 2HB GLN 85 2HB GLN 85 -0.368 2.017 -1.384 620 1HG GLN 85 1HG GLN 85 -2.618 0.319 -1.932 621 2HG GLN 85 2HG GLN 85 -1.757 0.426 -3.452 622 1HE2 GLN 85 1HE2 GLN 85 0.253 -1.296 -0.222 623 2HE2 GLN 85 2HE2 GLN 85 -0.958 0.055 0.053 624 H MET 86 H MET 86 -2.073 5.136 -2.439 625 HA MET 86 HA MET 86 -0.131 6.351 -0.590 626 1HB MET 86 1HB MET 86 0.125 7.864 -2.227 627 2HB MET 86 2HB MET 86 -1.030 6.934 -3.163 628 1HG MET 86 1HG MET 86 -2.900 8.339 -2.616 629 2HG MET 86 2HG MET 86 -2.060 9.108 -1.262 630 1HE MET 86 1HE MET 86 -3.497 10.068 -4.390 631 2HE MET 86 2HE MET 86 -2.228 10.649 -5.509 632 3HE MET 86 3HE MET 86 -2.434 8.895 -5.229 633 H LYS 87 H LYS 87 -3.643 6.590 -1.018 634 HA LYS 87 HA LYS 87 -4.437 8.640 0.794 635 1HB LYS 87 1HB LYS 87 -5.821 5.911 0.422 636 2HB LYS 87 2HB LYS 87 -6.504 7.251 1.331 637 1HG LYS 87 1HG LYS 87 -6.224 6.932 -1.648 638 2HG LYS 87 2HG LYS 87 -5.968 8.563 -1.051 639 1HD LYS 87 1HD LYS 87 -8.437 7.408 -1.679 640 2HD LYS 87 2HD LYS 87 -8.382 7.162 0.062 641 1HE LYS 87 1HE LYS 87 -9.325 9.282 0.151 642 2HE LYS 87 2HE LYS 87 -7.652 9.835 -0.001 643 1HZ LYS 87 1HZ LYS 87 -9.738 9.723 -2.076 644 2HZ LYS 87 2HZ LYS 87 -8.155 9.631 -2.542 645 3HZ LYS 87 3HZ LYS 87 -8.694 10.948 -1.702 646 H GLU 88 H GLU 88 -4.822 8.777 2.973 647 HA GLU 88 HA GLU 88 -3.312 6.788 4.747 648 1HB GLU 88 1HB GLU 88 -3.940 9.677 5.518 649 2HB GLU 88 2HB GLU 88 -2.854 8.559 6.320 650 1HG GLU 88 1HG GLU 88 -1.137 9.455 5.123 651 2HG GLU 88 2HG GLU 88 -1.805 8.735 3.668 652 H ASP 89 H ASP 89 -5.269 5.493 4.589 653 HA ASP 89 HA ASP 89 -7.875 6.180 5.703 654 1HB ASP 89 1HB ASP 89 -8.309 3.790 5.971 655 2HB ASP 89 2HB ASP 89 -6.608 3.397 5.892 656 H ALA 90 H ALA 90 -8.286 6.923 7.619 657 HA ALA 90 HA ALA 90 -8.379 7.186 10.017 658 1HB ALA 90 1HB ALA 90 -7.464 5.348 11.458 659 2HB ALA 90 2HB ALA 90 -8.438 4.681 10.133 660 3HB ALA 90 3HB ALA 90 -6.661 4.605 10.052 Start of MODEL 4 Raw file had 660 H/Q atoms Start of MODEL 4 1 1H ALA 1 1H ALA 1 -18.113 0.292 -20.547 2 2H ALA 1 2H ALA 1 -18.203 1.868 -19.967 3 3H ALA 1 3H ALA 1 -18.455 1.558 -21.600 4 HA ALA 1 HA ALA 1 -15.991 1.679 -20.050 5 1HB ALA 1 1HB ALA 1 -15.532 -0.503 -20.718 6 2HB ALA 1 2HB ALA 1 -14.989 0.326 -22.190 7 3HB ALA 1 3HB ALA 1 -16.596 -0.445 -22.144 8 H SER 2 H SER 2 -16.418 3.906 -20.470 9 HA SER 2 HA SER 2 -15.481 4.853 -23.202 10 1HB SER 2 1HB SER 2 -17.922 6.258 -22.052 11 2HB SER 2 2HB SER 2 -17.297 6.258 -23.703 12 HG SER 2 HG SER 2 -18.853 4.859 -23.862 13 H MET 3 H MET 3 -16.857 6.158 -20.158 14 HA MET 3 HA MET 3 -14.876 8.399 -19.970 15 1HB MET 3 1HB MET 3 -16.865 7.493 -17.817 16 2HB MET 3 2HB MET 3 -16.038 9.036 -17.910 17 1HG MET 3 1HG MET 3 -17.993 8.105 -20.103 18 2HG MET 3 2HG MET 3 -18.518 8.975 -18.655 19 1HE MET 3 1HE MET 3 -15.881 10.409 -22.136 20 2HE MET 3 2HE MET 3 -17.604 10.060 -22.466 21 3HE MET 3 3HE MET 3 -16.550 8.781 -21.797 22 H THR 4 H THR 4 -14.339 8.418 -17.257 23 HA THR 4 HA THR 4 -12.962 5.845 -16.499 24 HB THR 4 HB THR 4 -11.424 8.333 -17.240 25 HG1 THR 4 HG1 THR 4 -11.620 6.882 -18.793 26 1HG2 THR 4 1HG2 THR 4 -10.660 6.551 -14.995 27 2HG2 THR 4 2HG2 THR 4 -9.902 8.060 -15.552 28 3HG2 THR 4 3HG2 THR 4 -9.467 6.507 -16.311 29 H ASP 5 H ASP 5 -14.935 6.366 -15.087 30 HA ASP 5 HA ASP 5 -14.497 8.335 -12.847 31 1HB ASP 5 1HB ASP 5 -16.782 8.112 -13.733 32 2HB ASP 5 2HB ASP 5 -16.710 7.720 -12.029 33 H GLN 6 H GLN 6 -12.715 5.934 -13.288 34 HA GLN 6 HA GLN 6 -13.298 4.045 -10.995 35 1HB GLN 6 1HB GLN 6 -10.686 3.594 -12.224 36 2HB GLN 6 2HB GLN 6 -11.871 3.853 -13.490 37 1HG GLN 6 1HG GLN 6 -12.759 1.963 -11.317 38 2HG GLN 6 2HG GLN 6 -13.038 1.889 -13.042 39 1HE2 GLN 6 1HE2 GLN 6 -9.367 0.609 -13.271 40 2HE2 GLN 6 2HE2 GLN 6 -10.015 2.310 -13.501 41 H GLN 7 H GLN 7 -10.497 6.004 -12.067 42 HA GLN 7 HA GLN 7 -9.509 6.207 -9.167 43 1HB GLN 7 1HB GLN 7 -7.665 7.066 -11.388 44 2HB GLN 7 2HB GLN 7 -7.345 6.204 -9.890 45 1HG GLN 7 1HG GLN 7 -8.393 4.993 -12.508 46 2HG GLN 7 2HG GLN 7 -6.837 4.697 -11.748 47 1HE2 GLN 7 1HE2 GLN 7 -8.874 1.737 -10.783 48 2HE2 GLN 7 2HE2 GLN 7 -7.958 2.438 -12.209 49 H ALA 8 H ALA 8 -11.573 7.900 -10.669 50 HA ALA 8 HA ALA 8 -10.621 10.555 -11.285 51 1HB ALA 8 1HB ALA 8 -12.950 11.320 -10.852 52 2HB ALA 8 2HB ALA 8 -12.927 9.818 -11.795 53 3HB ALA 8 3HB ALA 8 -13.345 9.774 -10.063 54 H GLU 9 H GLU 9 -11.285 8.972 -8.210 55 HA GLU 9 HA GLU 9 -11.104 11.414 -6.508 56 1HB GLU 9 1HB GLU 9 -11.571 10.084 -4.640 57 2HB GLU 9 2HB GLU 9 -12.435 9.272 -5.938 58 1HG GLU 9 1HG GLU 9 -9.631 8.304 -5.127 59 2HG GLU 9 2HG GLU 9 -10.846 7.441 -6.063 60 H ALA 10 H ALA 10 -8.931 8.883 -7.613 61 HA ALA 10 HA ALA 10 -6.731 9.318 -5.709 62 1HB ALA 10 1HB ALA 10 -5.386 7.900 -7.250 63 2HB ALA 10 2HB ALA 10 -6.980 7.186 -6.941 64 3HB ALA 10 3HB ALA 10 -6.655 7.995 -8.495 65 NH1 ARG 11 NH1 ARG 11 -6.828 11.821 -15.952 66 NH2 ARG 11 NH2 ARG 11 -7.133 9.788 -14.988 67 H ARG 11 H ARG 11 -7.492 10.560 -8.938 68 HA ARG 11 HA ARG 11 -4.904 11.957 -9.439 69 1HB ARG 11 1HB ARG 11 -6.807 11.129 -11.156 70 2HB ARG 11 2HB ARG 11 -7.487 12.721 -10.853 71 1HG ARG 11 1HG ARG 11 -5.279 13.796 -11.514 72 2HG ARG 11 2HG ARG 11 -4.650 12.201 -11.933 73 1HD ARG 11 1HD ARG 11 -6.901 13.767 -13.300 74 2HD ARG 11 2HD ARG 11 -5.435 13.108 -14.030 75 HE ARG 11 HE ARG 11 -7.542 11.180 -12.938 76 1HH1 ARG 11 1HH1 ARG 11 -7.255 9.247 -14.124 77 2HH1 ARG 11 2HH1 ARG 11 -7.139 9.424 -15.947 78 1HH2 ARG 11 1HH2 ARG 11 -6.638 12.821 -15.823 79 2HH2 ARG 11 2HH2 ARG 11 -6.933 11.326 -16.844 80 H ALA 12 H ALA 12 -8.076 12.794 -8.134 81 HA ALA 12 HA ALA 12 -7.623 15.711 -7.812 82 1HB ALA 12 1HB ALA 12 -9.660 15.667 -6.387 83 2HB ALA 12 2HB ALA 12 -9.918 14.785 -7.906 84 3HB ALA 12 3HB ALA 12 -9.662 13.886 -6.389 85 H PHE 13 H PHE 13 -6.974 12.815 -5.917 86 HA PHE 13 HA PHE 13 -6.499 13.975 -3.303 87 1HB PHE 13 1HB PHE 13 -5.185 11.457 -4.475 88 2HB PHE 13 2HB PHE 13 -6.812 11.510 -3.847 89 HD1 PHE 13 HD1 PHE 13 -6.632 10.085 -1.906 90 HD2 PHE 13 HD2 PHE 13 -3.751 13.244 -2.412 91 HE1 PHE 13 HE1 PHE 13 -5.736 9.645 0.344 92 HE2 PHE 13 HE2 PHE 13 -2.867 12.784 -0.163 93 HZ PHE 13 HZ PHE 13 -3.857 10.991 1.220 94 H LEU 14 H LEU 14 -4.190 13.076 -5.888 95 HA LEU 14 HA LEU 14 -2.027 14.857 -4.624 96 1HB LEU 14 1HB LEU 14 -0.597 13.263 -6.346 97 2HB LEU 14 2HB LEU 14 -0.781 12.975 -4.629 98 HG LEU 14 HG LEU 14 -2.815 11.460 -5.191 99 1HD1 LEU 14 1HD1 LEU 14 -2.962 10.555 -7.513 100 2HD1 LEU 14 2HD1 LEU 14 -3.272 12.301 -7.500 101 3HD1 LEU 14 3HD1 LEU 14 -1.698 11.685 -8.062 102 1HD2 LEU 14 1HD2 LEU 14 -0.039 10.588 -6.245 103 2HD2 LEU 14 2HD2 LEU 14 -0.610 10.459 -4.563 104 3HD2 LEU 14 3HD2 LEU 14 -1.384 9.494 -5.829 105 H SER 15 H SER 15 -1.235 16.453 -5.797 106 HA SER 15 HA SER 15 -2.665 17.417 -8.198 107 1HB SER 15 1HB SER 15 -0.041 18.680 -7.370 108 2HB SER 15 2HB SER 15 -1.545 19.432 -7.908 109 HG SER 15 HG SER 15 -0.950 19.500 -5.602 110 H GLU 16 H GLU 16 -0.637 18.545 -9.719 111 HA GLU 16 HA GLU 16 0.169 16.263 -11.460 112 1HB GLU 16 1HB GLU 16 -0.698 18.329 -12.458 113 2HB GLU 16 2HB GLU 16 0.604 19.281 -11.772 114 1HG GLU 16 1HG GLU 16 0.745 17.234 -14.055 115 2HG GLU 16 2HG GLU 16 2.206 17.670 -13.185 116 H GLU 17 H GLU 17 1.690 18.516 -9.240 117 HA GLU 17 HA GLU 17 4.506 18.099 -9.995 118 1HB GLU 17 1HB GLU 17 3.290 19.142 -7.395 119 2HB GLU 17 2HB GLU 17 5.020 18.934 -7.583 120 1HG GLU 17 1HG GLU 17 4.839 20.488 -9.689 121 2HG GLU 17 2HG GLU 17 3.187 20.815 -9.193 122 H MET 18 H MET 18 2.273 16.468 -7.808 123 HA MET 18 HA MET 18 4.343 14.670 -6.564 124 1HB MET 18 1HB MET 18 2.585 13.742 -5.206 125 2HB MET 18 2HB MET 18 1.322 14.303 -6.287 126 1HG MET 18 1HG MET 18 1.080 15.929 -4.653 127 2HG MET 18 2HG MET 18 2.317 16.757 -5.615 128 1HE MET 18 1HE MET 18 4.453 17.653 -4.643 129 2HE MET 18 2HE MET 18 5.509 16.696 -3.562 130 3HE MET 18 3HE MET 18 5.084 16.064 -5.180 131 H ILE 19 H ILE 19 1.847 14.578 -9.052 132 HA ILE 19 HA ILE 19 1.750 11.727 -9.611 133 HB ILE 19 HB ILE 19 0.978 14.188 -11.152 134 1HG1 ILE 19 1HG1 ILE 19 -0.457 12.555 -9.507 135 2HG1 ILE 19 2HG1 ILE 19 -0.679 11.633 -10.979 136 1HG2 ILE 19 1HG2 ILE 19 0.442 12.924 -13.250 137 2HG2 ILE 19 2HG2 ILE 19 2.179 12.900 -12.953 138 3HG2 ILE 19 3HG2 ILE 19 1.206 11.457 -12.589 139 1HD1 ILE 19 1HD1 ILE 19 -1.758 13.533 -12.151 140 2HD1 ILE 19 2HD1 ILE 19 -2.565 13.214 -10.602 141 3HD1 ILE 19 3HD1 ILE 19 -1.458 14.599 -10.751 142 H ALA 20 H ALA 20 3.968 14.300 -10.576 143 HA ALA 20 HA ALA 20 5.477 13.027 -12.676 144 1HB ALA 20 1HB ALA 20 7.292 14.648 -12.136 145 2HB ALA 20 2HB ALA 20 5.701 15.434 -12.147 146 3HB ALA 20 3HB ALA 20 6.501 15.066 -10.598 147 H GLU 21 H GLU 21 5.745 12.786 -9.158 148 HA GLU 21 HA GLU 21 8.337 11.494 -8.904 149 1HB GLU 21 1HB GLU 21 6.885 12.547 -7.051 150 2HB GLU 21 2HB GLU 21 5.986 11.044 -6.994 151 1HG GLU 21 1HG GLU 21 8.398 9.919 -6.619 152 2HG GLU 21 2HG GLU 21 7.525 10.657 -5.288 153 H PHE 22 H PHE 22 5.098 10.276 -9.560 154 HA PHE 22 HA PHE 22 5.859 7.372 -9.368 155 1HB PHE 22 1HB PHE 22 3.178 8.490 -10.374 156 2HB PHE 22 2HB PHE 22 3.520 6.875 -9.815 157 HD1 PHE 22 HD1 PHE 22 2.274 10.066 -8.776 158 HD2 PHE 22 HD2 PHE 22 4.401 6.630 -7.293 159 HE1 PHE 22 HE1 PHE 22 1.769 10.738 -6.466 160 HE2 PHE 22 HE2 PHE 22 3.880 7.318 -4.988 161 HZ PHE 22 HZ PHE 22 2.582 9.378 -4.568 162 H LYS 23 H LYS 23 5.475 9.849 -11.808 163 HA LYS 23 HA LYS 23 5.108 8.303 -14.242 164 1HB LYS 23 1HB LYS 23 6.289 11.043 -13.661 165 2HB LYS 23 2HB LYS 23 6.637 10.332 -15.222 166 1HG LYS 23 1HG LYS 23 3.743 10.554 -14.228 167 2HG LYS 23 2HG LYS 23 4.317 10.278 -15.864 168 1HD LYS 23 1HD LYS 23 4.394 12.893 -14.270 169 2HD LYS 23 2HD LYS 23 3.605 12.579 -15.820 170 1HE LYS 23 1HE LYS 23 6.660 12.325 -15.596 171 2HE LYS 23 2HE LYS 23 5.916 13.920 -15.784 172 1HZ LYS 23 1HZ LYS 23 5.169 13.394 -17.890 173 2HZ LYS 23 2HZ LYS 23 5.115 11.763 -17.632 174 3HZ LYS 23 3HZ LYS 23 6.568 12.516 -17.860 175 H ALA 24 H ALA 24 8.135 9.495 -12.743 176 HA ALA 24 HA ALA 24 10.040 8.423 -14.628 177 1HB ALA 24 1HB ALA 24 11.737 8.679 -12.826 178 2HB ALA 24 2HB ALA 24 10.667 10.091 -12.906 179 3HB ALA 24 3HB ALA 24 10.457 8.889 -11.607 180 H ALA 25 H ALA 25 8.916 7.027 -11.528 181 HA ALA 25 HA ALA 25 10.463 4.523 -11.691 182 1HB ALA 25 1HB ALA 25 9.107 3.803 -9.735 183 2HB ALA 25 2HB ALA 25 9.712 5.457 -9.521 184 3HB ALA 25 3HB ALA 25 8.004 5.184 -9.949 185 H PHE 26 H PHE 26 7.401 5.566 -12.977 186 HA PHE 26 HA PHE 26 5.982 2.992 -13.168 187 1HB PHE 26 1HB PHE 26 4.629 4.962 -13.360 188 2HB PHE 26 2HB PHE 26 5.592 5.649 -14.641 189 HD1 PHE 26 HD1 PHE 26 2.733 3.554 -13.833 190 HD2 PHE 26 HD2 PHE 26 5.551 4.381 -16.977 191 HE1 PHE 26 HE1 PHE 26 1.188 2.586 -15.486 192 HE2 PHE 26 HE2 PHE 26 4.002 3.387 -18.613 193 HZ PHE 26 HZ PHE 26 1.826 2.482 -17.872 194 H ASP 27 H ASP 27 8.206 4.766 -15.281 195 HA ASP 27 HA ASP 27 8.139 2.950 -17.589 196 1HB ASP 27 1HB ASP 27 10.579 4.001 -17.967 197 2HB ASP 27 2HB ASP 27 10.090 5.107 -16.704 198 H MET 28 H MET 28 9.988 3.054 -14.590 199 HA MET 28 HA MET 28 12.036 1.018 -15.212 200 1HB MET 28 1HB MET 28 11.994 2.689 -13.182 201 2HB MET 28 2HB MET 28 10.972 1.504 -12.389 202 1HG MET 28 1HG MET 28 12.878 -0.251 -12.871 203 2HG MET 28 2HG MET 28 13.892 1.148 -13.261 204 1HE MET 28 1HE MET 28 11.587 2.863 -11.048 205 2HE MET 28 2HE MET 28 12.745 3.155 -9.716 206 3HE MET 28 3HE MET 28 13.220 3.510 -11.403 207 H PHE 29 H PHE 29 8.723 0.948 -14.004 208 HA PHE 29 HA PHE 29 8.665 -1.925 -13.228 209 1HB PHE 29 1HB PHE 29 6.119 -0.380 -13.887 210 2HB PHE 29 2HB PHE 29 7.064 0.122 -12.511 211 HD1 PHE 29 HD1 PHE 29 5.520 -0.498 -10.754 212 HD2 PHE 29 HD2 PHE 29 6.712 -3.474 -13.627 213 HE1 PHE 29 HE1 PHE 29 4.395 -2.243 -9.432 214 HE2 PHE 29 HE2 PHE 29 5.588 -5.203 -12.285 215 HZ PHE 29 HZ PHE 29 4.422 -4.593 -10.196 216 H ASP 30 H ASP 30 7.908 0.005 -16.082 217 HA ASP 30 HA ASP 30 6.651 -2.149 -17.678 218 1HB ASP 30 1HB ASP 30 6.617 0.547 -17.983 219 2HB ASP 30 2HB ASP 30 7.936 0.208 -19.079 220 H ALA 31 H ALA 31 8.084 -1.812 -20.120 221 HA ALA 31 HA ALA 31 10.895 -2.814 -19.715 222 1HB ALA 31 1HB ALA 31 10.527 -5.043 -20.780 223 2HB ALA 31 2HB ALA 31 9.626 -4.884 -19.259 224 3HB ALA 31 3HB ALA 31 8.769 -4.767 -20.818 225 H ASP 32 H ASP 32 8.135 -2.423 -21.917 226 HA ASP 32 HA ASP 32 9.805 -2.340 -24.405 227 1HB ASP 32 1HB ASP 32 7.491 -1.448 -25.425 228 2HB ASP 32 2HB ASP 32 7.808 -3.141 -25.122 229 H GLY 33 H GLY 33 7.413 0.080 -23.320 230 1HA GLY 33 1HA GLY 33 9.480 2.335 -23.493 231 2HA GLY 33 2HA GLY 33 8.079 2.406 -24.538 232 H GLY 34 H GLY 34 6.198 3.191 -23.731 233 1HA GLY 34 1HA GLY 34 5.976 4.948 -21.488 234 2HA GLY 34 2HA GLY 34 5.574 3.365 -20.811 235 H GLY 35 H GLY 35 3.455 3.603 -20.468 236 1HA GLY 35 1HA GLY 35 1.569 3.549 -22.856 237 2HA GLY 35 2HA GLY 35 1.339 4.890 -21.726 238 H ASP 36 H ASP 36 2.131 1.439 -21.275 239 HA ASP 36 HA ASP 36 0.358 1.108 -18.904 240 1HB ASP 36 1HB ASP 36 -1.142 -0.670 -20.044 241 2HB ASP 36 2HB ASP 36 -1.536 1.020 -20.250 242 H ILE 37 H ILE 37 0.513 -1.005 -18.021 243 HA ILE 37 HA ILE 37 3.066 -2.487 -18.815 244 HB ILE 37 HB ILE 37 2.011 -3.307 -16.218 245 1HG1 ILE 37 1HG1 ILE 37 2.112 -0.354 -16.615 246 2HG1 ILE 37 2HG1 ILE 37 1.353 -1.302 -15.351 247 1HG2 ILE 37 1HG2 ILE 37 4.368 -3.099 -15.531 248 2HG2 ILE 37 2HG2 ILE 37 4.274 -3.873 -17.119 249 3HG2 ILE 37 3HG2 ILE 37 4.761 -2.166 -16.995 250 1HD1 ILE 37 1HD1 ILE 37 4.328 -0.512 -15.387 251 2HD1 ILE 37 2HD1 ILE 37 3.049 0.122 -14.329 252 3HD1 ILE 37 3HD1 ILE 37 3.573 -1.569 -14.163 253 H SER 38 H SER 38 2.616 -4.854 -17.465 254 HA SER 38 HA SER 38 -0.022 -6.057 -18.288 255 1HB SER 38 1HB SER 38 1.596 -6.019 -20.366 256 2HB SER 38 2HB SER 38 0.646 -7.464 -20.011 257 HG SER 38 HG SER 38 2.397 -8.500 -19.688 258 H THR 39 H THR 39 0.765 -8.715 -18.205 259 HA THR 39 HA THR 39 1.220 -9.140 -15.261 260 HB THR 39 HB THR 39 1.023 -11.701 -16.311 261 HG1 THR 39 HG1 THR 39 0.303 -11.486 -18.207 262 1HG2 THR 39 1HG2 THR 39 -1.296 -11.746 -15.504 263 2HG2 THR 39 2HG2 THR 39 -0.315 -10.801 -14.361 264 3HG2 THR 39 3HG2 THR 39 -1.398 -9.970 -15.509 265 H LYS 40 H LYS 40 2.598 -10.568 -18.255 266 HA LYS 40 HA LYS 40 4.932 -11.785 -17.118 267 1HB LYS 40 1HB LYS 40 4.251 -12.374 -19.327 268 2HB LYS 40 2HB LYS 40 4.378 -10.752 -19.957 269 1HG LYS 40 1HG LYS 40 7.000 -11.521 -18.945 270 2HG LYS 40 2HG LYS 40 6.529 -11.207 -20.594 271 1HD LYS 40 1HD LYS 40 7.394 -13.384 -20.815 272 2HD LYS 40 2HD LYS 40 6.967 -13.791 -19.179 273 1HE LYS 40 1HE LYS 40 5.599 -15.231 -20.400 274 2HE LYS 40 2HE LYS 40 4.481 -13.970 -19.896 275 1HZ LYS 40 1HZ LYS 40 5.543 -14.556 -22.578 276 2HZ LYS 40 2HZ LYS 40 5.130 -12.991 -22.249 277 3HZ LYS 40 3HZ LYS 40 3.999 -14.188 -22.120 278 H GLU 41 H GLU 41 4.383 -8.489 -18.318 279 HA GLU 41 HA GLU 41 7.155 -7.515 -18.177 280 1HB GLU 41 1HB GLU 41 6.309 -5.290 -18.550 281 2HB GLU 41 2HB GLU 41 4.693 -5.726 -18.036 282 1HG GLU 41 1HG GLU 41 6.089 -6.585 -20.640 283 2HG GLU 41 2HG GLU 41 4.609 -7.336 -20.083 284 H LEU 42 H LEU 42 4.392 -7.418 -15.951 285 HA LEU 42 HA LEU 42 5.484 -5.615 -13.929 286 1HB LEU 42 1HB LEU 42 3.170 -7.492 -14.109 287 2HB LEU 42 2HB LEU 42 3.242 -5.842 -13.530 288 HG LEU 42 HG LEU 42 4.609 -7.246 -11.493 289 1HD1 LEU 42 1HD1 LEU 42 2.167 -8.958 -12.274 290 2HD1 LEU 42 2HD1 LEU 42 3.842 -9.430 -12.598 291 3HD1 LEU 42 3HD1 LEU 42 3.289 -9.233 -10.916 292 1HD2 LEU 42 1HD2 LEU 42 2.643 -6.748 -10.082 293 2HD2 LEU 42 2HD2 LEU 42 2.856 -5.400 -11.227 294 3HD2 LEU 42 3HD2 LEU 42 1.588 -6.606 -11.511 295 H GLY 43 H GLY 43 5.534 -9.159 -14.256 296 1HA GLY 43 1HA GLY 43 6.708 -9.921 -11.715 297 2HA GLY 43 2HA GLY 43 6.847 -10.876 -13.195 298 H THR 44 H THR 44 8.145 -8.727 -14.702 299 HA THR 44 HA THR 44 10.873 -9.568 -14.475 300 HB THR 44 HB THR 44 9.645 -7.137 -15.813 301 HG1 THR 44 HG1 THR 44 11.181 -9.260 -16.850 302 1HG2 THR 44 1HG2 THR 44 11.836 -6.608 -16.895 303 2HG2 THR 44 2HG2 THR 44 11.890 -6.289 -15.149 304 3HG2 THR 44 3HG2 THR 44 12.664 -7.752 -15.809 305 H VAL 45 H VAL 45 9.523 -6.423 -13.429 306 HA VAL 45 HA VAL 45 11.948 -5.429 -12.125 307 HB VAL 45 HB VAL 45 9.224 -4.447 -12.502 308 1HG1 VAL 45 1HG1 VAL 45 9.020 -2.989 -10.487 309 2HG1 VAL 45 2HG1 VAL 45 8.950 -4.693 -10.022 310 3HG1 VAL 45 3HG1 VAL 45 10.443 -3.768 -9.745 311 1HG2 VAL 45 1HG2 VAL 45 11.841 -2.936 -11.852 312 2HG2 VAL 45 2HG2 VAL 45 11.235 -3.310 -13.481 313 3HG2 VAL 45 3HG2 VAL 45 10.327 -2.202 -12.443 314 H MET 46 H MET 46 9.134 -7.269 -11.010 315 HA MET 46 HA MET 46 9.386 -7.132 -8.154 316 1HB MET 46 1HB MET 46 8.358 -9.412 -9.924 317 2HB MET 46 2HB MET 46 8.420 -9.567 -8.178 318 1HG MET 46 1HG MET 46 6.610 -7.801 -9.859 319 2HG MET 46 2HG MET 46 7.065 -7.201 -8.255 320 1HE MET 46 1HE MET 46 4.061 -7.579 -8.589 321 2HE MET 46 2HE MET 46 3.603 -8.631 -7.217 322 3HE MET 46 3HE MET 46 4.785 -7.313 -6.972 323 NH1 ARG 47 NH1 ARG 47 13.986 -14.631 -12.404 324 NH2 ARG 47 NH2 ARG 47 13.311 -14.056 -14.496 325 H ARG 47 H ARG 47 11.148 -9.058 -10.524 326 HA ARG 47 HA ARG 47 12.515 -11.015 -8.948 327 1HB ARG 47 1HB ARG 47 14.130 -9.600 -11.093 328 2HB ARG 47 2HB ARG 47 12.626 -10.377 -11.568 329 1HG ARG 47 1HG ARG 47 14.677 -11.943 -9.916 330 2HG ARG 47 2HG ARG 47 13.356 -12.567 -10.904 331 1HD ARG 47 1HD ARG 47 15.558 -10.942 -12.292 332 2HD ARG 47 2HD ARG 47 15.901 -12.592 -11.798 333 HE ARG 47 HE ARG 47 14.234 -11.880 -14.093 334 1HH1 ARG 47 1HH1 ARG 47 14.449 -14.344 -11.534 335 2HH1 ARG 47 2HH1 ARG 47 13.581 -15.551 -12.609 336 1HH2 ARG 47 1HH2 ARG 47 13.257 -13.334 -15.223 337 2HH2 ARG 47 2HH2 ARG 47 12.954 -15.016 -14.555 338 H MET 48 H MET 48 14.117 -8.016 -10.026 339 HA MET 48 HA MET 48 16.393 -8.115 -8.256 340 1HB MET 48 1HB MET 48 15.278 -5.389 -9.035 341 2HB MET 48 2HB MET 48 16.941 -5.918 -8.843 342 1HG MET 48 1HG MET 48 16.981 -5.901 -11.128 343 2HG MET 48 2HG MET 48 16.250 -7.508 -10.995 344 1HE MET 48 1HE MET 48 15.620 -3.619 -11.628 345 2HE MET 48 2HE MET 48 13.835 -3.542 -11.685 346 3HE MET 48 3HE MET 48 14.663 -3.886 -10.139 347 H LEU 49 H LEU 49 13.128 -6.881 -7.769 348 HA LEU 49 HA LEU 49 13.318 -5.294 -5.408 349 1HB LEU 49 1HB LEU 49 11.058 -7.332 -5.614 350 2HB LEU 49 2HB LEU 49 11.200 -6.105 -6.853 351 HG LEU 49 HG LEU 49 11.074 -5.335 -3.882 352 1HD1 LEU 49 1HD1 LEU 49 10.268 -3.143 -4.765 353 2HD1 LEU 49 2HD1 LEU 49 11.854 -3.548 -5.448 354 3HD1 LEU 49 3HD1 LEU 49 10.387 -3.743 -6.439 355 1HD2 LEU 49 1HD2 LEU 49 8.657 -5.697 -5.779 356 2HD2 LEU 49 2HD2 LEU 49 9.009 -6.673 -4.332 357 3HD2 LEU 49 3HD2 LEU 49 8.603 -4.960 -4.158 358 H GLY 50 H GLY 50 12.518 -8.785 -5.404 359 1HA GLY 50 1HA GLY 50 14.591 -9.838 -3.756 360 2HA GLY 50 2HA GLY 50 13.437 -9.198 -2.578 361 H GLN 51 H GLN 51 11.104 -9.683 -4.260 362 HA GLN 51 HA GLN 51 10.543 -12.576 -3.612 363 1HB GLN 51 1HB GLN 51 8.616 -10.762 -5.129 364 2HB GLN 51 2HB GLN 51 8.918 -10.483 -3.425 365 1HG GLN 51 1HG GLN 51 7.929 -13.163 -4.574 366 2HG GLN 51 2HG GLN 51 6.874 -11.916 -3.945 367 1HE2 GLN 51 1HE2 GLN 51 7.231 -14.120 -1.023 368 2HE2 GLN 51 2HE2 GLN 51 6.352 -13.983 -2.628 369 H ASN 52 H ASN 52 9.522 -13.919 -5.335 370 HA ASN 52 HA ASN 52 10.208 -13.319 -8.184 371 1HB ASN 52 1HB ASN 52 11.391 -15.913 -7.082 372 2HB ASN 52 2HB ASN 52 12.291 -14.418 -6.949 373 1HD2 ASN 52 1HD2 ASN 52 13.482 -15.861 -10.139 374 2HD2 ASN 52 2HD2 ASN 52 13.784 -15.761 -8.332 375 HA PRO 53 HA PRO 53 6.316 -15.941 -7.577 376 1HB PRO 53 1HB PRO 53 4.964 -14.035 -7.806 377 2HB PRO 53 2HB PRO 53 4.716 -14.699 -9.428 378 1HG PRO 53 1HG PRO 53 6.266 -13.280 -10.479 379 2HG PRO 53 2HG PRO 53 5.717 -12.178 -9.196 380 1HD PRO 53 1HD PRO 53 7.750 -12.472 -7.954 381 2HD PRO 53 2HD PRO 53 8.402 -12.956 -9.548 382 H THR 54 H THR 54 4.825 -17.009 -9.358 383 HA THR 54 HA THR 54 6.619 -18.308 -11.461 384 HB THR 54 HB THR 54 5.035 -19.522 -9.487 385 HG1 THR 54 HG1 THR 54 6.592 -20.687 -10.171 386 1HG2 THR 54 1HG2 THR 54 3.406 -20.947 -10.684 387 2HG2 THR 54 2HG2 THR 54 2.937 -19.238 -10.839 388 3HG2 THR 54 3HG2 THR 54 3.704 -20.081 -12.210 389 H LYS 55 H LYS 55 5.195 -19.209 -13.330 390 HA LYS 55 HA LYS 55 4.410 -16.930 -14.954 391 1HB LYS 55 1HB LYS 55 4.818 -19.756 -15.377 392 2HB LYS 55 2HB LYS 55 3.207 -19.419 -15.975 393 1HG LYS 55 1HG LYS 55 3.952 -18.353 -17.821 394 2HG LYS 55 2HG LYS 55 5.120 -17.378 -16.947 395 1HD LYS 55 1HD LYS 55 6.394 -18.756 -18.512 396 2HD LYS 55 2HD LYS 55 5.467 -20.194 -18.113 397 1HE LYS 55 1HE LYS 55 7.202 -18.871 -15.972 398 2HE LYS 55 2HE LYS 55 6.599 -20.526 -16.002 399 1HZ LYS 55 1HZ LYS 55 8.358 -21.166 -17.245 400 2HZ LYS 55 2HZ LYS 55 9.062 -19.735 -16.813 401 3HZ LYS 55 3HZ LYS 55 8.290 -19.870 -18.267 402 H GLU 56 H GLU 56 2.386 -19.596 -13.677 403 HA GLU 56 HA GLU 56 -0.185 -18.315 -14.378 404 1HB GLU 56 1HB GLU 56 0.545 -20.801 -12.777 405 2HB GLU 56 2HB GLU 56 -1.105 -20.211 -12.778 406 1HG GLU 56 1HG GLU 56 0.180 -20.540 -15.509 407 2HG GLU 56 2HG GLU 56 -1.482 -20.817 -15.017 408 H GLU 57 H GLU 57 1.848 -18.527 -11.507 409 HA GLU 57 HA GLU 57 -0.001 -17.657 -9.443 410 1HB GLU 57 1HB GLU 57 2.287 -16.679 -8.396 411 2HB GLU 57 2HB GLU 57 3.003 -17.672 -9.647 412 1HG GLU 57 1HG GLU 57 1.122 -19.438 -8.421 413 2HG GLU 57 2HG GLU 57 2.871 -19.461 -8.234 414 H LEU 58 H LEU 58 1.899 -15.881 -11.817 415 HA LEU 58 HA LEU 58 1.771 -13.199 -10.688 416 1HB LEU 58 1HB LEU 58 2.496 -14.424 -13.320 417 2HB LEU 58 2HB LEU 58 1.891 -12.785 -13.446 418 HG LEU 58 HG LEU 58 4.368 -13.801 -11.947 419 1HD1 LEU 58 1HD1 LEU 58 3.292 -10.917 -11.670 420 2HD1 LEU 58 2HD1 LEU 58 3.114 -12.145 -10.409 421 3HD1 LEU 58 3HD1 LEU 58 4.740 -11.606 -10.893 422 1HD2 LEU 58 1HD2 LEU 58 5.576 -12.202 -13.386 423 2HD2 LEU 58 2HD2 LEU 58 4.513 -13.195 -14.414 424 3HD2 LEU 58 3HD2 LEU 58 4.047 -11.532 -14.010 425 H ASP 59 H ASP 59 -0.377 -15.062 -12.790 426 HA ASP 59 HA ASP 59 -2.214 -13.063 -13.723 427 1HB ASP 59 1HB ASP 59 -2.789 -16.010 -13.083 428 2HB ASP 59 2HB ASP 59 -2.287 -15.340 -14.618 429 H ALA 60 H ALA 60 -1.984 -14.688 -10.610 430 HA ALA 60 HA ALA 60 -4.581 -13.784 -9.505 431 1HB ALA 60 1HB ALA 60 -3.736 -14.696 -7.348 432 2HB ALA 60 2HB ALA 60 -3.488 -15.844 -8.678 433 3HB ALA 60 3HB ALA 60 -2.110 -14.911 -8.039 434 H ILE 61 H ILE 61 -1.212 -12.695 -9.274 435 HA ILE 61 HA ILE 61 -1.410 -10.554 -7.319 436 HB ILE 61 HB ILE 61 0.517 -11.287 -9.448 437 1HG1 ILE 61 1HG1 ILE 61 0.476 -11.029 -6.572 438 2HG1 ILE 61 2HG1 ILE 61 1.752 -11.666 -7.588 439 1HG2 ILE 61 1HG2 ILE 61 1.689 -9.069 -9.573 440 2HG2 ILE 61 2HG2 ILE 61 0.074 -8.956 -10.268 441 3HG2 ILE 61 3HG2 ILE 61 0.379 -8.303 -8.642 442 1HD1 ILE 61 1HD1 ILE 61 1.533 -8.717 -6.737 443 2HD1 ILE 61 2HD1 ILE 61 2.704 -9.929 -6.174 444 3HD1 ILE 61 3HD1 ILE 61 2.760 -9.367 -7.860 445 H ILE 62 H ILE 62 -2.239 -10.766 -10.749 446 HA ILE 62 HA ILE 62 -2.941 -7.860 -11.041 447 HB ILE 62 HB ILE 62 -3.212 -10.209 -12.982 448 1HG1 ILE 62 1HG1 ILE 62 -1.029 -8.283 -12.375 449 2HG1 ILE 62 2HG1 ILE 62 -0.975 -9.802 -13.244 450 1HG2 ILE 62 1HG2 ILE 62 -3.818 -8.552 -14.767 451 2HG2 ILE 62 2HG2 ILE 62 -5.038 -8.555 -13.496 452 3HG2 ILE 62 3HG2 ILE 62 -3.846 -7.238 -13.565 453 1HD1 ILE 62 1HD1 ILE 62 -1.744 -7.109 -14.518 454 2HD1 ILE 62 2HD1 ILE 62 -0.251 -8.040 -14.757 455 3HD1 ILE 62 3HD1 ILE 62 -1.797 -8.684 -15.356 456 H GLU 63 H GLU 63 -4.507 -10.937 -10.384 457 HA GLU 63 HA GLU 63 -7.253 -10.555 -10.817 458 1HB GLU 63 1HB GLU 63 -6.028 -12.542 -9.673 459 2HB GLU 63 2HB GLU 63 -6.282 -11.703 -8.155 460 1HG GLU 63 1HG GLU 63 -8.658 -12.001 -8.226 461 2HG GLU 63 2HG GLU 63 -8.695 -12.206 -9.969 462 H GLU 64 H GLU 64 -5.859 -9.833 -7.601 463 HA GLU 64 HA GLU 64 -8.100 -7.936 -6.973 464 1HB GLU 64 1HB GLU 64 -5.907 -9.258 -5.365 465 2HB GLU 64 2HB GLU 64 -7.645 -9.303 -5.143 466 1HG GLU 64 1HG GLU 64 -6.999 -6.562 -4.693 467 2HG GLU 64 2HG GLU 64 -5.625 -7.421 -4.018 468 H VAL 65 H VAL 65 -7.565 -6.401 -8.616 469 HA VAL 65 HA VAL 65 -6.331 -3.978 -7.795 470 HB VAL 65 HB VAL 65 -4.228 -4.191 -9.524 471 1HG1 VAL 65 1HG1 VAL 65 -4.155 -6.913 -8.071 472 2HG1 VAL 65 2HG1 VAL 65 -4.596 -6.720 -9.778 473 3HG1 VAL 65 3HG1 VAL 65 -2.965 -6.265 -9.228 474 1HG2 VAL 65 1HG2 VAL 65 -2.735 -4.109 -7.591 475 2HG2 VAL 65 2HG2 VAL 65 -4.231 -3.278 -7.103 476 3HG2 VAL 65 3HG2 VAL 65 -3.918 -4.926 -6.541 477 H ASP 66 H ASP 66 -6.883 -6.238 -10.454 478 HA ASP 66 HA ASP 66 -7.656 -3.960 -12.346 479 1HB ASP 66 1HB ASP 66 -6.085 -6.293 -12.850 480 2HB ASP 66 2HB ASP 66 -7.616 -6.604 -13.635 481 H GLU 67 H GLU 67 -9.443 -4.013 -10.611 482 HA GLU 67 HA GLU 67 -11.639 -6.040 -11.019 483 1HB GLU 67 1HB GLU 67 -11.882 -3.539 -9.292 484 2HB GLU 67 2HB GLU 67 -10.884 -4.880 -8.764 485 1HG GLU 67 1HG GLU 67 -13.286 -4.846 -7.854 486 2HG GLU 67 2HG GLU 67 -13.876 -5.147 -9.479 487 H ASP 68 H ASP 68 -10.932 -4.594 -13.343 488 HA ASP 68 HA ASP 68 -13.420 -2.898 -13.873 489 1HB ASP 68 1HB ASP 68 -12.018 -1.107 -13.997 490 2HB ASP 68 2HB ASP 68 -11.799 -1.686 -15.632 491 H GLY 69 H GLY 69 -10.659 -4.155 -15.779 492 1HA GLY 69 1HA GLY 69 -12.620 -5.395 -17.795 493 2HA GLY 69 2HA GLY 69 -11.317 -6.386 -17.125 494 H SER 70 H SER 70 -9.375 -6.341 -18.000 495 HA SER 70 HA SER 70 -8.797 -5.198 -20.613 496 1HB SER 70 1HB SER 70 -8.666 -2.996 -19.932 497 2HB SER 70 2HB SER 70 -6.978 -3.476 -19.733 498 HG SER 70 HG SER 70 -8.160 -2.359 -17.959 499 H GLY 71 H GLY 71 -7.292 -5.863 -17.435 500 1HA GLY 71 1HA GLY 71 -5.680 -7.633 -16.840 501 2HA GLY 71 2HA GLY 71 -5.604 -8.095 -18.546 502 H THR 72 H THR 72 -5.242 -4.783 -17.447 503 HA THR 72 HA THR 72 -2.221 -4.863 -17.668 504 HB THR 72 HB THR 72 -2.162 -2.775 -19.087 505 HG1 THR 72 HG1 THR 72 -4.620 -2.657 -18.708 506 1HG2 THR 72 1HG2 THR 72 -2.434 -3.853 -21.284 507 2HG2 THR 72 2HG2 THR 72 -1.644 -4.998 -20.177 508 3HG2 THR 72 3HG2 THR 72 -3.368 -5.195 -20.587 509 H ILE 73 H ILE 73 -1.230 -2.981 -16.723 510 HA ILE 73 HA ILE 73 -2.948 -1.550 -14.622 511 HB ILE 73 HB ILE 73 0.037 -2.196 -14.432 512 1HG1 ILE 73 1HG1 ILE 73 -2.395 -3.676 -13.255 513 2HG1 ILE 73 2HG1 ILE 73 -0.813 -3.780 -12.513 514 1HG2 ILE 73 1HG2 ILE 73 -0.119 -1.444 -12.062 515 2HG2 ILE 73 2HG2 ILE 73 -0.653 -0.140 -13.131 516 3HG2 ILE 73 3HG2 ILE 73 -1.855 -1.099 -12.235 517 1HD1 ILE 73 1HD1 ILE 73 0.197 -4.808 -14.532 518 2HD1 ILE 73 2HD1 ILE 73 -1.233 -5.720 -14.005 519 3HD1 ILE 73 3HD1 ILE 73 -1.345 -4.641 -15.416 520 H ASP 74 H ASP 74 -3.482 -0.073 -16.342 521 HA ASP 74 HA ASP 74 -1.423 1.658 -17.612 522 1HB ASP 74 1HB ASP 74 -4.317 2.556 -17.514 523 2HB ASP 74 2HB ASP 74 -3.127 2.741 -18.781 524 H PHE 75 H PHE 75 -1.499 4.050 -17.338 525 HA PHE 75 HA PHE 75 -0.690 4.853 -14.668 526 1HB PHE 75 1HB PHE 75 -1.750 6.862 -16.727 527 2HB PHE 75 2HB PHE 75 -0.256 6.009 -17.011 528 HD1 PHE 75 HD1 PHE 75 0.237 6.029 -13.717 529 HD2 PHE 75 HD2 PHE 75 -0.388 9.006 -16.760 530 HE1 PHE 75 HE1 PHE 75 1.384 7.705 -12.327 531 HE2 PHE 75 HE2 PHE 75 0.769 10.667 -15.357 532 HZ PHE 75 HZ PHE 75 1.645 10.025 -13.139 533 H GLU 76 H GLU 76 -3.828 4.631 -16.177 534 HA GLU 76 HA GLU 76 -5.216 6.382 -14.139 535 1HB GLU 76 1HB GLU 76 -6.786 6.750 -15.657 536 2HB GLU 76 2HB GLU 76 -7.082 5.044 -15.915 537 1HG GLU 76 1HG GLU 76 -4.892 6.668 -17.355 538 2HG GLU 76 2HG GLU 76 -5.217 4.966 -17.609 539 H GLU 77 H GLU 77 -3.970 4.192 -13.028 540 HA GLU 77 HA GLU 77 -6.156 2.966 -11.460 541 1HB GLU 77 1HB GLU 77 -5.236 0.521 -12.084 542 2HB GLU 77 2HB GLU 77 -6.644 1.248 -12.822 543 1HG GLU 77 1HG GLU 77 -4.816 2.131 -14.643 544 2HG GLU 77 2HG GLU 77 -3.894 0.758 -14.041 545 H PHE 78 H PHE 78 -2.773 2.817 -12.496 546 HA PHE 78 HA PHE 78 -1.603 1.494 -10.185 547 1HB PHE 78 1HB PHE 78 -0.088 3.674 -11.709 548 2HB PHE 78 2HB PHE 78 -0.534 2.207 -12.542 549 HD1 PHE 78 HD1 PHE 78 2.162 2.268 -12.685 550 HD2 PHE 78 HD2 PHE 78 -0.007 1.418 -9.068 551 HE1 PHE 78 HE1 PHE 78 4.164 1.209 -11.720 552 HE2 PHE 78 HE2 PHE 78 1.996 0.341 -8.130 553 HZ PHE 78 HZ PHE 78 4.086 0.246 -9.444 554 H LEU 79 H LEU 79 -2.593 4.807 -10.799 555 HA LEU 79 HA LEU 79 -1.252 6.065 -8.469 556 1HB LEU 79 1HB LEU 79 -2.563 8.076 -8.984 557 2HB LEU 79 2HB LEU 79 -3.675 7.178 -9.994 558 HG LEU 79 HG LEU 79 -1.700 6.674 -11.591 559 1HD1 LEU 79 1HD1 LEU 79 -0.273 8.900 -10.005 560 2HD1 LEU 79 2HD1 LEU 79 0.141 7.179 -9.901 561 3HD1 LEU 79 3HD1 LEU 79 0.343 8.047 -11.443 562 1HD2 LEU 79 1HD2 LEU 79 -1.869 8.828 -12.763 563 2HD2 LEU 79 2HD2 LEU 79 -3.450 8.522 -12.001 564 3HD2 LEU 79 3HD2 LEU 79 -2.330 9.678 -11.266 565 H VAL 80 H VAL 80 -4.375 4.569 -9.094 566 HA VAL 80 HA VAL 80 -5.780 5.416 -6.663 567 HB VAL 80 HB VAL 80 -6.723 4.304 -8.867 568 1HG1 VAL 80 1HG1 VAL 80 -7.386 1.904 -8.596 569 2HG1 VAL 80 2HG1 VAL 80 -5.627 2.066 -8.668 570 3HG1 VAL 80 3HG1 VAL 80 -6.422 1.788 -7.101 571 1HG2 VAL 80 1HG2 VAL 80 -8.020 3.662 -6.136 572 2HG2 VAL 80 2HG2 VAL 80 -8.195 5.197 -7.019 573 3HG2 VAL 80 3HG2 VAL 80 -8.848 3.705 -7.712 574 H MET 81 H MET 81 -4.137 2.345 -7.515 575 HA MET 81 HA MET 81 -4.326 0.963 -4.960 576 1HB MET 81 1HB MET 81 -2.712 -0.581 -5.731 577 2HB MET 81 2HB MET 81 -3.571 -0.065 -7.170 578 1HG MET 81 1HG MET 81 -1.705 1.174 -8.030 579 2HG MET 81 2HG MET 81 -0.918 1.295 -6.447 580 1HE MET 81 1HE MET 81 -0.413 -1.092 -4.998 581 2HE MET 81 2HE MET 81 0.832 -2.052 -5.852 582 3HE MET 81 3HE MET 81 1.015 -0.280 -5.716 583 H MET 82 H MET 82 -1.894 3.213 -6.264 584 HA MET 82 HA MET 82 0.021 3.045 -4.049 585 1HB MET 82 1HB MET 82 0.634 5.497 -5.036 586 2HB MET 82 2HB MET 82 -0.353 4.954 -6.379 587 1HG MET 82 1HG MET 82 1.700 4.153 -7.115 588 2HG MET 82 2HG MET 82 1.222 2.733 -6.175 589 1HE MET 82 1HE MET 82 4.715 2.391 -5.116 590 2HE MET 82 2HE MET 82 4.817 3.575 -6.452 591 3HE MET 82 3HE MET 82 3.624 2.246 -6.530 592 H VAL 83 H VAL 83 -2.841 5.000 -4.669 593 HA VAL 83 HA VAL 83 -2.444 7.039 -2.575 594 HB VAL 83 HB VAL 83 -4.395 6.557 -4.643 595 1HG1 VAL 83 1HG1 VAL 83 -4.156 9.048 -2.843 596 2HG1 VAL 83 2HG1 VAL 83 -3.036 8.700 -4.168 597 3HG1 VAL 83 3HG1 VAL 83 -4.761 8.961 -4.517 598 1HG2 VAL 83 1HG2 VAL 83 -6.528 7.172 -3.631 599 2HG2 VAL 83 2HG2 VAL 83 -5.933 5.764 -2.720 600 3HG2 VAL 83 3HG2 VAL 83 -5.795 7.383 -2.020 601 NH1 ARG 84 NH1 ARG 84 -7.446 -2.393 -3.083 602 NH2 ARG 84 NH2 ARG 84 -9.437 -2.056 -2.043 603 H ARG 84 H ARG 84 -3.948 3.856 -2.751 604 HA ARG 84 HA ARG 84 -5.577 3.715 -0.368 605 1HB ARG 84 1HB ARG 84 -4.479 1.809 -2.260 606 2HB ARG 84 2HB ARG 84 -4.088 1.226 -0.649 607 1HG ARG 84 1HG ARG 84 -6.342 0.975 0.016 608 2HG ARG 84 2HG ARG 84 -6.954 2.142 -1.159 609 1HD ARG 84 1HD ARG 84 -6.807 0.616 -2.993 610 2HD ARG 84 2HD ARG 84 -5.623 -0.422 -2.196 611 HE ARG 84 HE ARG 84 -8.057 -0.526 -0.602 612 1HH1 ARG 84 1HH1 ARG 84 -6.468 -2.105 -3.197 613 2HH1 ARG 84 2HH1 ARG 84 -7.921 -3.161 -3.569 614 1HH2 ARG 84 1HH2 ARG 84 -9.983 -1.501 -1.375 615 2HH2 ARG 84 2HH2 ARG 84 -9.767 -2.860 -2.589 616 H GLN 85 H GLN 85 -2.140 2.753 -0.728 617 HA GLN 85 HA GLN 85 -1.614 2.285 2.136 618 1HB GLN 85 1HB GLN 85 -0.264 1.425 0.074 619 2HB GLN 85 2HB GLN 85 0.579 1.821 1.560 620 1HG GLN 85 1HG GLN 85 0.836 4.249 0.314 621 2HG GLN 85 2HG GLN 85 0.648 3.256 -1.114 622 1HE2 GLN 85 1HE2 GLN 85 4.328 3.381 -0.392 623 2HE2 GLN 85 2HE2 GLN 85 2.975 4.460 -1.002 624 H MET 86 H MET 86 -1.351 5.052 -0.038 625 HA MET 86 HA MET 86 0.238 6.906 1.478 626 1HB MET 86 1HB MET 86 -1.544 7.106 -0.826 627 2HB MET 86 2HB MET 86 -1.879 8.444 0.258 628 1HG MET 86 1HG MET 86 0.480 8.005 -1.493 629 2HG MET 86 2HG MET 86 0.963 8.410 0.162 630 1HE MET 86 1HE MET 86 -2.410 9.433 -1.798 631 2HE MET 86 2HE MET 86 -1.939 11.043 -2.418 632 3HE MET 86 3HE MET 86 -1.134 9.575 -3.047 633 H LYS 87 H LYS 87 -3.164 6.016 1.754 634 HA LYS 87 HA LYS 87 -4.155 8.053 3.589 635 1HB LYS 87 1HB LYS 87 -5.744 6.117 4.420 636 2HB LYS 87 2HB LYS 87 -4.992 5.138 3.169 637 1HG LYS 87 1HG LYS 87 -6.303 7.834 2.523 638 2HG LYS 87 2HG LYS 87 -5.777 6.618 1.372 639 1HD LYS 87 1HD LYS 87 -8.083 6.319 3.404 640 2HD LYS 87 2HD LYS 87 -8.250 6.685 1.691 641 1HE LYS 87 1HE LYS 87 -6.701 4.150 2.241 642 2HE LYS 87 2HE LYS 87 -8.391 4.105 2.760 643 1HZ LYS 87 1HZ LYS 87 -8.911 4.987 0.438 644 2HZ LYS 87 2HZ LYS 87 -8.394 3.421 0.537 645 3HZ LYS 87 3HZ LYS 87 -7.357 4.602 0.028 646 H GLU 88 H GLU 88 -4.303 8.107 5.810 647 HA GLU 88 HA GLU 88 -3.457 7.988 8.052 648 1HB GLU 88 1HB GLU 88 -4.670 5.872 8.023 649 2HB GLU 88 2HB GLU 88 -3.331 5.029 7.269 650 1HG GLU 88 1HG GLU 88 -1.967 5.746 9.464 651 2HG GLU 88 2HG GLU 88 -3.047 4.363 9.489 652 H ASP 89 H ASP 89 -1.411 5.317 7.081 653 HA ASP 89 HA ASP 89 1.055 6.829 6.481 654 1HB ASP 89 1HB ASP 89 0.597 7.174 9.095 655 2HB ASP 89 2HB ASP 89 1.251 5.558 9.238 656 H ALA 90 H ALA 90 2.947 5.358 6.463 657 HA ALA 90 HA ALA 90 4.064 3.269 5.944 658 1HB ALA 90 1HB ALA 90 2.968 1.095 6.550 659 2HB ALA 90 2HB ALA 90 2.910 2.229 7.914 660 3HB ALA 90 3HB ALA 90 1.447 1.937 6.942 Start of MODEL 5 Raw file had 660 H/Q atoms Start of MODEL 5 1 1H ALA 1 1H ALA 1 -21.428 -2.670 -15.325 2 2H ALA 1 2H ALA 1 -22.852 -3.004 -16.155 3 3H ALA 1 3H ALA 1 -21.367 -3.192 -16.922 4 HA ALA 1 HA ALA 1 -22.133 -1.243 -17.796 5 1HB ALA 1 1HB ALA 1 -23.584 0.252 -16.731 6 2HB ALA 1 2HB ALA 1 -22.874 0.010 -15.124 7 3HB ALA 1 3HB ALA 1 -23.979 -1.213 -15.801 8 H SER 2 H SER 2 -20.617 0.229 -18.247 9 HA SER 2 HA SER 2 -18.222 0.513 -16.363 10 1HB SER 2 1HB SER 2 -16.816 0.336 -18.147 11 2HB SER 2 2HB SER 2 -18.190 -0.495 -18.880 12 HG SER 2 HG SER 2 -17.071 1.381 -19.967 13 H MET 3 H MET 3 -17.258 2.524 -16.090 14 HA MET 3 HA MET 3 -18.702 5.039 -17.030 15 1HB MET 3 1HB MET 3 -18.438 4.140 -14.123 16 2HB MET 3 2HB MET 3 -18.551 5.845 -14.520 17 1HG MET 3 1HG MET 3 -20.760 5.270 -15.803 18 2HG MET 3 2HG MET 3 -20.649 3.665 -15.070 19 1HE MET 3 1HE MET 3 -22.137 7.517 -13.778 20 2HE MET 3 2HE MET 3 -23.343 6.203 -13.646 21 3HE MET 3 3HE MET 3 -22.409 6.406 -15.157 22 H THR 4 H THR 4 -17.443 6.959 -15.842 23 HA THR 4 HA THR 4 -14.493 6.558 -16.473 24 HB THR 4 HB THR 4 -14.327 8.992 -16.863 25 HG1 THR 4 HG1 THR 4 -16.609 9.825 -17.305 26 1HG2 THR 4 1HG2 THR 4 -15.720 9.148 -19.008 27 2HG2 THR 4 2HG2 THR 4 -16.371 7.533 -18.650 28 3HG2 THR 4 3HG2 THR 4 -14.626 7.749 -18.944 29 H ASP 5 H ASP 5 -15.661 5.788 -13.991 30 HA ASP 5 HA ASP 5 -14.912 7.806 -11.901 31 1HB ASP 5 1HB ASP 5 -16.755 6.549 -11.188 32 2HB ASP 5 2HB ASP 5 -16.141 5.039 -11.820 33 H GLN 6 H GLN 6 -13.497 5.055 -13.517 34 HA GLN 6 HA GLN 6 -11.513 4.015 -11.798 35 1HB GLN 6 1HB GLN 6 -11.321 4.556 -14.810 36 2HB GLN 6 2HB GLN 6 -11.843 3.085 -14.009 37 1HG GLN 6 1HG GLN 6 -9.058 3.924 -13.265 38 2HG GLN 6 2HG GLN 6 -9.262 3.606 -14.974 39 1HE2 GLN 6 1HE2 GLN 6 -8.866 0.462 -12.466 40 2HE2 GLN 6 2HE2 GLN 6 -8.538 2.214 -12.032 41 H GLN 7 H GLN 7 -10.434 6.315 -14.280 42 HA GLN 7 HA GLN 7 -8.260 7.348 -12.428 43 1HB GLN 7 1HB GLN 7 -7.765 6.590 -14.839 44 2HB GLN 7 2HB GLN 7 -7.121 8.146 -14.327 45 1HG GLN 7 1HG GLN 7 -8.872 9.386 -15.556 46 2HG GLN 7 2HG GLN 7 -7.970 8.332 -16.634 47 1HE2 GLN 7 1HE2 GLN 7 -10.879 6.198 -17.267 48 2HE2 GLN 7 2HE2 GLN 7 -9.045 6.260 -17.250 49 H ALA 8 H ALA 8 -11.218 8.129 -12.293 50 HA ALA 8 HA ALA 8 -11.322 11.031 -13.019 51 1HB ALA 8 1HB ALA 8 -13.589 10.976 -11.992 52 2HB ALA 8 2HB ALA 8 -13.370 9.647 -13.147 53 3HB ALA 8 3HB ALA 8 -13.314 9.321 -11.396 54 H GLU 9 H GLU 9 -10.878 9.059 -10.111 55 HA GLU 9 HA GLU 9 -10.864 11.404 -8.223 56 1HB GLU 9 1HB GLU 9 -9.934 8.735 -7.184 57 2HB GLU 9 2HB GLU 9 -10.992 9.938 -6.461 58 1HG GLU 9 1HG GLU 9 -12.788 9.191 -8.278 59 2HG GLU 9 2HG GLU 9 -11.771 7.770 -8.487 60 H ALA 10 H ALA 10 -8.530 8.759 -8.857 61 HA ALA 10 HA ALA 10 -6.249 9.783 -7.470 62 1HB ALA 10 1HB ALA 10 -4.867 8.310 -8.926 63 2HB ALA 10 2HB ALA 10 -6.342 7.484 -8.389 64 3HB ALA 10 3HB ALA 10 -6.225 8.099 -10.057 65 NH1 ARG 11 NH1 ARG 11 -7.756 14.721 -16.354 66 NH2 ARG 11 NH2 ARG 11 -9.265 13.154 -17.007 67 H ARG 11 H ARG 11 -7.560 10.682 -10.597 68 HA ARG 11 HA ARG 11 -5.177 12.124 -11.675 69 1HB ARG 11 1HB ARG 11 -6.640 11.312 -13.365 70 2HB ARG 11 2HB ARG 11 -8.086 11.847 -12.522 71 1HG ARG 11 1HG ARG 11 -6.316 14.136 -13.236 72 2HG ARG 11 2HG ARG 11 -6.833 13.208 -14.646 73 1HD ARG 11 1HD ARG 11 -9.046 13.744 -12.683 74 2HD ARG 11 2HD ARG 11 -8.361 15.210 -13.389 75 HE ARG 11 HE ARG 11 -10.251 13.619 -14.748 76 1HH1 ARG 11 1HH1 ARG 11 -10.039 12.533 -16.744 77 2HH1 ARG 11 2HH1 ARG 11 -8.852 13.262 -17.940 78 1HH2 ARG 11 1HH2 ARG 11 -7.327 15.241 -15.580 79 2HH2 ARG 11 2HH2 ARG 11 -7.495 14.768 -17.345 80 H ALA 12 H ALA 12 -8.276 13.054 -10.180 81 HA ALA 12 HA ALA 12 -8.035 15.955 -10.377 82 1HB ALA 12 1HB ALA 12 -9.785 16.069 -8.615 83 2HB ALA 12 2HB ALA 12 -10.190 14.858 -9.848 84 3HB ALA 12 3HB ALA 12 -9.582 14.337 -8.256 85 H PHE 13 H PHE 13 -6.749 13.605 -8.090 86 HA PHE 13 HA PHE 13 -5.921 15.564 -6.002 87 1HB PHE 13 1HB PHE 13 -6.547 13.264 -5.395 88 2HB PHE 13 2HB PHE 13 -5.273 12.583 -6.373 89 HD1 PHE 13 HD1 PHE 13 -3.185 12.074 -5.292 90 HD2 PHE 13 HD2 PHE 13 -5.770 14.998 -3.475 91 HE1 PHE 13 HE1 PHE 13 -1.691 12.199 -3.340 92 HE2 PHE 13 HE2 PHE 13 -4.264 15.108 -1.533 93 HZ PHE 13 HZ PHE 13 -2.229 13.709 -1.457 94 H LEU 14 H LEU 14 -4.239 13.510 -8.401 95 HA LEU 14 HA LEU 14 -1.532 14.680 -7.864 96 1HB LEU 14 1HB LEU 14 -2.278 12.894 -10.242 97 2HB LEU 14 2HB LEU 14 -0.686 13.168 -9.568 98 HG LEU 14 HG LEU 14 -2.753 11.923 -7.720 99 1HD1 LEU 14 1HD1 LEU 14 0.240 11.304 -8.129 100 2HD1 LEU 14 2HD1 LEU 14 -0.385 12.480 -6.958 101 3HD1 LEU 14 3HD1 LEU 14 -0.794 10.754 -6.785 102 1HD2 LEU 14 1HD2 LEU 14 -2.440 9.650 -8.609 103 2HD2 LEU 14 2HD2 LEU 14 -3.001 10.671 -9.956 104 3HD2 LEU 14 3HD2 LEU 14 -1.291 10.226 -9.844 105 H SER 15 H SER 15 -0.761 16.433 -8.730 106 HA SER 15 HA SER 15 -2.147 18.003 -10.887 107 1HB SER 15 1HB SER 15 -1.270 19.543 -9.455 108 2HB SER 15 2HB SER 15 0.051 18.500 -8.921 109 HG SER 15 HG SER 15 0.883 20.144 -10.106 110 H GLU 16 H GLU 16 -0.640 18.880 -12.662 111 HA GLU 16 HA GLU 16 0.142 16.701 -14.443 112 1HB GLU 16 1HB GLU 16 0.848 19.668 -14.746 113 2HB GLU 16 2HB GLU 16 -0.706 18.975 -15.165 114 1HG GLU 16 1HG GLU 16 0.899 17.324 -16.679 115 2HG GLU 16 2HG GLU 16 0.212 18.828 -17.267 116 H GLU 17 H GLU 17 1.903 18.795 -12.242 117 HA GLU 17 HA GLU 17 4.639 18.090 -13.232 118 1HB GLU 17 1HB GLU 17 4.199 19.369 -10.513 119 2HB GLU 17 2HB GLU 17 5.551 19.542 -11.614 120 1HG GLU 17 1HG GLU 17 3.896 20.784 -13.229 121 2HG GLU 17 2HG GLU 17 2.745 20.780 -11.904 122 H MET 18 H MET 18 2.463 17.118 -10.624 123 HA MET 18 HA MET 18 4.347 15.426 -9.081 124 1HB MET 18 1HB MET 18 2.182 14.384 -8.122 125 2HB MET 18 2HB MET 18 1.283 15.496 -9.138 126 1HG MET 18 1HG MET 18 1.389 16.532 -6.961 127 2HG MET 18 2HG MET 18 2.512 17.453 -7.976 128 1HE MET 18 1HE MET 18 2.189 14.570 -5.235 129 2HE MET 18 2HE MET 18 3.477 15.178 -4.152 130 3HE MET 18 3HE MET 18 2.092 16.230 -4.569 131 H ILE 19 H ILE 19 2.183 14.970 -11.823 132 HA ILE 19 HA ILE 19 2.045 12.044 -11.872 133 HB ILE 19 HB ILE 19 1.256 14.234 -13.706 134 1HG1 ILE 19 1HG1 ILE 19 0.083 11.588 -12.718 135 2HG1 ILE 19 2HG1 ILE 19 -0.582 12.301 -14.172 136 1HG2 ILE 19 1HG2 ILE 19 1.096 12.853 -15.793 137 2HG2 ILE 19 2HG2 ILE 19 2.783 13.047 -15.320 138 3HG2 ILE 19 3HG2 ILE 19 1.951 11.509 -14.996 139 1HD1 ILE 19 1HD1 ILE 19 -1.240 14.382 -12.995 140 2HD1 ILE 19 2HD1 ILE 19 -1.888 12.958 -12.156 141 3HD1 ILE 19 3HD1 ILE 19 -0.471 13.804 -11.492 142 H ALA 20 H ALA 20 4.316 14.439 -13.137 143 HA ALA 20 HA ALA 20 5.976 12.841 -14.862 144 1HB ALA 20 1HB ALA 20 7.752 14.545 -14.476 145 2HB ALA 20 2HB ALA 20 6.169 15.303 -14.737 146 3HB ALA 20 3HB ALA 20 6.853 15.212 -13.094 147 H GLU 21 H GLU 21 6.077 13.287 -11.340 148 HA GLU 21 HA GLU 21 8.577 12.040 -10.625 149 1HB GLU 21 1HB GLU 21 6.963 13.278 -9.081 150 2HB GLU 21 2HB GLU 21 5.990 11.823 -8.994 151 1HG GLU 21 1HG GLU 21 8.488 10.794 -8.288 152 2HG GLU 21 2HG GLU 21 8.652 12.444 -7.712 153 H PHE 22 H PHE 22 5.378 10.641 -11.271 154 HA PHE 22 HA PHE 22 6.175 7.822 -10.678 155 1HB PHE 22 1HB PHE 22 3.602 9.035 -11.843 156 2HB PHE 22 2HB PHE 22 3.846 7.315 -11.715 157 HD1 PHE 22 HD1 PHE 22 3.588 6.128 -9.608 158 HD2 PHE 22 HD2 PHE 22 3.563 10.432 -9.643 159 HE1 PHE 22 HE1 PHE 22 2.962 6.154 -7.230 160 HE2 PHE 22 HE2 PHE 22 2.924 10.437 -7.267 161 HZ PHE 22 HZ PHE 22 2.628 8.304 -6.055 162 H LYS 23 H LYS 23 5.956 9.924 -13.475 163 HA LYS 23 HA LYS 23 5.787 8.149 -15.719 164 1HB LYS 23 1HB LYS 23 7.267 10.803 -15.368 165 2HB LYS 23 2HB LYS 23 7.467 9.892 -16.848 166 1HG LYS 23 1HG LYS 23 4.849 9.928 -17.052 167 2HG LYS 23 2HG LYS 23 4.880 11.090 -15.737 168 1HD LYS 23 1HD LYS 23 4.851 11.950 -18.254 169 2HD LYS 23 2HD LYS 23 5.792 12.816 -17.034 170 1HE LYS 23 1HE LYS 23 6.853 10.866 -19.170 171 2HE LYS 23 2HE LYS 23 7.840 11.320 -17.773 172 1HZ LYS 23 1HZ LYS 23 7.931 13.523 -18.483 173 2HZ LYS 23 2HZ LYS 23 6.584 13.425 -19.435 174 3HZ LYS 23 3HZ LYS 23 7.992 12.709 -19.919 175 H ALA 24 H ALA 24 8.728 9.224 -13.990 176 HA ALA 24 HA ALA 24 10.784 7.968 -15.515 177 1HB ALA 24 1HB ALA 24 12.180 8.018 -13.458 178 2HB ALA 24 2HB ALA 24 11.264 9.525 -13.650 179 3HB ALA 24 3HB ALA 24 10.742 8.314 -12.451 180 H ALA 25 H ALA 25 9.480 6.605 -12.471 181 HA ALA 25 HA ALA 25 10.725 3.979 -12.713 182 1HB ALA 25 1HB ALA 25 9.259 3.317 -10.817 183 2HB ALA 25 2HB ALA 25 9.987 4.909 -10.537 184 3HB ALA 25 3HB ALA 25 8.276 4.787 -11.018 185 H PHE 26 H PHE 26 7.799 5.302 -14.058 186 HA PHE 26 HA PHE 26 6.199 2.842 -14.369 187 1HB PHE 26 1HB PHE 26 4.968 4.882 -14.493 188 2HB PHE 26 2HB PHE 26 6.022 5.598 -15.683 189 HD1 PHE 26 HD1 PHE 26 5.432 5.417 -18.031 190 HD2 PHE 26 HD2 PHE 26 3.587 2.729 -15.224 191 HE1 PHE 26 HE1 PHE 26 3.806 4.725 -19.746 192 HE2 PHE 26 HE2 PHE 26 1.972 2.046 -16.953 193 HZ PHE 26 HZ PHE 26 2.089 3.027 -19.218 194 H ASP 27 H ASP 27 8.356 4.674 -16.548 195 HA ASP 27 HA ASP 27 8.170 2.888 -18.869 196 1HB ASP 27 1HB ASP 27 9.206 5.374 -18.611 197 2HB ASP 27 2HB ASP 27 9.559 4.305 -19.948 198 H MET 28 H MET 28 10.157 2.939 -15.972 199 HA MET 28 HA MET 28 12.194 0.979 -16.571 200 1HB MET 28 1HB MET 28 11.613 2.357 -14.283 201 2HB MET 28 2HB MET 28 10.943 0.802 -13.828 202 1HG MET 28 1HG MET 28 13.858 1.240 -14.741 203 2HG MET 28 2HG MET 28 13.162 -0.317 -14.264 204 1HE MET 28 1HE MET 28 12.541 3.376 -12.788 205 2HE MET 28 2HE MET 28 13.675 3.351 -11.404 206 3HE MET 28 3HE MET 28 14.308 3.283 -13.076 207 H PHE 29 H PHE 29 8.830 0.569 -15.503 208 HA PHE 29 HA PHE 29 8.940 -2.393 -15.259 209 1HB PHE 29 1HB PHE 29 6.495 -0.523 -15.370 210 2HB PHE 29 2HB PHE 29 6.407 -2.237 -15.067 211 HD1 PHE 29 HD1 PHE 29 6.368 0.846 -13.450 212 HD2 PHE 29 HD2 PHE 29 8.238 -3.012 -13.053 213 HE1 PHE 29 HE1 PHE 29 6.728 1.253 -11.049 214 HE2 PHE 29 HE2 PHE 29 8.595 -2.579 -10.657 215 HZ PHE 29 HZ PHE 29 7.844 -0.452 -9.652 216 H ASP 30 H ASP 30 7.999 -0.036 -17.709 217 HA ASP 30 HA ASP 30 6.763 -1.796 -19.679 218 1HB ASP 30 1HB ASP 30 6.502 0.621 -19.902 219 2HB ASP 30 2HB ASP 30 8.225 0.867 -20.071 220 H ALA 31 H ALA 31 7.664 -2.613 -21.637 221 HA ALA 31 HA ALA 31 10.666 -3.256 -21.575 222 1HB ALA 31 1HB ALA 31 10.147 -5.602 -22.259 223 2HB ALA 31 2HB ALA 31 9.436 -5.204 -20.683 224 3HB ALA 31 3HB ALA 31 8.401 -5.283 -22.131 225 H ASP 32 H ASP 32 7.711 -3.525 -23.576 226 HA ASP 32 HA ASP 32 9.265 -3.215 -26.158 227 1HB ASP 32 1HB ASP 32 7.509 -4.132 -27.296 228 2HB ASP 32 2HB ASP 32 7.197 -4.841 -25.728 229 H GLY 33 H GLY 33 6.678 -1.582 -24.316 230 1HA GLY 33 1HA GLY 33 6.579 0.899 -23.991 231 2HA GLY 33 2HA GLY 33 7.565 1.087 -25.423 232 H GLY 34 H GLY 34 4.434 1.077 -24.122 233 1HA GLY 34 1HA GLY 34 3.216 2.153 -26.640 234 2HA GLY 34 2HA GLY 34 2.576 0.557 -26.226 235 H GLY 35 H GLY 35 3.653 2.995 -23.906 236 1HA GLY 35 1HA GLY 35 2.511 4.119 -22.081 237 2HA GLY 35 2HA GLY 35 1.195 4.364 -23.237 238 H ASP 36 H ASP 36 2.451 1.228 -22.215 239 HA ASP 36 HA ASP 36 0.557 0.698 -20.028 240 1HB ASP 36 1HB ASP 36 -1.079 -0.749 -20.953 241 2HB ASP 36 2HB ASP 36 -1.077 0.677 -21.964 242 H ILE 37 H ILE 37 0.639 -1.626 -19.402 243 HA ILE 37 HA ILE 37 3.111 -3.131 -20.344 244 HB ILE 37 HB ILE 37 2.614 -2.551 -17.391 245 1HG1 ILE 37 1HG1 ILE 37 5.281 -1.715 -18.302 246 2HG1 ILE 37 2HG1 ILE 37 4.060 -0.909 -19.269 247 1HG2 ILE 37 1HG2 ILE 37 4.644 -3.864 -16.909 248 2HG2 ILE 37 2HG2 ILE 37 3.487 -4.857 -17.806 249 3HG2 ILE 37 3HG2 ILE 37 4.906 -4.181 -18.641 250 1HD1 ILE 37 1HD1 ILE 37 4.224 -0.766 -16.198 251 2HD1 ILE 37 2HD1 ILE 37 4.600 0.519 -17.367 252 3HD1 ILE 37 3HD1 ILE 37 2.922 -0.041 -17.181 253 H SER 38 H SER 38 2.358 -4.955 -21.038 254 HA SER 38 HA SER 38 -0.085 -6.336 -20.022 255 1HB SER 38 1HB SER 38 1.955 -6.847 -22.175 256 2HB SER 38 2HB SER 38 0.191 -6.862 -22.243 257 HG SER 38 HG SER 38 0.679 -8.918 -22.333 258 H THR 39 H THR 39 0.173 -8.703 -19.402 259 HA THR 39 HA THR 39 1.527 -8.929 -16.816 260 HB THR 39 HB THR 39 1.076 -11.583 -17.435 261 HG1 THR 39 HG1 THR 39 -0.595 -11.757 -18.708 262 1HG2 THR 39 1HG2 THR 39 -1.022 -11.431 -16.168 263 2HG2 THR 39 2HG2 THR 39 0.184 -10.373 -15.400 264 3HG2 THR 39 3HG2 THR 39 -1.111 -9.671 -16.406 265 H LYS 40 H LYS 40 2.578 -9.541 -20.074 266 HA LYS 40 HA LYS 40 4.827 -11.388 -19.419 267 1HB LYS 40 1HB LYS 40 5.001 -9.863 -21.981 268 2HB LYS 40 2HB LYS 40 3.518 -10.768 -21.824 269 1HG LYS 40 1HG LYS 40 6.011 -12.292 -21.093 270 2HG LYS 40 2HG LYS 40 6.058 -11.638 -22.711 271 1HD LYS 40 1HD LYS 40 3.770 -12.885 -23.142 272 2HD LYS 40 2HD LYS 40 5.271 -13.761 -23.088 273 1HE LYS 40 1HE LYS 40 3.611 -15.061 -21.904 274 2HE LYS 40 2HE LYS 40 4.864 -14.576 -20.770 275 1HZ LYS 40 1HZ LYS 40 2.475 -12.862 -20.986 276 2HZ LYS 40 2HZ LYS 40 3.391 -13.218 -19.658 277 3HZ LYS 40 3HZ LYS 40 2.309 -14.325 -20.236 278 H GLU 41 H GLU 41 4.721 -8.036 -20.705 279 HA GLU 41 HA GLU 41 7.469 -7.318 -20.450 280 1HB GLU 41 1HB GLU 41 6.849 -5.361 -21.263 281 2HB GLU 41 2HB GLU 41 5.985 -4.943 -19.799 282 1HG GLU 41 1HG GLU 41 4.701 -6.594 -22.061 283 2HG GLU 41 2HG GLU 41 3.893 -5.926 -20.659 284 H LEU 42 H LEU 42 4.875 -6.952 -18.035 285 HA LEU 42 HA LEU 42 6.263 -5.534 -15.954 286 1HB LEU 42 1HB LEU 42 3.720 -6.432 -16.168 287 2HB LEU 42 2HB LEU 42 4.318 -7.740 -15.171 288 HG LEU 42 HG LEU 42 3.275 -6.075 -13.732 289 1HD1 LEU 42 1HD1 LEU 42 5.245 -3.942 -14.770 290 2HD1 LEU 42 2HD1 LEU 42 3.575 -4.097 -15.336 291 3HD1 LEU 42 3HD1 LEU 42 3.896 -3.703 -13.629 292 1HD2 LEU 42 1HD2 LEU 42 5.061 -5.595 -12.095 293 2HD2 LEU 42 2HD2 LEU 42 5.404 -7.178 -12.836 294 3HD2 LEU 42 3HD2 LEU 42 6.322 -5.749 -13.346 295 H GLY 43 H GLY 43 6.087 -9.020 -16.613 296 1HA GLY 43 1HA GLY 43 7.536 -10.865 -15.957 297 2HA GLY 43 2HA GLY 43 7.295 -10.193 -14.340 298 H THR 44 H THR 44 8.936 -8.632 -17.064 299 HA THR 44 HA THR 44 11.652 -9.362 -16.637 300 HB THR 44 HB THR 44 10.485 -6.785 -17.757 301 HG1 THR 44 HG1 THR 44 10.636 -7.838 -19.494 302 1HG2 THR 44 1HG2 THR 44 12.749 -6.160 -18.617 303 2HG2 THR 44 2HG2 THR 44 12.688 -6.068 -16.845 304 3HG2 THR 44 3HG2 THR 44 13.492 -7.448 -17.636 305 H VAL 45 H VAL 45 10.016 -6.467 -15.322 306 HA VAL 45 HA VAL 45 12.239 -5.474 -13.713 307 HB VAL 45 HB VAL 45 9.354 -4.794 -13.961 308 1HG1 VAL 45 1HG1 VAL 45 9.220 -3.442 -11.868 309 2HG1 VAL 45 2HG1 VAL 45 9.381 -5.160 -11.481 310 3HG1 VAL 45 3HG1 VAL 45 10.789 -4.088 -11.318 311 1HG2 VAL 45 1HG2 VAL 45 11.853 -3.029 -13.517 312 2HG2 VAL 45 2HG2 VAL 45 11.114 -3.408 -15.090 313 3HG2 VAL 45 3HG2 VAL 45 10.215 -2.445 -13.909 314 H MET 46 H MET 46 9.575 -7.717 -13.068 315 HA MET 46 HA MET 46 9.753 -7.975 -10.182 316 1HB MET 46 1HB MET 46 8.871 -10.091 -12.232 317 2HB MET 46 2HB MET 46 8.734 -10.286 -10.494 318 1HG MET 46 1HG MET 46 7.427 -7.837 -10.817 319 2HG MET 46 2HG MET 46 7.048 -8.639 -12.350 320 1HE MET 46 1HE MET 46 6.147 -8.245 -8.657 321 2HE MET 46 2HE MET 46 5.618 -9.865 -8.115 322 3HE MET 46 3HE MET 46 7.355 -9.541 -8.387 323 NH1 ARG 47 NH1 ARG 47 16.342 -10.773 -15.594 324 NH2 ARG 47 NH2 ARG 47 17.991 -12.011 -14.637 325 H ARG 47 H ARG 47 11.555 -9.470 -12.820 326 HA ARG 47 HA ARG 47 12.951 -11.596 -11.370 327 1HB ARG 47 1HB ARG 47 14.674 -10.629 -13.485 328 2HB ARG 47 2HB ARG 47 13.016 -10.466 -14.048 329 1HG ARG 47 1HG ARG 47 12.532 -12.819 -13.791 330 2HG ARG 47 2HG ARG 47 13.952 -13.094 -12.780 331 1HD ARG 47 1HD ARG 47 14.094 -13.874 -15.291 332 2HD ARG 47 2HD ARG 47 14.209 -12.171 -15.704 333 HE ARG 47 HE ARG 47 16.327 -13.663 -14.133 334 1HH1 ARG 47 1HH1 ARG 47 15.348 -10.694 -15.833 335 2HH1 ARG 47 2HH1 ARG 47 17.079 -10.088 -15.795 336 1HH2 ARG 47 1HH2 ARG 47 18.257 -12.873 -14.148 337 2HH2 ARG 47 2HH2 ARG 47 18.612 -11.239 -14.905 338 H MET 48 H MET 48 13.965 -8.294 -12.284 339 HA MET 48 HA MET 48 16.547 -8.091 -11.084 340 1HB MET 48 1HB MET 48 15.065 -6.243 -12.357 341 2HB MET 48 2HB MET 48 16.457 -5.836 -11.370 342 1HG MET 48 1HG MET 48 14.020 -5.881 -9.686 343 2HG MET 48 2HG MET 48 13.810 -4.816 -11.086 344 1HE MET 48 1HE MET 48 14.372 -2.361 -10.903 345 2HE MET 48 2HE MET 48 16.020 -1.813 -10.482 346 3HE MET 48 3HE MET 48 15.780 -2.954 -11.837 347 H LEU 49 H LEU 49 13.370 -8.073 -9.568 348 HA LEU 49 HA LEU 49 13.842 -7.011 -6.964 349 1HB LEU 49 1HB LEU 49 12.127 -9.517 -7.413 350 2HB LEU 49 2HB LEU 49 11.624 -7.942 -7.986 351 HG LEU 49 HG LEU 49 10.515 -7.864 -5.984 352 1HD1 LEU 49 1HD1 LEU 49 11.084 -9.188 -3.946 353 2HD1 LEU 49 2HD1 LEU 49 11.055 -10.229 -5.380 354 3HD1 LEU 49 3HD1 LEU 49 12.615 -9.722 -4.686 355 1HD2 LEU 49 1HD2 LEU 49 13.322 -7.133 -4.904 356 2HD2 LEU 49 2HD2 LEU 49 12.169 -6.013 -5.671 357 3HD2 LEU 49 3HD2 LEU 49 11.773 -6.751 -4.112 358 H GLY 50 H GLY 50 14.174 -10.432 -7.966 359 1HA GLY 50 1HA GLY 50 16.637 -11.337 -7.234 360 2HA GLY 50 2HA GLY 50 16.049 -10.958 -5.610 361 H GLN 51 H GLN 51 14.477 -12.433 -8.454 362 HA GLN 51 HA GLN 51 14.051 -15.098 -7.086 363 1HB GLN 51 1HB GLN 51 11.978 -12.988 -7.018 364 2HB GLN 51 2HB GLN 51 11.407 -14.422 -7.851 365 1HG GLN 51 1HG GLN 51 12.203 -14.091 -4.943 366 2HG GLN 51 2HG GLN 51 12.503 -15.658 -5.659 367 1HE2 GLN 51 1HE2 GLN 51 8.494 -14.711 -6.034 368 2HE2 GLN 51 2HE2 GLN 51 9.799 -13.619 -6.721 369 H ASN 52 H ASN 52 12.026 -16.005 -8.720 370 HA ASN 52 HA ASN 52 12.661 -15.349 -11.583 371 1HB ASN 52 1HB ASN 52 14.261 -17.234 -10.617 372 2HB ASN 52 2HB ASN 52 12.891 -18.305 -10.810 373 1HD2 ASN 52 1HD2 ASN 52 14.939 -18.450 -13.969 374 2HD2 ASN 52 2HD2 ASN 52 15.234 -18.738 -12.181 375 HA PRO 53 HA PRO 53 8.121 -16.521 -10.909 376 1HB PRO 53 1HB PRO 53 7.519 -14.256 -10.749 377 2HB PRO 53 2HB PRO 53 6.987 -14.531 -12.416 378 1HG PRO 53 1HG PRO 53 8.878 -13.561 -13.407 379 2HG PRO 53 2HG PRO 53 8.822 -12.571 -11.929 380 1HD PRO 53 1HD PRO 53 10.702 -13.725 -10.989 381 2HD PRO 53 2HD PRO 53 11.028 -14.177 -12.688 382 H THR 54 H THR 54 6.290 -16.704 -12.695 383 HA THR 54 HA THR 54 7.427 -17.844 -15.300 384 HB THR 54 HB THR 54 6.432 -19.451 -13.292 385 HG1 THR 54 HG1 THR 54 6.490 -20.990 -14.856 386 1HG2 THR 54 1HG2 THR 54 4.291 -20.435 -14.042 387 2HG2 THR 54 2HG2 THR 54 4.049 -18.726 -13.615 388 3HG2 THR 54 3HG2 THR 54 4.129 -19.215 -15.327 389 H LYS 55 H LYS 55 5.438 -18.295 -16.810 390 HA LYS 55 HA LYS 55 4.364 -15.584 -17.448 391 1HB LYS 55 1HB LYS 55 3.376 -17.887 -19.102 392 2HB LYS 55 2HB LYS 55 4.046 -16.349 -19.604 393 1HG LYS 55 1HG LYS 55 5.518 -18.913 -18.884 394 2HG LYS 55 2HG LYS 55 5.562 -18.020 -20.393 395 1HD LYS 55 1HD LYS 55 7.036 -17.438 -17.765 396 2HD LYS 55 2HD LYS 55 7.676 -17.572 -19.395 397 1HE LYS 55 1HE LYS 55 5.781 -15.268 -18.783 398 2HE LYS 55 2HE LYS 55 7.441 -15.168 -18.201 399 1HZ LYS 55 1HZ LYS 55 6.431 -15.114 -20.954 400 2HZ LYS 55 2HZ LYS 55 7.905 -15.827 -20.732 401 3HZ LYS 55 3HZ LYS 55 7.668 -14.259 -20.270 402 H GLU 56 H GLU 56 3.136 -18.712 -16.347 403 HA GLU 56 HA GLU 56 0.248 -18.071 -16.608 404 1HB GLU 56 1HB GLU 56 1.812 -20.382 -15.420 405 2HB GLU 56 2HB GLU 56 0.127 -20.198 -14.975 406 1HG GLU 56 1HG GLU 56 0.946 -20.217 -17.937 407 2HG GLU 56 2HG GLU 56 0.820 -21.722 -17.043 408 H GLU 57 H GLU 57 2.709 -17.899 -14.090 409 HA GLU 57 HA GLU 57 0.961 -17.530 -11.749 410 1HB GLU 57 1HB GLU 57 3.621 -18.035 -11.997 411 2HB GLU 57 2HB GLU 57 2.807 -17.562 -10.521 412 1HG GLU 57 1HG GLU 57 4.653 -15.902 -12.304 413 2HG GLU 57 2HG GLU 57 3.443 -15.041 -11.362 414 H LEU 58 H LEU 58 2.564 -15.313 -14.011 415 HA LEU 58 HA LEU 58 2.033 -12.805 -12.632 416 1HB LEU 58 1HB LEU 58 2.563 -13.377 -15.604 417 2HB LEU 58 2HB LEU 58 2.443 -11.762 -14.936 418 HG LEU 58 HG LEU 58 4.423 -13.731 -13.685 419 1HD1 LEU 58 1HD1 LEU 58 4.717 -10.698 -14.202 420 2HD1 LEU 58 2HD1 LEU 58 4.076 -11.369 -12.695 421 3HD1 LEU 58 3HD1 LEU 58 5.754 -11.722 -13.176 422 1HD2 LEU 58 1HD2 LEU 58 6.144 -13.226 -15.379 423 2HD2 LEU 58 2HD2 LEU 58 4.714 -13.890 -16.208 424 3HD2 LEU 58 3HD2 LEU 58 5.033 -12.146 -16.258 425 H ASP 59 H ASP 59 0.197 -14.752 -14.926 426 HA ASP 59 HA ASP 59 -1.851 -12.981 -15.833 427 1HB ASP 59 1HB ASP 59 -2.099 -15.981 -15.235 428 2HB ASP 59 2HB ASP 59 -1.657 -15.238 -16.754 429 H ALA 60 H ALA 60 -1.492 -14.615 -12.736 430 HA ALA 60 HA ALA 60 -4.199 -14.043 -11.671 431 1HB ALA 60 1HB ALA 60 -3.288 -14.873 -9.507 432 2HB ALA 60 2HB ALA 60 -2.882 -15.967 -10.844 433 3HB ALA 60 3HB ALA 60 -1.637 -14.885 -10.170 434 H ILE 61 H ILE 61 -0.950 -12.664 -11.131 435 HA ILE 61 HA ILE 61 -1.382 -10.635 -9.211 436 HB ILE 61 HB ILE 61 0.485 -10.617 -11.613 437 1HG1 ILE 61 1HG1 ILE 61 1.027 -10.929 -8.584 438 2HG1 ILE 61 2HG1 ILE 61 2.192 -11.108 -9.888 439 1HG2 ILE 61 1HG2 ILE 61 1.721 -8.692 -10.579 440 2HG2 ILE 61 2HG2 ILE 61 0.103 -8.205 -11.079 441 3HG2 ILE 61 3HG2 ILE 61 0.438 -8.506 -9.358 442 1HD1 ILE 61 1HD1 ILE 61 1.137 -13.182 -10.706 443 2HD1 ILE 61 2HD1 ILE 61 1.495 -13.315 -8.971 444 3HD1 ILE 61 3HD1 ILE 61 -0.175 -13.017 -9.507 445 H ILE 62 H ILE 62 -2.211 -10.655 -12.656 446 HA ILE 62 HA ILE 62 -3.156 -7.800 -12.723 447 HB ILE 62 HB ILE 62 -2.984 -9.998 -14.816 448 1HG1 ILE 62 1HG1 ILE 62 -1.640 -7.289 -14.356 449 2HG1 ILE 62 2HG1 ILE 62 -0.907 -8.847 -14.675 450 1HG2 ILE 62 1HG2 ILE 62 -4.067 -8.506 -16.520 451 2HG2 ILE 62 2HG2 ILE 62 -5.214 -8.913 -15.246 452 3HG2 ILE 62 3HG2 ILE 62 -4.448 -7.308 -15.258 453 1HD1 ILE 62 1HD1 ILE 62 -2.337 -7.143 -16.800 454 2HD1 ILE 62 2HD1 ILE 62 -0.595 -7.448 -16.640 455 3HD1 ILE 62 3HD1 ILE 62 -1.687 -8.782 -17.078 456 H GLU 63 H GLU 63 -4.460 -11.086 -12.591 457 HA GLU 63 HA GLU 63 -7.258 -10.726 -12.915 458 1HB GLU 63 1HB GLU 63 -6.037 -12.917 -12.475 459 2HB GLU 63 2HB GLU 63 -6.045 -12.541 -10.763 460 1HG GLU 63 1HG GLU 63 -8.384 -12.896 -10.543 461 2HG GLU 63 2HG GLU 63 -8.725 -12.495 -12.218 462 H GLU 64 H GLU 64 -5.209 -9.920 -10.156 463 HA GLU 64 HA GLU 64 -7.190 -9.332 -8.106 464 1HB GLU 64 1HB GLU 64 -4.310 -8.723 -8.534 465 2HB GLU 64 2HB GLU 64 -5.140 -7.488 -7.608 466 1HG GLU 64 1HG GLU 64 -4.007 -9.436 -6.299 467 2HG GLU 64 2HG GLU 64 -5.621 -8.962 -5.797 468 H VAL 65 H VAL 65 -5.359 -6.877 -9.951 469 HA VAL 65 HA VAL 65 -7.550 -4.838 -9.806 470 HB VAL 65 HB VAL 65 -6.136 -3.333 -11.043 471 1HG1 VAL 65 1HG1 VAL 65 -4.052 -5.559 -11.518 472 2HG1 VAL 65 2HG1 VAL 65 -5.225 -5.033 -12.740 473 3HG1 VAL 65 3HG1 VAL 65 -4.011 -3.885 -12.124 474 1HG2 VAL 65 1HG2 VAL 65 -4.224 -3.077 -9.540 475 2HG2 VAL 65 2HG2 VAL 65 -5.541 -3.770 -8.563 476 3HG2 VAL 65 3HG2 VAL 65 -4.221 -4.807 -9.120 477 H ASP 66 H ASP 66 -7.167 -3.895 -12.550 478 HA ASP 66 HA ASP 66 -7.980 -4.204 -14.796 479 1HB ASP 66 1HB ASP 66 -7.000 -6.818 -14.144 480 2HB ASP 66 2HB ASP 66 -8.602 -7.072 -14.795 481 H GLU 67 H GLU 67 -9.603 -3.092 -13.261 482 HA GLU 67 HA GLU 67 -12.214 -4.475 -12.749 483 1HB GLU 67 1HB GLU 67 -12.895 -1.852 -12.533 484 2HB GLU 67 2HB GLU 67 -12.222 -2.816 -11.233 485 1HG GLU 67 1HG GLU 67 -10.276 -1.313 -13.047 486 2HG GLU 67 2HG GLU 67 -11.242 -0.379 -11.918 487 H ASP 68 H ASP 68 -10.695 -2.507 -15.236 488 HA ASP 68 HA ASP 68 -13.190 -2.095 -16.849 489 1HB ASP 68 1HB ASP 68 -11.761 -0.268 -17.139 490 2HB ASP 68 2HB ASP 68 -11.570 -1.170 -18.625 491 H GLY 69 H GLY 69 -10.421 -4.266 -16.774 492 1HA GLY 69 1HA GLY 69 -10.330 -6.582 -17.622 493 2HA GLY 69 2HA GLY 69 -11.881 -6.314 -18.429 494 H SER 70 H SER 70 -8.959 -4.317 -18.646 495 HA SER 70 HA SER 70 -9.010 -4.312 -21.652 496 1HB SER 70 1HB SER 70 -7.160 -2.681 -21.485 497 2HB SER 70 2HB SER 70 -8.531 -2.214 -20.474 498 HG SER 70 HG SER 70 -6.742 -1.988 -19.268 499 H GLY 71 H GLY 71 -7.170 -5.751 -19.011 500 1HA GLY 71 1HA GLY 71 -5.851 -7.765 -20.844 501 2HA GLY 71 2HA GLY 71 -5.790 -7.779 -19.076 502 H THR 72 H THR 72 -5.058 -4.961 -18.866 503 HA THR 72 HA THR 72 -2.084 -5.184 -19.121 504 HB THR 72 HB THR 72 -1.767 -3.126 -20.501 505 HG1 THR 72 HG1 THR 72 -3.614 -2.680 -21.899 506 1HG2 THR 72 1HG2 THR 72 -2.129 -4.090 -22.737 507 2HG2 THR 72 2HG2 THR 72 -1.514 -5.360 -21.656 508 3HG2 THR 72 3HG2 THR 72 -3.240 -5.323 -22.100 509 H ILE 73 H ILE 73 -1.215 -2.788 -18.598 510 HA ILE 73 HA ILE 73 -2.836 -1.587 -16.298 511 HB ILE 73 HB ILE 73 0.038 -2.588 -16.137 512 1HG1 ILE 73 1HG1 ILE 73 -0.716 -3.693 -14.044 513 2HG1 ILE 73 2HG1 ILE 73 -2.291 -2.938 -14.146 514 1HG2 ILE 73 1HG2 ILE 73 0.389 -1.317 -14.024 515 2HG2 ILE 73 2HG2 ILE 73 0.043 -0.188 -15.341 516 3HG2 ILE 73 3HG2 ILE 73 -1.222 -0.571 -14.148 517 1HD1 ILE 73 1HD1 ILE 73 -1.271 -5.069 -16.113 518 2HD1 ILE 73 2HD1 ILE 73 -2.506 -5.259 -14.851 519 3HD1 ILE 73 3HD1 ILE 73 -2.831 -4.215 -16.254 520 H ASP 74 H ASP 74 -3.348 -0.172 -18.100 521 HA ASP 74 HA ASP 74 -1.335 1.472 -19.510 522 1HB ASP 74 1HB ASP 74 -4.142 2.550 -19.185 523 2HB ASP 74 2HB ASP 74 -3.070 2.600 -20.565 524 H PHE 75 H PHE 75 -1.042 3.769 -19.223 525 HA PHE 75 HA PHE 75 -0.137 4.618 -16.621 526 1HB PHE 75 1HB PHE 75 -1.160 6.589 -18.745 527 2HB PHE 75 2HB PHE 75 0.315 5.688 -18.973 528 HD1 PHE 75 HD1 PHE 75 -1.218 8.550 -17.288 529 HD2 PHE 75 HD2 PHE 75 2.272 6.032 -17.309 530 HE1 PHE 75 HE1 PHE 75 -0.003 10.205 -15.932 531 HE2 PHE 75 HE2 PHE 75 3.468 7.699 -15.946 532 HZ PHE 75 HZ PHE 75 2.336 9.781 -15.253 533 H GLU 76 H GLU 76 -3.330 4.634 -18.071 534 HA GLU 76 HA GLU 76 -4.573 6.423 -15.986 535 1HB GLU 76 1HB GLU 76 -6.641 6.183 -17.297 536 2HB GLU 76 2HB GLU 76 -5.910 4.961 -18.314 537 1HG GLU 76 1HG GLU 76 -4.135 6.890 -18.915 538 2HG GLU 76 2HG GLU 76 -5.684 6.772 -19.723 539 H GLU 77 H GLU 77 -3.411 4.111 -14.939 540 HA GLU 77 HA GLU 77 -5.689 2.856 -13.456 541 1HB GLU 77 1HB GLU 77 -5.739 1.486 -15.506 542 2HB GLU 77 2HB GLU 77 -4.043 1.093 -15.333 543 1HG GLU 77 1HG GLU 77 -5.899 0.368 -13.024 544 2HG GLU 77 2HG GLU 77 -4.411 -0.422 -13.532 545 H PHE 78 H PHE 78 -2.239 2.756 -14.307 546 HA PHE 78 HA PHE 78 -1.203 1.476 -11.924 547 1HB PHE 78 1HB PHE 78 0.149 1.840 -14.003 548 2HB PHE 78 2HB PHE 78 0.183 3.563 -13.728 549 HD1 PHE 78 HD1 PHE 78 1.621 4.487 -11.821 550 HD2 PHE 78 HD2 PHE 78 1.573 0.283 -12.735 551 HE1 PHE 78 HE1 PHE 78 3.690 4.170 -10.525 552 HE2 PHE 78 HE2 PHE 78 3.652 -0.011 -11.453 553 HZ PHE 78 HZ PHE 78 4.708 1.925 -10.338 554 H LEU 79 H LEU 79 -2.089 4.809 -12.632 555 HA LEU 79 HA LEU 79 -0.903 6.090 -10.254 556 1HB LEU 79 1HB LEU 79 -2.894 6.945 -12.381 557 2HB LEU 79 2HB LEU 79 -2.870 7.865 -10.892 558 HG LEU 79 HG LEU 79 -0.160 7.864 -11.450 559 1HD1 LEU 79 1HD1 LEU 79 -2.159 9.894 -12.628 560 2HD1 LEU 79 2HD1 LEU 79 -1.669 9.849 -10.924 561 3HD1 LEU 79 3HD1 LEU 79 -0.460 10.198 -12.184 562 1HD2 LEU 79 1HD2 LEU 79 0.254 8.207 -13.849 563 2HD2 LEU 79 2HD2 LEU 79 -0.573 6.639 -13.680 564 3HD2 LEU 79 3HD2 LEU 79 -1.479 8.054 -14.234 565 H VAL 80 H VAL 80 -4.097 4.758 -11.029 566 HA VAL 80 HA VAL 80 -5.492 5.580 -8.559 567 HB VAL 80 HB VAL 80 -6.134 3.682 -10.812 568 1HG1 VAL 80 1HG1 VAL 80 -7.889 5.849 -9.499 569 2HG1 VAL 80 2HG1 VAL 80 -6.760 6.191 -10.816 570 3HG1 VAL 80 3HG1 VAL 80 -8.115 5.071 -11.087 571 1HG2 VAL 80 1HG2 VAL 80 -8.156 2.782 -9.760 572 2HG2 VAL 80 2HG2 VAL 80 -6.790 2.364 -8.701 573 3HG2 VAL 80 3HG2 VAL 80 -7.868 3.697 -8.260 574 H MET 81 H MET 81 -3.501 2.848 -9.547 575 HA MET 81 HA MET 81 -3.961 0.937 -7.413 576 1HB MET 81 1HB MET 81 -2.458 0.713 -9.581 577 2HB MET 81 2HB MET 81 -1.175 1.369 -8.582 578 1HG MET 81 1HG MET 81 -2.723 -1.040 -7.513 579 2HG MET 81 2HG MET 81 -1.054 -0.546 -7.185 580 1HE MET 81 1HE MET 81 0.840 -1.807 -8.043 581 2HE MET 81 2HE MET 81 1.077 -2.242 -9.762 582 3HE MET 81 3HE MET 81 0.906 -0.526 -9.294 583 H MET 82 H MET 82 -1.355 3.380 -7.656 584 HA MET 82 HA MET 82 -0.371 2.979 -4.902 585 1HB MET 82 1HB MET 82 0.961 5.128 -5.388 586 2HB MET 82 2HB MET 82 0.197 5.178 -6.966 587 1HG MET 82 1HG MET 82 1.149 2.875 -7.498 588 2HG MET 82 2HG MET 82 2.375 4.120 -7.228 589 1HE MET 82 1HE MET 82 2.911 4.716 -4.530 590 2HE MET 82 2HE MET 82 4.342 3.829 -5.133 591 3HE MET 82 3HE MET 82 3.622 3.391 -3.556 592 H VAL 83 H VAL 83 -2.817 5.012 -6.352 593 HA VAL 83 HA VAL 83 -2.917 7.150 -4.332 594 HB VAL 83 HB VAL 83 -3.995 6.917 -6.829 595 1HG1 VAL 83 1HG1 VAL 83 -6.490 7.002 -6.695 596 2HG1 VAL 83 2HG1 VAL 83 -5.891 5.428 -6.153 597 3HG1 VAL 83 3HG1 VAL 83 -6.432 6.626 -4.954 598 1HG2 VAL 83 1HG2 VAL 83 -5.023 8.870 -4.665 599 2HG2 VAL 83 2HG2 VAL 83 -3.577 9.105 -5.674 600 3HG2 VAL 83 3HG2 VAL 83 -5.178 9.085 -6.428 601 NH1 ARG 84 NH1 ARG 84 -7.389 -1.493 -4.303 602 NH2 ARG 84 NH2 ARG 84 -9.328 -1.973 -5.384 603 H ARG 84 H ARG 84 -4.504 4.023 -4.761 604 HA ARG 84 HA ARG 84 -6.656 4.227 -2.772 605 1HB ARG 84 1HB ARG 84 -5.335 1.991 -4.296 606 2HB ARG 84 2HB ARG 84 -6.027 1.530 -2.748 607 1HG ARG 84 1HG ARG 84 -7.808 3.239 -4.488 608 2HG ARG 84 2HG ARG 84 -8.235 1.919 -3.396 609 1HD ARG 84 1HD ARG 84 -6.613 0.722 -5.465 610 2HD ARG 84 2HD ARG 84 -7.723 1.807 -6.304 611 HE ARG 84 HE ARG 84 -9.648 0.517 -5.246 612 1HH1 ARG 84 1HH1 ARG 84 -6.716 -0.777 -4.008 613 2HH1 ARG 84 2HH1 ARG 84 -7.318 -2.505 -4.147 614 1HH2 ARG 84 1HH2 ARG 84 -10.116 -1.629 -5.944 615 2HH2 ARG 84 2HH2 ARG 84 -9.140 -2.947 -5.121 616 H GLN 85 H GLN 85 -3.497 2.541 -2.553 617 HA GLN 85 HA GLN 85 -3.518 2.009 0.330 618 1HB GLN 85 1HB GLN 85 -1.317 2.103 -1.776 619 2HB GLN 85 2HB GLN 85 -0.881 2.026 -0.079 620 1HG GLN 85 1HG GLN 85 -2.798 -0.022 -0.256 621 2HG GLN 85 2HG GLN 85 -2.060 -0.094 -1.841 622 1HE2 GLN 85 1HE2 GLN 85 0.556 -0.708 1.356 623 2HE2 GLN 85 2HE2 GLN 85 -0.830 0.485 1.512 624 H MET 86 H MET 86 -2.549 4.759 -1.646 625 HA MET 86 HA MET 86 -0.924 6.321 0.115 626 1HB MET 86 1HB MET 86 -2.393 6.851 -2.344 627 2HB MET 86 2HB MET 86 -2.694 8.175 -1.233 628 1HG MET 86 1HG MET 86 -0.222 7.536 -2.740 629 2HG MET 86 2HG MET 86 0.121 7.783 -1.019 630 1HE MET 86 1HE MET 86 -3.128 9.382 -2.634 631 2HE MET 86 2HE MET 86 -2.505 10.914 -3.314 632 3HE MET 86 3HE MET 86 -2.056 9.357 -4.069 633 H LYS 87 H LYS 87 -4.473 6.202 -0.141 634 HA LYS 87 HA LYS 87 -5.088 8.044 2.120 635 1HB LYS 87 1HB LYS 87 -6.776 5.960 0.628 636 2HB LYS 87 2HB LYS 87 -7.367 6.742 2.086 637 1HG LYS 87 1HG LYS 87 -8.057 7.782 -0.183 638 2HG LYS 87 2HG LYS 87 -6.414 8.380 -0.336 639 1HD LYS 87 1HD LYS 87 -8.045 8.999 2.188 640 2HD LYS 87 2HD LYS 87 -6.639 9.843 1.549 641 1HE LYS 87 1HE LYS 87 -7.931 10.860 -0.281 642 2HE LYS 87 2HE LYS 87 -9.324 9.813 0.021 643 1HZ LYS 87 1HZ LYS 87 -8.437 12.164 1.515 644 2HZ LYS 87 2HZ LYS 87 -9.133 10.954 2.399 645 3HZ LYS 87 3HZ LYS 87 -9.968 11.654 1.157 646 H GLU 88 H GLU 88 -3.755 7.364 3.784 647 HA GLU 88 HA GLU 88 -4.609 4.810 5.229 648 1HB GLU 88 1HB GLU 88 -2.600 4.002 4.425 649 2HB GLU 88 2HB GLU 88 -1.811 5.567 4.397 650 1HG GLU 88 1HG GLU 88 -0.660 4.662 6.189 651 2HG GLU 88 2HG GLU 88 -2.000 5.330 7.104 652 H ASP 89 H ASP 89 -2.911 7.936 5.387 653 HA ASP 89 HA ASP 89 -2.646 9.577 7.129 654 1HB ASP 89 1HB ASP 89 -5.357 8.453 8.038 655 2HB ASP 89 2HB ASP 89 -4.591 9.866 8.729 656 H ALA 90 H ALA 90 -0.973 7.682 7.474 657 HA ALA 90 HA ALA 90 0.458 6.568 9.068 658 1HB ALA 90 1HB ALA 90 0.449 7.500 11.397 659 2HB ALA 90 2HB ALA 90 0.406 8.807 10.197 660 3HB ALA 90 3HB ALA 90 -1.077 8.363 11.077 Start of MODEL 6 Raw file had 660 H/Q atoms Start of MODEL 6 1 1H ALA 1 1H ALA 1 -24.958 1.638 -18.369 2 2H ALA 1 2H ALA 1 -23.597 0.982 -19.106 3 3H ALA 1 3H ALA 1 -23.979 0.564 -17.523 4 HA ALA 1 HA ALA 1 -23.401 3.332 -18.365 5 1HB ALA 1 1HB ALA 1 -23.057 2.204 -15.543 6 2HB ALA 1 2HB ALA 1 -24.678 2.638 -16.120 7 3HB ALA 1 3HB ALA 1 -23.399 3.877 -16.042 8 H SER 2 H SER 2 -21.279 3.629 -16.573 9 HA SER 2 HA SER 2 -19.101 1.649 -17.185 10 1HB SER 2 1HB SER 2 -19.509 3.223 -19.293 11 2HB SER 2 2HB SER 2 -18.586 4.405 -18.361 12 HG SER 2 HG SER 2 -17.556 1.837 -18.373 13 H MET 3 H MET 3 -19.400 5.162 -16.541 14 HA MET 3 HA MET 3 -18.791 6.506 -14.633 15 1HB MET 3 1HB MET 3 -19.560 4.157 -13.467 16 2HB MET 3 2HB MET 3 -17.871 4.140 -12.994 17 1HG MET 3 1HG MET 3 -18.134 6.394 -11.893 18 2HG MET 3 2HG MET 3 -19.818 6.466 -12.429 19 1HE MET 3 1HE MET 3 -20.661 5.951 -8.840 20 2HE MET 3 2HE MET 3 -21.759 5.652 -10.219 21 3HE MET 3 3HE MET 3 -20.579 6.993 -10.296 22 H THR 4 H THR 4 -17.011 7.652 -14.730 23 HA THR 4 HA THR 4 -14.290 6.285 -14.904 24 HB THR 4 HB THR 4 -13.402 7.734 -16.429 25 HG1 THR 4 HG1 THR 4 -15.451 9.473 -15.640 26 1HG2 THR 4 1HG2 THR 4 -15.405 8.321 -18.191 27 2HG2 THR 4 2HG2 THR 4 -16.240 7.067 -17.246 28 3HG2 THR 4 3HG2 THR 4 -14.698 6.696 -18.060 29 H ASP 5 H ASP 5 -15.759 6.994 -12.553 30 HA ASP 5 HA ASP 5 -14.706 9.592 -11.460 31 1HB ASP 5 1HB ASP 5 -16.747 7.579 -10.521 32 2HB ASP 5 2HB ASP 5 -15.887 8.445 -9.269 33 H GLN 6 H GLN 6 -14.066 6.155 -11.259 34 HA GLN 6 HA GLN 6 -12.421 5.962 -8.883 35 1HB GLN 6 1HB GLN 6 -13.039 3.888 -9.794 36 2HB GLN 6 2HB GLN 6 -12.603 4.335 -11.432 37 1HG GLN 6 1HG GLN 6 -10.096 4.377 -10.489 38 2HG GLN 6 2HG GLN 6 -10.754 3.439 -9.166 39 1HE2 GLN 6 1HE2 GLN 6 -9.809 1.522 -12.587 40 2HE2 GLN 6 2HE2 GLN 6 -9.160 3.132 -11.992 41 H GLN 7 H GLN 7 -11.146 5.969 -12.224 42 HA GLN 7 HA GLN 7 -8.371 6.597 -11.465 43 1HB GLN 7 1HB GLN 7 -8.931 5.441 -13.623 44 2HB GLN 7 2HB GLN 7 -7.886 6.841 -13.823 45 1HG GLN 7 1HG GLN 7 -9.977 6.405 -15.460 46 2HG GLN 7 2HG GLN 7 -10.879 7.267 -14.223 47 1HE2 GLN 7 1HE2 GLN 7 -9.792 10.347 -15.704 48 2HE2 GLN 7 2HE2 GLN 7 -11.127 9.318 -14.980 49 H ALA 8 H ALA 8 -11.069 8.553 -12.732 50 HA ALA 8 HA ALA 8 -9.743 11.104 -13.132 51 1HB ALA 8 1HB ALA 8 -12.013 12.113 -12.973 52 2HB ALA 8 2HB ALA 8 -12.028 10.645 -13.969 53 3HB ALA 8 3HB ALA 8 -12.675 10.601 -12.309 54 H GLU 9 H GLU 9 -10.889 9.484 -10.236 55 HA GLU 9 HA GLU 9 -10.896 11.829 -8.419 56 1HB GLU 9 1HB GLU 9 -11.754 10.465 -6.805 57 2HB GLU 9 2HB GLU 9 -12.111 9.443 -8.190 58 1HG GLU 9 1HG GLU 9 -10.930 7.731 -7.303 59 2HG GLU 9 2HG GLU 9 -9.444 8.673 -7.342 60 H ALA 10 H ALA 10 -8.572 9.340 -9.325 61 HA ALA 10 HA ALA 10 -6.567 9.909 -7.221 62 1HB ALA 10 1HB ALA 10 -5.083 8.396 -8.526 63 2HB ALA 10 2HB ALA 10 -6.693 7.686 -8.303 64 3HB ALA 10 3HB ALA 10 -6.238 8.380 -9.880 65 NH1 ARG 11 NH1 ARG 11 -5.165 9.727 -15.674 66 NH2 ARG 11 NH2 ARG 11 -6.140 10.769 -17.442 67 H ARG 11 H ARG 11 -7.185 11.038 -10.494 68 HA ARG 11 HA ARG 11 -4.554 12.359 -10.986 69 1HB ARG 11 1HB ARG 11 -6.296 11.501 -12.765 70 2HB ARG 11 2HB ARG 11 -7.161 12.998 -12.454 71 1HG ARG 11 1HG ARG 11 -5.848 14.112 -13.899 72 2HG ARG 11 2HG ARG 11 -4.436 13.813 -12.883 73 1HD ARG 11 1HD ARG 11 -3.827 12.907 -15.015 74 2HD ARG 11 2HD ARG 11 -4.212 11.485 -14.044 75 HE ARG 11 HE ARG 11 -6.445 12.623 -15.767 76 1HH1 ARG 11 1HH1 ARG 11 -4.797 9.801 -14.720 77 2HH1 ARG 11 2HH1 ARG 11 -5.194 8.884 -16.258 78 1HH2 ARG 11 1HH2 ARG 11 -6.487 11.645 -17.848 79 2HH2 ARG 11 2HH2 ARG 11 -6.126 9.847 -17.891 80 H ALA 12 H ALA 12 -7.793 13.372 -9.946 81 HA ALA 12 HA ALA 12 -7.297 16.294 -9.893 82 1HB ALA 12 1HB ALA 12 -9.440 16.438 -8.641 83 2HB ALA 12 2HB ALA 12 -9.598 15.397 -10.070 84 3HB ALA 12 3HB ALA 12 -9.482 14.668 -8.448 85 H PHE 13 H PHE 13 -6.983 13.629 -7.593 86 HA PHE 13 HA PHE 13 -6.561 15.220 -5.150 87 1HB PHE 13 1HB PHE 13 -5.902 12.297 -5.809 88 2HB PHE 13 2HB PHE 13 -7.359 12.892 -5.058 89 HD1 PHE 13 HD1 PHE 13 -5.011 14.961 -3.540 90 HD2 PHE 13 HD2 PHE 13 -6.032 10.780 -3.650 91 HE1 PHE 13 HE1 PHE 13 -3.991 14.642 -1.323 92 HE2 PHE 13 HE2 PHE 13 -5.008 10.483 -1.433 93 HZ PHE 13 HZ PHE 13 -3.983 12.406 -0.268 94 H LEU 14 H LEU 14 -4.405 13.563 -7.457 95 HA LEU 14 HA LEU 14 -1.864 14.558 -6.199 96 1HB LEU 14 1HB LEU 14 -2.103 13.253 -8.963 97 2HB LEU 14 2HB LEU 14 -0.681 13.362 -7.947 98 HG LEU 14 HG LEU 14 -3.077 11.826 -6.856 99 1HD1 LEU 14 1HD1 LEU 14 -2.375 9.749 -8.051 100 2HD1 LEU 14 2HD1 LEU 14 -2.887 10.993 -9.205 101 3HD1 LEU 14 3HD1 LEU 14 -1.153 10.660 -8.974 102 1HD2 LEU 14 1HD2 LEU 14 -0.025 11.366 -6.632 103 2HD2 LEU 14 2HD2 LEU 14 -1.074 12.075 -5.379 104 3HD2 LEU 14 3HD2 LEU 14 -1.285 10.381 -5.846 105 H SER 15 H SER 15 -0.284 15.719 -7.588 106 HA SER 15 HA SER 15 -1.617 18.076 -9.005 107 1HB SER 15 1HB SER 15 0.805 19.094 -8.576 108 2HB SER 15 2HB SER 15 0.938 17.801 -7.381 109 HG SER 15 HG SER 15 -1.413 19.329 -7.475 110 H GLU 16 H GLU 16 0.262 19.115 -10.505 111 HA GLU 16 HA GLU 16 0.582 17.230 -12.806 112 1HB GLU 16 1HB GLU 16 1.127 20.208 -12.448 113 2HB GLU 16 2HB GLU 16 -0.139 19.433 -13.379 114 1HG GLU 16 1HG GLU 16 2.072 18.433 -14.717 115 2HG GLU 16 2HG GLU 16 2.763 19.923 -14.099 116 H GLU 17 H GLU 17 2.581 18.817 -10.384 117 HA GLU 17 HA GLU 17 5.208 17.920 -11.568 118 1HB GLU 17 1HB GLU 17 4.547 19.490 -9.028 119 2HB GLU 17 2HB GLU 17 6.171 18.945 -9.398 120 1HG GLU 17 1HG GLU 17 5.420 21.400 -10.053 121 2HG GLU 17 2HG GLU 17 6.458 20.498 -11.144 122 H MET 18 H MET 18 3.041 17.161 -8.868 123 HA MET 18 HA MET 18 4.715 15.178 -7.459 124 1HB MET 18 1HB MET 18 1.711 15.746 -7.434 125 2HB MET 18 2HB MET 18 2.349 14.309 -6.656 126 1HG MET 18 1HG MET 18 4.029 16.124 -5.481 127 2HG MET 18 2HG MET 18 2.676 17.209 -5.841 128 1HE MET 18 1HE MET 18 0.569 14.372 -5.880 129 2HE MET 18 2HE MET 18 -0.257 14.680 -4.324 130 3HE MET 18 3HE MET 18 -0.017 16.018 -5.485 131 H ILE 19 H ILE 19 2.422 15.079 -10.144 132 HA ILE 19 HA ILE 19 2.137 12.149 -10.348 133 HB ILE 19 HB ILE 19 1.334 14.482 -12.062 134 1HG1 ILE 19 1HG1 ILE 19 -0.067 13.096 -10.218 135 2HG1 ILE 19 2HG1 ILE 19 -0.325 11.967 -11.531 136 1HG2 ILE 19 1HG2 ILE 19 0.676 13.054 -14.015 137 2HG2 ILE 19 2HG2 ILE 19 2.425 13.020 -13.798 138 3HG2 ILE 19 3HG2 ILE 19 1.447 11.634 -13.265 139 1HD1 ILE 19 1HD1 ILE 19 -1.451 13.671 -12.936 140 2HD1 ILE 19 2HD1 ILE 19 -2.210 13.581 -11.334 141 3HD1 ILE 19 3HD1 ILE 19 -1.118 14.932 -11.718 142 H ALA 20 H ALA 20 4.332 14.583 -11.669 143 HA ALA 20 HA ALA 20 5.716 13.077 -13.704 144 1HB ALA 20 1HB ALA 20 7.564 14.727 -13.441 145 2HB ALA 20 2HB ALA 20 5.978 15.523 -13.449 146 3HB ALA 20 3HB ALA 20 6.862 15.315 -11.916 147 H GLU 21 H GLU 21 6.103 13.139 -10.200 148 HA GLU 21 HA GLU 21 8.684 11.849 -9.842 149 1HB GLU 21 1HB GLU 21 6.398 11.263 -7.931 150 2HB GLU 21 2HB GLU 21 6.960 12.915 -8.095 151 1HG GLU 21 1HG GLU 21 9.045 10.742 -7.574 152 2HG GLU 21 2HG GLU 21 7.973 11.192 -6.259 153 H PHE 22 H PHE 22 5.394 10.524 -10.177 154 HA PHE 22 HA PHE 22 6.250 7.656 -10.055 155 1HB PHE 22 1HB PHE 22 3.489 8.686 -10.931 156 2HB PHE 22 2HB PHE 22 3.906 7.090 -10.367 157 HD1 PHE 22 HD1 PHE 22 3.621 10.656 -9.185 158 HD2 PHE 22 HD2 PHE 22 3.969 6.529 -8.011 159 HE1 PHE 22 HE1 PHE 22 3.114 11.264 -6.857 160 HE2 PHE 22 HE2 PHE 22 3.463 7.159 -5.687 161 HZ PHE 22 HZ PHE 22 3.044 9.524 -5.103 162 H LYS 23 H LYS 23 5.807 10.101 -12.493 163 HA LYS 23 HA LYS 23 5.289 8.627 -14.918 164 1HB LYS 23 1HB LYS 23 6.105 11.300 -14.299 165 2HB LYS 23 2HB LYS 23 7.357 10.695 -15.361 166 1HG LYS 23 1HG LYS 23 5.107 11.906 -16.270 167 2HG LYS 23 2HG LYS 23 4.471 10.272 -16.198 168 1HD LYS 23 1HD LYS 23 6.937 11.161 -17.817 169 2HD LYS 23 2HD LYS 23 6.434 9.475 -17.653 170 1HE LYS 23 1HE LYS 23 4.048 10.403 -18.526 171 2HE LYS 23 2HE LYS 23 5.021 11.742 -19.151 172 1HZ LYS 23 1HZ LYS 23 6.479 9.738 -20.045 173 2HZ LYS 23 2HZ LYS 23 5.158 10.277 -20.877 174 3HZ LYS 23 3HZ LYS 23 5.048 8.919 -19.943 175 H ALA 24 H ALA 24 8.417 9.378 -13.360 176 HA ALA 24 HA ALA 24 10.194 8.118 -15.285 177 1HB ALA 24 1HB ALA 24 11.904 8.165 -13.480 178 2HB ALA 24 2HB ALA 24 11.017 9.699 -13.566 179 3HB ALA 24 3HB ALA 24 10.657 8.535 -12.265 180 H ALA 25 H ALA 25 9.439 6.868 -12.018 181 HA ALA 25 HA ALA 25 10.455 4.200 -12.249 182 1HB ALA 25 1HB ALA 25 8.965 3.615 -10.345 183 2HB ALA 25 2HB ALA 25 9.743 5.188 -10.090 184 3HB ALA 25 3HB ALA 25 8.029 5.111 -10.574 185 H PHE 26 H PHE 26 7.499 5.579 -13.509 186 HA PHE 26 HA PHE 26 5.832 3.192 -13.809 187 1HB PHE 26 1HB PHE 26 4.676 5.251 -14.049 188 2HB PHE 26 2HB PHE 26 5.799 5.905 -15.210 189 HD1 PHE 26 HD1 PHE 26 5.726 5.009 -17.643 190 HD2 PHE 26 HD2 PHE 26 2.773 3.885 -14.724 191 HE1 PHE 26 HE1 PHE 26 4.295 4.096 -19.427 192 HE2 PHE 26 HE2 PHE 26 1.352 2.983 -16.521 193 HZ PHE 26 HZ PHE 26 2.121 3.060 -18.868 194 H ASP 27 H ASP 27 7.975 4.877 -16.128 195 HA ASP 27 HA ASP 27 7.727 2.929 -18.328 196 1HB ASP 27 1HB ASP 27 8.465 5.004 -19.108 197 2HB ASP 27 2HB ASP 27 9.903 4.014 -19.193 198 H MET 28 H MET 28 9.821 3.269 -15.522 199 HA MET 28 HA MET 28 11.963 1.429 -16.136 200 1HB MET 28 1HB MET 28 10.911 1.449 -13.286 201 2HB MET 28 2HB MET 28 11.508 2.954 -13.960 202 1HG MET 28 1HG MET 28 13.750 1.964 -14.388 203 2HG MET 28 2HG MET 28 13.177 0.362 -13.893 204 1HE MET 28 1HE MET 28 12.845 4.141 -12.501 205 2HE MET 28 2HE MET 28 13.964 4.012 -11.111 206 3HE MET 28 3HE MET 28 14.584 3.802 -12.775 207 H PHE 29 H PHE 29 8.763 0.847 -14.692 208 HA PHE 29 HA PHE 29 9.130 -2.081 -14.309 209 1HB PHE 29 1HB PHE 29 6.553 -0.397 -14.245 210 2HB PHE 29 2HB PHE 29 6.623 -2.095 -13.857 211 HD1 PHE 29 HD1 PHE 29 5.528 -0.514 -11.778 212 HD2 PHE 29 HD2 PHE 29 9.712 -1.079 -12.624 213 HE1 PHE 29 HE1 PHE 29 6.090 0.072 -9.455 214 HE2 PHE 29 HE2 PHE 29 10.250 -0.483 -10.299 215 HZ PHE 29 HZ PHE 29 8.448 0.095 -8.714 216 H ASP 30 H ASP 30 7.761 0.056 -16.757 217 HA ASP 30 HA ASP 30 6.235 -1.736 -18.390 218 1HB ASP 30 1HB ASP 30 7.934 0.406 -19.741 219 2HB ASP 30 2HB ASP 30 6.661 0.877 -18.638 220 H ALA 31 H ALA 31 9.700 -0.910 -18.698 221 HA ALA 31 HA ALA 31 11.575 -2.341 -19.244 222 1HB ALA 31 1HB ALA 31 11.237 -4.708 -19.932 223 2HB ALA 31 2HB ALA 31 10.343 -4.327 -18.448 224 3HB ALA 31 3HB ALA 31 9.474 -4.476 -19.997 225 H ASP 32 H ASP 32 8.783 -2.276 -21.456 226 HA ASP 32 HA ASP 32 10.601 -1.923 -23.874 227 1HB ASP 32 1HB ASP 32 9.068 -2.977 -25.135 228 2HB ASP 32 2HB ASP 32 8.336 -3.483 -23.629 229 H GLY 33 H GLY 33 7.810 -0.422 -22.226 230 1HA GLY 33 1HA GLY 33 7.472 1.989 -21.811 231 2HA GLY 33 2HA GLY 33 8.808 2.322 -22.888 232 H GLY 34 H GLY 34 5.700 0.568 -23.233 233 1HA GLY 34 1HA GLY 34 5.232 1.754 -25.985 234 2HA GLY 34 2HA GLY 34 4.320 0.422 -25.264 235 H GLY 35 H GLY 35 3.843 1.709 -22.730 236 1HA GLY 35 1HA GLY 35 2.762 4.017 -22.041 237 2HA GLY 35 2HA GLY 35 1.805 3.862 -23.521 238 H ASP 36 H ASP 36 2.670 1.263 -21.279 239 HA ASP 36 HA ASP 36 0.359 0.900 -19.659 240 1HB ASP 36 1HB ASP 36 -0.885 -0.910 -21.184 241 2HB ASP 36 2HB ASP 36 -1.329 0.781 -21.182 242 H ILE 37 H ILE 37 0.666 -0.822 -18.409 243 HA ILE 37 HA ILE 37 3.115 -2.541 -18.957 244 HB ILE 37 HB ILE 37 1.869 -2.783 -16.270 245 1HG1 ILE 37 1HG1 ILE 37 2.916 -0.065 -17.184 246 2HG1 ILE 37 2HG1 ILE 37 1.526 -0.444 -16.186 247 1HG2 ILE 37 1HG2 ILE 37 4.214 -2.898 -15.519 248 2HG2 ILE 37 2HG2 ILE 37 3.983 -3.951 -16.922 249 3HG2 ILE 37 3HG2 ILE 37 4.800 -2.383 -17.119 250 1HD1 ILE 37 1HD1 ILE 37 4.449 -0.610 -15.236 251 2HD1 ILE 37 2HD1 ILE 37 3.225 0.593 -14.776 252 3HD1 ILE 37 3HD1 ILE 37 3.035 -1.099 -14.262 253 H SER 38 H SER 38 2.833 -4.748 -17.613 254 HA SER 38 HA SER 38 0.230 -6.139 -18.190 255 1HB SER 38 1HB SER 38 2.517 -6.317 -20.115 256 2HB SER 38 2HB SER 38 1.807 -7.867 -19.656 257 HG SER 38 HG SER 38 0.318 -7.372 -20.984 258 H THR 39 H THR 39 1.037 -8.713 -18.139 259 HA THR 39 HA THR 39 1.968 -9.100 -15.307 260 HB THR 39 HB THR 39 1.641 -11.674 -16.420 261 HG1 THR 39 HG1 THR 39 -0.617 -10.194 -17.127 262 1HG2 THR 39 1HG2 THR 39 -0.392 -11.836 -15.052 263 2HG2 THR 39 2HG2 THR 39 0.842 -10.941 -14.134 264 3HG2 THR 39 3HG2 THR 39 -0.509 -10.068 -14.905 265 H LYS 40 H LYS 40 2.990 -10.052 -18.594 266 HA LYS 40 HA LYS 40 5.528 -11.310 -17.721 267 1HB LYS 40 1HB LYS 40 4.470 -10.509 -20.476 268 2HB LYS 40 2HB LYS 40 4.410 -12.103 -19.771 269 1HG LYS 40 1HG LYS 40 6.792 -12.415 -20.145 270 2HG LYS 40 2HG LYS 40 7.101 -10.702 -20.247 271 1HD LYS 40 1HD LYS 40 6.203 -10.567 -22.546 272 2HD LYS 40 2HD LYS 40 7.396 -11.824 -22.395 273 1HE LYS 40 1HE LYS 40 4.646 -12.884 -22.001 274 2HE LYS 40 2HE LYS 40 4.901 -12.193 -23.597 275 1HZ LYS 40 1HZ LYS 40 6.106 -14.557 -22.375 276 2HZ LYS 40 2HZ LYS 40 7.111 -13.683 -23.353 277 3HZ LYS 40 3HZ LYS 40 5.692 -14.283 -23.950 278 H GLU 41 H GLU 41 4.629 -8.270 -19.371 279 HA GLU 41 HA GLU 41 7.108 -6.854 -19.564 280 1HB GLU 41 1HB GLU 41 5.331 -4.855 -18.708 281 2HB GLU 41 2HB GLU 41 4.268 -6.060 -19.403 282 1HG GLU 41 1HG GLU 41 6.275 -4.270 -20.767 283 2HG GLU 41 2HG GLU 41 6.189 -5.899 -21.402 284 H LEU 42 H LEU 42 4.805 -6.433 -16.859 285 HA LEU 42 HA LEU 42 6.592 -5.170 -14.969 286 1HB LEU 42 1HB LEU 42 4.113 -5.224 -14.691 287 2HB LEU 42 2HB LEU 42 4.149 -6.947 -14.388 288 HG LEU 42 HG LEU 42 5.854 -6.130 -12.377 289 1HD1 LEU 42 1HD1 LEU 42 4.933 -4.049 -11.319 290 2HD1 LEU 42 2HD1 LEU 42 5.653 -3.704 -12.899 291 3HD1 LEU 42 3HD1 LEU 42 3.881 -3.779 -12.732 292 1HD2 LEU 42 1HD2 LEU 42 2.767 -6.173 -12.167 293 2HD2 LEU 42 2HD2 LEU 42 3.842 -7.587 -12.044 294 3HD2 LEU 42 3HD2 LEU 42 3.912 -6.318 -10.808 295 H GLY 43 H GLY 43 6.050 -8.559 -15.757 296 1HA GLY 43 1HA GLY 43 7.060 -10.046 -13.579 297 2HA GLY 43 2HA GLY 43 7.341 -10.543 -15.252 298 H THR 44 H THR 44 8.881 -8.146 -15.923 299 HA THR 44 HA THR 44 11.549 -9.230 -15.473 300 HB THR 44 HB THR 44 10.439 -6.946 -16.961 301 HG1 THR 44 HG1 THR 44 11.494 -9.022 -17.569 302 1HG2 THR 44 1HG2 THR 44 12.565 -5.645 -17.170 303 2HG2 THR 44 2HG2 THR 44 11.887 -5.508 -15.534 304 3HG2 THR 44 3HG2 THR 44 13.283 -6.576 -15.832 305 H VAL 45 H VAL 45 10.015 -6.259 -14.209 306 HA VAL 45 HA VAL 45 12.230 -5.424 -12.481 307 HB VAL 45 HB VAL 45 9.438 -4.505 -12.926 308 1HG1 VAL 45 1HG1 VAL 45 11.965 -2.878 -12.238 309 2HG1 VAL 45 2HG1 VAL 45 11.566 -3.406 -13.877 310 3HG1 VAL 45 3HG1 VAL 45 10.473 -2.296 -13.022 311 1HG2 VAL 45 1HG2 VAL 45 9.153 -3.189 -10.890 312 2HG2 VAL 45 2HG2 VAL 45 9.415 -4.869 -10.366 313 3HG2 VAL 45 3HG2 VAL 45 10.736 -3.698 -10.246 314 H MET 46 H MET 46 9.402 -7.492 -12.051 315 HA MET 46 HA MET 46 9.436 -7.862 -9.142 316 1HB MET 46 1HB MET 46 8.262 -9.446 -11.450 317 2HB MET 46 2HB MET 46 8.453 -10.266 -9.912 318 1HG MET 46 1HG MET 46 6.428 -8.263 -10.702 319 2HG MET 46 2HG MET 46 7.229 -7.785 -9.196 320 1HE MET 46 1HE MET 46 6.235 -11.324 -10.905 321 2HE MET 46 2HE MET 46 4.821 -11.731 -9.889 322 3HE MET 46 3HE MET 46 4.767 -10.299 -10.957 323 NH1 ARG 47 NH1 ARG 47 17.973 -13.286 -13.927 324 NH2 ARG 47 NH2 ARG 47 17.984 -14.612 -12.080 325 H ARG 47 H ARG 47 11.148 -9.385 -11.833 326 HA ARG 47 HA ARG 47 12.394 -11.676 -10.595 327 1HB ARG 47 1HB ARG 47 14.063 -10.049 -12.533 328 2HB ARG 47 2HB ARG 47 12.505 -10.640 -13.095 329 1HG ARG 47 1HG ARG 47 13.317 -12.725 -13.428 330 2HG ARG 47 2HG ARG 47 13.801 -12.859 -11.737 331 1HD ARG 47 1HD ARG 47 15.498 -12.244 -14.144 332 2HD ARG 47 2HD ARG 47 15.806 -11.175 -12.784 333 HE ARG 47 HE ARG 47 15.885 -13.623 -11.475 334 1HH1 ARG 47 1HH1 ARG 47 17.486 -12.567 -14.472 335 2HH1 ARG 47 2HH1 ARG 47 18.869 -13.730 -14.156 336 1HH2 ARG 47 1HH2 ARG 47 17.509 -14.905 -11.220 337 2HH2 ARG 47 2HH2 ARG 47 18.880 -14.962 -12.438 338 H MET 48 H MET 48 13.310 -8.247 -10.599 339 HA MET 48 HA MET 48 15.734 -8.642 -8.853 340 1HB MET 48 1HB MET 48 14.783 -5.841 -9.214 341 2HB MET 48 2HB MET 48 16.375 -6.547 -9.418 342 1HG MET 48 1HG MET 48 15.324 -7.557 -11.702 343 2HG MET 48 2HG MET 48 14.187 -6.206 -11.500 344 1HE MET 48 1HE MET 48 14.630 -3.870 -12.365 345 2HE MET 48 2HE MET 48 16.067 -3.605 -13.396 346 3HE MET 48 3HE MET 48 14.973 -4.980 -13.728 347 H LEU 49 H LEU 49 14.361 -9.728 -7.233 348 HA LEU 49 HA LEU 49 13.594 -7.793 -5.029 349 1HB LEU 49 1HB LEU 49 11.600 -9.944 -5.952 350 2HB LEU 49 2HB LEU 49 11.477 -8.261 -6.416 351 HG LEU 49 HG LEU 49 9.981 -8.329 -4.632 352 1HD1 LEU 49 1HD1 LEU 49 12.572 -7.694 -3.086 353 2HD1 LEU 49 2HD1 LEU 49 11.758 -6.559 -4.180 354 3HD1 LEU 49 3HD1 LEU 49 10.929 -7.118 -2.706 355 1HD2 LEU 49 1HD2 LEU 49 10.140 -9.690 -2.588 356 2HD2 LEU 49 2HD2 LEU 49 10.543 -10.752 -3.960 357 3HD2 LEU 49 3HD2 LEU 49 11.835 -10.117 -2.931 358 H GLY 50 H GLY 50 13.601 -11.212 -6.076 359 1HA GLY 50 1HA GLY 50 14.216 -12.394 -3.439 360 2HA GLY 50 2HA GLY 50 15.728 -12.149 -4.325 361 H GLN 51 H GLN 51 12.449 -13.128 -5.343 362 HA GLN 51 HA GLN 51 13.490 -15.854 -6.262 363 1HB GLN 51 1HB GLN 51 10.932 -14.895 -5.080 364 2HB GLN 51 2HB GLN 51 10.691 -15.898 -6.498 365 1HG GLN 51 1HG GLN 51 12.100 -16.662 -3.886 366 2HG GLN 51 2HG GLN 51 10.633 -17.344 -4.554 367 1HE2 GLN 51 1HE2 GLN 51 12.402 -19.641 -6.735 368 2HE2 GLN 51 2HE2 GLN 51 10.820 -18.759 -6.441 369 H ASN 52 H ASN 52 11.578 -16.479 -8.105 370 HA ASN 52 HA ASN 52 11.376 -14.365 -10.208 371 1HB ASN 52 1HB ASN 52 12.940 -16.860 -11.025 372 2HB ASN 52 2HB ASN 52 13.775 -15.510 -10.288 373 1HD2 ASN 52 1HD2 ASN 52 14.063 -14.741 -13.879 374 2HD2 ASN 52 2HD2 ASN 52 14.851 -15.620 -12.475 375 HA PRO 53 HA PRO 53 7.946 -17.623 -10.357 376 1HB PRO 53 1HB PRO 53 6.482 -16.195 -9.208 377 2HB PRO 53 2HB PRO 53 5.834 -15.931 -10.835 378 1HG PRO 53 1HG PRO 53 6.948 -13.894 -11.179 379 2HG PRO 53 2HG PRO 53 6.736 -13.783 -9.417 380 1HD PRO 53 1HD PRO 53 9.053 -14.269 -9.023 381 2HD PRO 53 2HD PRO 53 9.241 -13.707 -10.711 382 H THR 54 H THR 54 6.061 -17.851 -12.081 383 HA THR 54 HA THR 54 7.332 -17.606 -14.847 384 HB THR 54 HB THR 54 6.636 -19.926 -13.794 385 HG1 THR 54 HG1 THR 54 6.370 -20.656 -15.863 386 1HG2 THR 54 1HG2 THR 54 4.416 -20.757 -14.497 387 2HG2 THR 54 2HG2 THR 54 4.218 -19.421 -13.341 388 3HG2 THR 54 3HG2 THR 54 3.946 -19.143 -15.080 389 H LYS 55 H LYS 55 5.227 -17.858 -16.473 390 HA LYS 55 HA LYS 55 4.030 -15.106 -16.336 391 1HB LYS 55 1HB LYS 55 3.837 -17.265 -18.531 392 2HB LYS 55 2HB LYS 55 3.146 -15.662 -18.664 393 1HG LYS 55 1HG LYS 55 5.055 -14.892 -19.525 394 2HG LYS 55 2HG LYS 55 5.896 -15.196 -18.015 395 1HD LYS 55 1HD LYS 55 5.581 -17.684 -19.677 396 2HD LYS 55 2HD LYS 55 6.408 -16.392 -20.534 397 1HE LYS 55 1HE LYS 55 7.291 -17.232 -17.722 398 2HE LYS 55 2HE LYS 55 7.875 -18.077 -19.153 399 1HZ LYS 55 1HZ LYS 55 9.470 -16.467 -18.894 400 2HZ LYS 55 2HZ LYS 55 8.450 -15.338 -18.251 401 3HZ LYS 55 3HZ LYS 55 8.461 -15.609 -19.881 402 H GLU 56 H GLU 56 3.042 -18.491 -16.204 403 HA GLU 56 HA GLU 56 0.120 -18.030 -16.253 404 1HB GLU 56 1HB GLU 56 0.226 -20.529 -15.236 405 2HB GLU 56 2HB GLU 56 1.888 -20.443 -15.786 406 1HG GLU 56 1HG GLU 56 -0.386 -19.713 -17.714 407 2HG GLU 56 2HG GLU 56 1.247 -20.227 -18.103 408 H GLU 57 H GLU 57 2.605 -18.361 -13.775 409 HA GLU 57 HA GLU 57 0.736 -18.300 -11.439 410 1HB GLU 57 1HB GLU 57 3.389 -19.092 -11.760 411 2HB GLU 57 2HB GLU 57 2.454 -19.041 -10.281 412 1HG GLU 57 1HG GLU 57 4.685 -17.214 -11.208 413 2HG GLU 57 2HG GLU 57 3.389 -16.409 -10.333 414 H LEU 58 H LEU 58 2.660 -16.024 -13.316 415 HA LEU 58 HA LEU 58 2.328 -13.616 -11.689 416 1HB LEU 58 1HB LEU 58 3.230 -14.282 -14.449 417 2HB LEU 58 2HB LEU 58 2.435 -12.724 -14.354 418 HG LEU 58 HG LEU 58 4.478 -13.217 -12.189 419 1HD1 LEU 58 1HD1 LEU 58 6.448 -12.751 -13.699 420 2HD1 LEU 58 2HD1 LEU 58 5.707 -14.313 -14.075 421 3HD1 LEU 58 3HD1 LEU 58 5.400 -12.914 -15.131 422 1HD2 LEU 58 1HD2 LEU 58 3.992 -10.852 -14.115 423 2HD2 LEU 58 2HD2 LEU 58 3.340 -11.011 -12.465 424 3HD2 LEU 58 3HD2 LEU 58 5.089 -10.853 -12.711 425 H ASP 59 H ASP 59 0.332 -15.287 -14.058 426 HA ASP 59 HA ASP 59 -1.728 -13.433 -14.743 427 1HB ASP 59 1HB ASP 59 -1.615 -15.749 -15.669 428 2HB ASP 59 2HB ASP 59 -2.121 -16.416 -14.133 429 H ALA 60 H ALA 60 -1.102 -15.045 -11.691 430 HA ALA 60 HA ALA 60 -3.647 -14.383 -10.336 431 1HB ALA 60 1HB ALA 60 -2.480 -15.104 -8.257 432 2HB ALA 60 2HB ALA 60 -2.240 -16.269 -9.573 433 3HB ALA 60 3HB ALA 60 -0.921 -15.161 -9.114 434 H ILE 61 H ILE 61 -0.335 -13.047 -10.126 435 HA ILE 61 HA ILE 61 -0.621 -10.894 -8.316 436 HB ILE 61 HB ILE 61 1.056 -10.716 -10.867 437 1HG1 ILE 61 1HG1 ILE 61 2.836 -11.559 -8.964 438 2HG1 ILE 61 2HG1 ILE 61 1.971 -12.665 -10.030 439 1HG2 ILE 61 1HG2 ILE 61 2.569 -9.235 -9.519 440 2HG2 ILE 61 2HG2 ILE 61 0.964 -8.523 -9.668 441 3HG2 ILE 61 3HG2 ILE 61 1.439 -9.309 -8.144 442 1HD1 ILE 61 1HD1 ILE 61 0.297 -13.209 -8.293 443 2HD1 ILE 61 2HD1 ILE 61 1.942 -13.458 -7.671 444 3HD1 ILE 61 3HD1 ILE 61 1.022 -12.016 -7.180 445 H ILE 62 H ILE 62 -1.460 -10.987 -11.774 446 HA ILE 62 HA ILE 62 -2.406 -8.143 -11.882 447 HB ILE 62 HB ILE 62 -2.115 -10.365 -13.903 448 1HG1 ILE 62 1HG1 ILE 62 -1.207 -7.433 -13.697 449 2HG1 ILE 62 2HG1 ILE 62 -0.214 -8.875 -13.733 450 1HG2 ILE 62 1HG2 ILE 62 -3.400 -9.111 -15.658 451 2HG2 ILE 62 2HG2 ILE 62 -4.473 -9.602 -14.349 452 3HG2 ILE 62 3HG2 ILE 62 -3.923 -7.914 -14.448 453 1HD1 ILE 62 1HD1 ILE 62 -1.755 -7.775 -16.158 454 2HD1 ILE 62 2HD1 ILE 62 -0.001 -7.755 -15.882 455 3HD1 ILE 62 3HD1 ILE 62 -0.834 -9.304 -16.145 456 H GLU 63 H GLU 63 -3.729 -11.385 -11.513 457 HA GLU 63 HA GLU 63 -6.515 -11.087 -11.925 458 1HB GLU 63 1HB GLU 63 -5.205 -13.179 -11.145 459 2HB GLU 63 2HB GLU 63 -5.436 -12.612 -9.502 460 1HG GLU 63 1HG GLU 63 -7.284 -14.007 -9.651 461 2HG GLU 63 2HG GLU 63 -8.046 -12.534 -10.227 462 H GLU 64 H GLU 64 -5.000 -10.727 -8.699 463 HA GLU 64 HA GLU 64 -7.198 -9.659 -7.250 464 1HB GLU 64 1HB GLU 64 -4.216 -9.530 -6.873 465 2HB GLU 64 2HB GLU 64 -5.154 -8.372 -5.951 466 1HG GLU 64 1HG GLU 64 -4.637 -10.553 -4.735 467 2HG GLU 64 2HG GLU 64 -5.621 -11.424 -5.898 468 H VAL 65 H VAL 65 -4.491 -7.490 -8.020 469 HA VAL 65 HA VAL 65 -5.976 -5.014 -8.001 470 HB VAL 65 HB VAL 65 -3.824 -4.423 -7.851 471 1HG1 VAL 65 1HG1 VAL 65 -3.768 -4.414 -10.938 472 2HG1 VAL 65 2HG1 VAL 65 -4.657 -3.225 -9.967 473 3HG1 VAL 65 3HG1 VAL 65 -2.886 -3.336 -9.828 474 1HG2 VAL 65 1HG2 VAL 65 -1.839 -5.569 -8.689 475 2HG2 VAL 65 2HG2 VAL 65 -2.971 -6.844 -8.178 476 3HG2 VAL 65 3HG2 VAL 65 -2.774 -6.482 -9.898 477 H ASP 66 H ASP 66 -6.178 -3.580 -10.028 478 HA ASP 66 HA ASP 66 -6.975 -3.153 -12.278 479 1HB ASP 66 1HB ASP 66 -7.232 -6.052 -13.059 480 2HB ASP 66 2HB ASP 66 -5.609 -5.496 -12.722 481 H GLU 67 H GLU 67 -8.661 -2.650 -10.630 482 HA GLU 67 HA GLU 67 -11.055 -4.470 -10.443 483 1HB GLU 67 1HB GLU 67 -10.809 -1.632 -9.323 484 2HB GLU 67 2HB GLU 67 -10.107 -3.023 -8.518 485 1HG GLU 67 1HG GLU 67 -12.681 -2.033 -8.089 486 2HG GLU 67 2HG GLU 67 -13.029 -3.323 -9.227 487 H ASP 68 H ASP 68 -10.184 -3.303 -13.060 488 HA ASP 68 HA ASP 68 -12.681 -1.689 -13.789 489 1HB ASP 68 1HB ASP 68 -11.529 -0.086 -14.871 490 2HB ASP 68 2HB ASP 68 -10.152 -0.629 -13.940 491 H GLY 69 H GLY 69 -10.226 -4.046 -14.808 492 1HA GLY 69 1HA GLY 69 -12.256 -5.436 -16.617 493 2HA GLY 69 2HA GLY 69 -10.776 -6.170 -15.985 494 H SER 70 H SER 70 -8.953 -6.107 -17.115 495 HA SER 70 HA SER 70 -8.906 -5.280 -19.974 496 1HB SER 70 1HB SER 70 -7.079 -3.529 -19.722 497 2HB SER 70 2HB SER 70 -8.690 -3.032 -19.197 498 HG SER 70 HG SER 70 -7.188 -2.454 -17.681 499 H GLY 71 H GLY 71 -6.981 -5.940 -17.042 500 1HA GLY 71 1HA GLY 71 -5.524 -7.987 -16.796 501 2HA GLY 71 2HA GLY 71 -5.334 -8.018 -18.554 502 H THR 72 H THR 72 -4.898 -5.149 -18.788 503 HA THR 72 HA THR 72 -1.966 -5.043 -17.973 504 HB THR 72 HB THR 72 -1.879 -3.057 -19.627 505 HG1 THR 72 HG1 THR 72 -4.140 -4.291 -20.739 506 1HG2 THR 72 1HG2 THR 72 -1.599 -4.458 -21.632 507 2HG2 THR 72 2HG2 THR 72 -0.877 -5.296 -20.241 508 3HG2 THR 72 3HG2 THR 72 -2.455 -5.823 -20.882 509 H ILE 73 H ILE 73 -1.115 -3.224 -16.959 510 HA ILE 73 HA ILE 73 -3.087 -1.472 -15.399 511 HB ILE 73 HB ILE 73 -0.323 -2.523 -14.658 512 1HG1 ILE 73 1HG1 ILE 73 -1.899 -4.128 -13.920 513 2HG1 ILE 73 2HG1 ILE 73 -3.156 -2.945 -13.625 514 1HG2 ILE 73 1HG2 ILE 73 -0.298 -1.071 -12.634 515 2HG2 ILE 73 2HG2 ILE 73 -0.372 -0.060 -14.084 516 3HG2 ILE 73 3HG2 ILE 73 -1.835 -0.309 -13.102 517 1HD1 ILE 73 1HD1 ILE 73 -2.088 -2.157 -11.530 518 2HD1 ILE 73 2HD1 ILE 73 -2.322 -3.918 -11.498 519 3HD1 ILE 73 3HD1 ILE 73 -0.701 -3.249 -11.799 520 H ASP 74 H ASP 74 -3.348 0.070 -16.962 521 HA ASP 74 HA ASP 74 -1.173 1.390 -18.458 522 1HB ASP 74 1HB ASP 74 -2.769 2.758 -19.465 523 2HB ASP 74 2HB ASP 74 -3.774 2.871 -18.039 524 H PHE 75 H PHE 75 -1.415 4.031 -18.227 525 HA PHE 75 HA PHE 75 0.134 4.671 -15.794 526 1HB PHE 75 1HB PHE 75 0.552 5.791 -17.995 527 2HB PHE 75 2HB PHE 75 -1.017 6.548 -17.945 528 HD1 PHE 75 HD1 PHE 75 -0.638 8.877 -17.705 529 HD2 PHE 75 HD2 PHE 75 1.592 6.187 -15.192 530 HE1 PHE 75 HE1 PHE 75 0.353 10.791 -16.518 531 HE2 PHE 75 HE2 PHE 75 2.567 8.117 -14.012 532 HZ PHE 75 HZ PHE 75 1.960 10.416 -14.677 533 H GLU 76 H GLU 76 -3.147 5.395 -16.960 534 HA GLU 76 HA GLU 76 -4.044 7.123 -14.778 535 1HB GLU 76 1HB GLU 76 -5.136 6.613 -17.139 536 2HB GLU 76 2HB GLU 76 -6.056 7.215 -15.777 537 1HG GLU 76 1HG GLU 76 -5.949 4.194 -16.221 538 2HG GLU 76 2HG GLU 76 -7.179 5.152 -15.423 539 H GLU 77 H GLU 77 -4.366 3.622 -15.347 540 HA GLU 77 HA GLU 77 -5.797 2.986 -12.840 541 1HB GLU 77 1HB GLU 77 -5.622 1.595 -15.070 542 2HB GLU 77 2HB GLU 77 -4.162 0.934 -14.370 543 1HG GLU 77 1HG GLU 77 -5.304 -0.396 -12.848 544 2HG GLU 77 2HG GLU 77 -6.512 0.835 -12.500 545 H PHE 78 H PHE 78 -2.437 3.335 -13.728 546 HA PHE 78 HA PHE 78 -1.198 1.942 -11.471 547 1HB PHE 78 1HB PHE 78 -0.051 4.269 -13.138 548 2HB PHE 78 2HB PHE 78 0.013 2.590 -13.608 549 HD1 PHE 78 HD1 PHE 78 0.564 1.702 -10.497 550 HD2 PHE 78 HD2 PHE 78 2.421 4.447 -13.240 551 HE1 PHE 78 HE1 PHE 78 2.696 1.491 -9.283 552 HE2 PHE 78 HE2 PHE 78 4.544 4.221 -12.016 553 HZ PHE 78 HZ PHE 78 4.688 2.742 -10.043 554 H LEU 79 H LEU 79 -2.301 5.265 -11.990 555 HA LEU 79 HA LEU 79 -1.208 6.389 -9.468 556 1HB LEU 79 1HB LEU 79 -2.985 8.287 -10.065 557 2HB LEU 79 2HB LEU 79 -3.152 7.432 -11.583 558 HG LEU 79 HG LEU 79 -0.891 7.889 -12.265 559 1HD1 LEU 79 1HD1 LEU 79 -0.216 8.922 -9.440 560 2HD1 LEU 79 2HD1 LEU 79 0.209 7.309 -10.041 561 3HD1 LEU 79 3HD1 LEU 79 0.905 8.754 -10.815 562 1HD2 LEU 79 1HD2 LEU 79 -0.730 10.342 -12.247 563 2HD2 LEU 79 2HD2 LEU 79 -2.463 9.932 -12.296 564 3HD2 LEU 79 3HD2 LEU 79 -1.727 10.459 -10.775 565 H VAL 80 H VAL 80 -4.285 5.020 -10.521 566 HA VAL 80 HA VAL 80 -5.844 5.678 -8.097 567 HB VAL 80 HB VAL 80 -6.884 5.210 -10.328 568 1HG1 VAL 80 1HG1 VAL 80 -8.054 3.370 -8.150 569 2HG1 VAL 80 2HG1 VAL 80 -8.196 5.132 -8.102 570 3HG1 VAL 80 3HG1 VAL 80 -8.929 4.227 -9.446 571 1HG2 VAL 80 1HG2 VAL 80 -7.342 2.938 -11.125 572 2HG2 VAL 80 2HG2 VAL 80 -5.578 3.077 -10.937 573 3HG2 VAL 80 3HG2 VAL 80 -6.525 2.207 -9.722 574 H MET 81 H MET 81 -3.761 3.037 -9.132 575 HA MET 81 HA MET 81 -4.424 1.042 -7.046 576 1HB MET 81 1HB MET 81 -3.251 0.440 -9.192 577 2HB MET 81 2HB MET 81 -1.834 1.333 -8.670 578 1HG MET 81 1HG MET 81 -2.658 -0.694 -6.636 579 2HG MET 81 2HG MET 81 -2.310 -1.406 -8.220 580 1HE MET 81 1HE MET 81 -0.096 -2.260 -8.750 581 2HE MET 81 2HE MET 81 1.334 -2.005 -7.705 582 3HE MET 81 3HE MET 81 -0.151 -2.725 -7.020 583 H MET 82 H MET 82 -1.847 3.486 -7.423 584 HA MET 82 HA MET 82 -0.494 2.900 -4.861 585 1HB MET 82 1HB MET 82 -0.228 5.093 -6.951 586 2HB MET 82 2HB MET 82 0.513 5.338 -5.382 587 1HG MET 82 1HG MET 82 1.169 2.639 -6.455 588 2HG MET 82 2HG MET 82 1.603 3.923 -7.590 589 1HE MET 82 1HE MET 82 4.723 2.588 -5.688 590 2HE MET 82 2HE MET 82 3.180 1.792 -6.114 591 3HE MET 82 3HE MET 82 3.577 2.102 -4.398 592 H VAL 83 H VAL 83 -3.046 5.083 -5.903 593 HA VAL 83 HA VAL 83 -3.014 6.975 -3.663 594 HB VAL 83 HB VAL 83 -4.928 6.398 -5.903 595 1HG1 VAL 83 1HG1 VAL 83 -3.937 9.098 -4.794 596 2HG1 VAL 83 2HG1 VAL 83 -3.042 8.159 -5.997 597 3HG1 VAL 83 3HG1 VAL 83 -4.665 8.772 -6.388 598 1HG2 VAL 83 1HG2 VAL 83 -6.757 7.781 -5.066 599 2HG2 VAL 83 2HG2 VAL 83 -6.474 6.530 -3.835 600 3HG2 VAL 83 3HG2 VAL 83 -5.878 8.174 -3.566 601 NH1 ARG 84 NH1 ARG 84 -8.118 -2.081 -5.480 602 NH2 ARG 84 NH2 ARG 84 -8.242 -2.625 -3.278 603 H ARG 84 H ARG 84 -4.537 3.850 -4.233 604 HA ARG 84 HA ARG 84 -6.532 3.787 -2.102 605 1HB ARG 84 1HB ARG 84 -5.093 1.644 -3.716 606 2HB ARG 84 2HB ARG 84 -5.938 1.155 -2.255 607 1HG ARG 84 1HG ARG 84 -8.088 1.959 -3.059 608 2HG ARG 84 2HG ARG 84 -7.357 2.820 -4.415 609 1HD ARG 84 1HD ARG 84 -6.630 0.672 -5.464 610 2HD ARG 84 2HD ARG 84 -8.378 0.688 -5.217 611 HE ARG 84 HE ARG 84 -6.704 -0.637 -3.054 612 1HH1 ARG 84 1HH1 ARG 84 -7.804 -1.411 -6.191 613 2HH1 ARG 84 2HH1 ARG 84 -8.596 -2.974 -5.646 614 1HH2 ARG 84 1HH2 ARG 84 -8.060 -2.352 -2.306 615 2HH2 ARG 84 2HH2 ARG 84 -8.667 -3.502 -3.601 616 H GLN 85 H GLN 85 -3.070 3.040 -2.159 617 HA GLN 85 HA GLN 85 -3.021 1.937 0.641 618 1HB GLN 85 1HB GLN 85 -0.417 1.993 0.125 619 2HB GLN 85 2HB GLN 85 -0.913 2.331 -1.523 620 1HG GLN 85 1HG GLN 85 -1.659 0.186 -1.918 621 2HG GLN 85 2HG GLN 85 -2.364 -0.004 -0.328 622 1HE2 GLN 85 1HE2 GLN 85 0.707 -1.383 1.114 623 2HE2 GLN 85 2HE2 GLN 85 -0.660 -0.226 1.514 624 H MET 86 H MET 86 -2.230 4.916 -1.064 625 HA MET 86 HA MET 86 -0.586 6.254 0.950 626 1HB MET 86 1HB MET 86 -1.340 6.855 -1.654 627 2HB MET 86 2HB MET 86 -0.398 7.870 -0.577 628 1HG MET 86 1HG MET 86 -3.414 8.017 -1.206 629 2HG MET 86 2HG MET 86 -2.768 8.819 0.233 630 1HE MET 86 1HE MET 86 -4.065 9.730 -2.975 631 2HE MET 86 2HE MET 86 -2.790 10.495 -3.969 632 3HE MET 86 3HE MET 86 -2.810 8.720 -3.758 633 H LYS 87 H LYS 87 -4.076 6.168 0.333 634 HA LYS 87 HA LYS 87 -4.768 8.022 2.633 635 1HB LYS 87 1HB LYS 87 -6.423 6.605 0.488 636 2HB LYS 87 2HB LYS 87 -7.199 7.127 1.976 637 1HG LYS 87 1HG LYS 87 -6.069 9.487 1.476 638 2HG LYS 87 2HG LYS 87 -5.901 8.885 -0.165 639 1HD LYS 87 1HD LYS 87 -8.134 9.195 -0.621 640 2HD LYS 87 2HD LYS 87 -8.625 8.403 0.872 641 1HE LYS 87 1HE LYS 87 -7.481 11.093 1.450 642 2HE LYS 87 2HE LYS 87 -8.824 11.199 0.304 643 1HZ LYS 87 1HZ LYS 87 -10.263 10.137 1.836 644 2HZ LYS 87 2HZ LYS 87 -9.425 11.244 2.732 645 3HZ LYS 87 3HZ LYS 87 -9.037 9.641 2.825 646 H GLU 88 H GLU 88 -6.028 7.337 4.398 647 HA GLU 88 HA GLU 88 -6.692 5.922 6.218 648 1HB GLU 88 1HB GLU 88 -6.822 3.972 3.895 649 2HB GLU 88 2HB GLU 88 -6.926 3.344 5.528 650 1HG GLU 88 1HG GLU 88 -8.789 5.562 4.460 651 2HG GLU 88 2HG GLU 88 -9.156 3.851 4.323 652 H ASP 89 H ASP 89 -4.907 3.324 4.691 653 HA ASP 89 HA ASP 89 -2.943 2.102 5.360 654 1HB ASP 89 1HB ASP 89 -2.053 4.314 4.235 655 2HB ASP 89 2HB ASP 89 -0.964 3.202 5.032 656 H ALA 90 H ALA 90 -4.951 2.651 7.324 657 HA ALA 90 HA ALA 90 -5.292 2.130 9.656 658 1HB ALA 90 1HB ALA 90 -3.351 1.264 10.987 659 2HB ALA 90 2HB ALA 90 -3.428 0.471 9.402 660 3HB ALA 90 3HB ALA 90 -2.216 1.741 9.700 Start of MODEL 7 Raw file had 660 H/Q atoms Start of MODEL 7 1 1H ALA 1 1H ALA 1 -19.291 15.470 -19.308 2 2H ALA 1 2H ALA 1 -20.688 14.535 -19.238 3 3H ALA 1 3H ALA 1 -20.713 16.127 -18.696 4 HA ALA 1 HA ALA 1 -18.972 15.490 -17.040 5 1HB ALA 1 1HB ALA 1 -20.973 15.952 -15.962 6 2HB ALA 1 2HB ALA 1 -20.954 14.205 -15.653 7 3HB ALA 1 3HB ALA 1 -21.942 14.863 -16.983 8 H SER 2 H SER 2 -17.472 13.998 -16.823 9 HA SER 2 HA SER 2 -17.704 11.237 -18.036 10 1HB SER 2 1HB SER 2 -15.239 12.136 -16.514 11 2HB SER 2 2HB SER 2 -15.378 11.091 -17.930 12 HG SER 2 HG SER 2 -14.609 13.106 -18.488 13 H MET 3 H MET 3 -18.165 9.480 -16.921 14 HA MET 3 HA MET 3 -18.552 9.602 -13.901 15 1HB MET 3 1HB MET 3 -20.154 8.538 -15.962 16 2HB MET 3 2HB MET 3 -19.434 7.105 -15.251 17 1HG MET 3 1HG MET 3 -20.647 9.172 -13.357 18 2HG MET 3 2HG MET 3 -21.733 8.162 -14.320 19 1HE MET 3 1HE MET 3 -22.579 5.673 -13.072 20 2HE MET 3 2HE MET 3 -22.819 7.300 -12.369 21 3HE MET 3 3HE MET 3 -22.239 5.962 -11.336 22 H THR 4 H THR 4 -15.970 9.649 -14.449 23 HA THR 4 HA THR 4 -14.912 6.803 -14.241 24 HB THR 4 HB THR 4 -12.709 7.649 -14.952 25 HG1 THR 4 HG1 THR 4 -14.150 10.052 -15.076 26 1HG2 THR 4 1HG2 THR 4 -14.605 8.640 -17.125 27 2HG2 THR 4 2HG2 THR 4 -14.580 6.909 -16.718 28 3HG2 THR 4 3HG2 THR 4 -13.095 7.716 -17.287 29 H ASP 5 H ASP 5 -15.194 6.463 -12.084 30 HA ASP 5 HA ASP 5 -14.431 8.443 -9.975 31 1HB ASP 5 1HB ASP 5 -16.394 6.734 -9.833 32 2HB ASP 5 2HB ASP 5 -15.454 7.088 -8.402 33 H GLN 6 H GLN 6 -13.014 5.685 -11.575 34 HA GLN 6 HA GLN 6 -11.089 4.601 -9.818 35 1HB GLN 6 1HB GLN 6 -9.562 4.393 -11.953 36 2HB GLN 6 2HB GLN 6 -10.886 5.156 -12.814 37 1HG GLN 6 1HG GLN 6 -11.048 2.733 -13.074 38 2HG GLN 6 2HG GLN 6 -12.441 3.309 -12.186 39 1HE2 GLN 6 1HE2 GLN 6 -9.720 0.817 -10.279 40 2HE2 GLN 6 2HE2 GLN 6 -9.240 1.768 -11.773 41 H GLN 7 H GLN 7 -9.882 6.884 -12.249 42 HA GLN 7 HA GLN 7 -7.771 7.887 -10.311 43 1HB GLN 7 1HB GLN 7 -6.513 8.621 -12.168 44 2HB GLN 7 2HB GLN 7 -7.244 7.113 -12.708 45 1HG GLN 7 1HG GLN 7 -7.915 9.949 -13.604 46 2HG GLN 7 2HG GLN 7 -7.455 8.569 -14.589 47 1HE2 GLN 7 1HE2 GLN 7 -10.876 7.255 -14.657 48 2HE2 GLN 7 2HE2 GLN 7 -9.101 6.812 -14.801 49 H ALA 8 H ALA 8 -10.719 8.718 -10.303 50 HA ALA 8 HA ALA 8 -10.722 11.631 -11.010 51 1HB ALA 8 1HB ALA 8 -13.049 11.614 -10.124 52 2HB ALA 8 2HB ALA 8 -12.788 10.299 -11.285 53 3HB ALA 8 3HB ALA 8 -12.848 9.945 -9.539 54 H GLU 9 H GLU 9 -10.874 9.673 -8.024 55 HA GLU 9 HA GLU 9 -10.672 12.065 -6.213 56 1HB GLU 9 1HB GLU 9 -10.886 10.519 -4.326 57 2HB GLU 9 2HB GLU 9 -12.144 10.230 -5.520 58 1HG GLU 9 1HG GLU 9 -9.650 8.480 -5.698 59 2HG GLU 9 2HG GLU 9 -11.305 8.112 -6.172 60 H ALA 10 H ALA 10 -8.626 9.462 -7.410 61 HA ALA 10 HA ALA 10 -6.391 9.758 -5.494 62 1HB ALA 10 1HB ALA 10 -5.135 8.279 -7.053 63 2HB ALA 10 2HB ALA 10 -6.756 7.640 -6.721 64 3HB ALA 10 3HB ALA 10 -6.416 8.433 -8.280 65 NH1 ARG 11 NH1 ARG 11 -9.292 14.568 -12.846 66 NH2 ARG 11 NH2 ARG 11 -9.309 12.886 -14.373 67 H ARG 11 H ARG 11 -7.239 11.155 -8.612 68 HA ARG 11 HA ARG 11 -4.603 12.418 -9.244 69 1HB ARG 11 1HB ARG 11 -6.507 11.777 -10.930 70 2HB ARG 11 2HB ARG 11 -7.314 13.245 -10.399 71 1HG ARG 11 1HG ARG 11 -4.984 14.442 -10.959 72 2HG ARG 11 2HG ARG 11 -4.698 13.011 -11.952 73 1HD ARG 11 1HD ARG 11 -6.885 15.128 -12.257 74 2HD ARG 11 2HD ARG 11 -5.738 14.559 -13.472 75 HE ARG 11 HE ARG 11 -7.174 12.251 -13.182 76 1HH1 ARG 11 1HH1 ARG 11 -8.778 15.064 -12.109 77 2HH1 ARG 11 2HH1 ARG 11 -10.245 14.764 -13.169 78 1HH2 ARG 11 1HH2 ARG 11 -8.803 12.109 -14.812 79 2HH2 ARG 11 2HH2 ARG 11 -10.267 13.189 -14.577 80 H ALA 12 H ALA 12 -7.625 13.349 -7.672 81 HA ALA 12 HA ALA 12 -7.055 16.252 -7.373 82 1HB ALA 12 1HB ALA 12 -8.997 16.265 -5.821 83 2HB ALA 12 2HB ALA 12 -9.383 15.409 -7.327 84 3HB ALA 12 3HB ALA 12 -9.062 14.486 -5.838 85 H PHE 13 H PHE 13 -6.428 13.317 -5.526 86 HA PHE 13 HA PHE 13 -5.665 14.471 -2.966 87 1HB PHE 13 1HB PHE 13 -4.664 11.841 -4.198 88 2HB PHE 13 2HB PHE 13 -6.220 12.033 -3.432 89 HD1 PHE 13 HD1 PHE 13 -6.387 11.791 -1.015 90 HD2 PHE 13 HD2 PHE 13 -2.502 12.372 -2.776 91 HE1 PHE 13 HE1 PHE 13 -5.320 11.282 1.144 92 HE2 PHE 13 HE2 PHE 13 -1.455 11.857 -0.611 93 HZ PHE 13 HZ PHE 13 -2.856 11.312 1.350 94 H LEU 14 H LEU 14 -3.680 13.371 -5.733 95 HA LEU 14 HA LEU 14 -1.361 15.175 -4.827 96 1HB LEU 14 1HB LEU 14 -0.074 13.339 -6.395 97 2HB LEU 14 2HB LEU 14 -0.174 13.258 -4.649 98 HG LEU 14 HG LEU 14 -2.326 11.778 -4.998 99 1HD1 LEU 14 1HD1 LEU 14 0.395 10.599 -5.842 100 2HD1 LEU 14 2HD1 LEU 14 -0.059 10.962 -4.167 101 3HD1 LEU 14 3HD1 LEU 14 -0.960 9.727 -5.082 102 1HD2 LEU 14 1HD2 LEU 14 -2.523 10.544 -7.118 103 2HD2 LEU 14 2HD2 LEU 14 -2.540 12.280 -7.514 104 3HD2 LEU 14 3HD2 LEU 14 -1.070 11.332 -7.783 105 H SER 15 H SER 15 -1.092 16.798 -6.130 106 HA SER 15 HA SER 15 -2.574 17.182 -8.642 107 1HB SER 15 1HB SER 15 -0.237 18.979 -7.919 108 2HB SER 15 2HB SER 15 -1.803 19.388 -8.623 109 HG SER 15 HG SER 15 -1.996 19.969 -6.586 110 H GLU 16 H GLU 16 -0.628 18.538 -10.194 111 HA GLU 16 HA GLU 16 0.497 16.283 -11.773 112 1HB GLU 16 1HB GLU 16 -0.510 18.188 -12.922 113 2HB GLU 16 2HB GLU 16 0.625 19.314 -12.203 114 1HG GLU 16 1HG GLU 16 1.386 17.061 -14.175 115 2HG GLU 16 2HG GLU 16 2.523 18.196 -13.469 116 H GLU 17 H GLU 17 1.685 18.742 -9.574 117 HA GLU 17 HA GLU 17 4.542 18.634 -10.152 118 1HB GLU 17 1HB GLU 17 3.095 19.428 -7.584 119 2HB GLU 17 2HB GLU 17 4.846 19.414 -7.678 120 1HG GLU 17 1HG GLU 17 4.338 21.665 -8.168 121 2HG GLU 17 2HG GLU 17 4.567 21.000 -9.776 122 H MET 18 H MET 18 2.490 16.748 -7.952 123 HA MET 18 HA MET 18 4.765 15.117 -6.836 124 1HB MET 18 1HB MET 18 3.226 14.127 -5.332 125 2HB MET 18 2HB MET 18 1.846 14.393 -6.382 126 1HG MET 18 1HG MET 18 1.897 15.879 -4.306 127 2HG MET 18 2HG MET 18 1.722 16.765 -5.830 128 1HE MET 18 1HE MET 18 4.753 15.144 -3.698 129 2HE MET 18 2HE MET 18 5.474 16.660 -3.082 130 3HE MET 18 3HE MET 18 3.805 16.214 -2.618 131 H ILE 19 H ILE 19 2.135 14.838 -9.171 132 HA ILE 19 HA ILE 19 2.101 11.960 -9.608 133 HB ILE 19 HB ILE 19 0.987 14.316 -11.000 134 1HG1 ILE 19 1HG1 ILE 19 -0.048 12.146 -9.593 135 2HG1 ILE 19 2HG1 ILE 19 -0.305 11.596 -11.235 136 1HG2 ILE 19 1HG2 ILE 19 0.597 13.239 -13.231 137 2HG2 ILE 19 2HG2 ILE 19 2.324 13.469 -12.960 138 3HG2 ILE 19 3HG2 ILE 19 1.611 11.851 -12.764 139 1HD1 ILE 19 1HD1 ILE 19 -1.684 13.574 -11.811 140 2HD1 ILE 19 2HD1 ILE 19 -2.306 12.782 -10.349 141 3HD1 ILE 19 3HD1 ILE 19 -1.371 14.290 -10.206 142 H ALA 20 H ALA 20 4.148 14.567 -10.824 143 HA ALA 20 HA ALA 20 5.492 13.298 -13.030 144 1HB ALA 20 1HB ALA 20 7.300 14.978 -12.693 145 2HB ALA 20 2HB ALA 20 5.693 15.718 -12.560 146 3HB ALA 20 3HB ALA 20 6.650 15.400 -11.091 147 H GLU 21 H GLU 21 6.331 13.325 -9.562 148 HA GLU 21 HA GLU 21 8.894 11.934 -9.702 149 1HB GLU 21 1HB GLU 21 7.921 11.249 -7.185 150 2HB GLU 21 2HB GLU 21 6.984 12.688 -7.535 151 1HG GLU 21 1HG GLU 21 9.265 12.952 -6.273 152 2HG GLU 21 2HG GLU 21 10.052 12.644 -7.811 153 H PHE 22 H PHE 22 5.542 10.854 -9.479 154 HA PHE 22 HA PHE 22 6.068 7.973 -9.009 155 1HB PHE 22 1HB PHE 22 3.570 9.546 -9.823 156 2HB PHE 22 2HB PHE 22 3.576 7.806 -9.905 157 HD1 PHE 22 HD1 PHE 22 4.597 10.457 -7.365 158 HD2 PHE 22 HD2 PHE 22 2.788 6.611 -8.043 159 HE1 PHE 22 HE1 PHE 22 4.116 10.249 -4.963 160 HE2 PHE 22 HE2 PHE 22 2.315 6.422 -5.635 161 HZ PHE 22 HZ PHE 22 2.947 8.250 -4.097 162 H LYS 23 H LYS 23 5.751 10.068 -11.809 163 HA LYS 23 HA LYS 23 5.243 8.222 -13.972 164 1HB LYS 23 1HB LYS 23 6.686 10.898 -13.831 165 2HB LYS 23 2HB LYS 23 6.888 9.938 -15.280 166 1HG LYS 23 1HG LYS 23 4.304 11.157 -14.178 167 2HG LYS 23 2HG LYS 23 4.245 9.828 -15.323 168 1HD LYS 23 1HD LYS 23 6.011 12.184 -16.074 169 2HD LYS 23 2HD LYS 23 4.263 12.443 -16.116 170 1HE LYS 23 1HE LYS 23 4.487 9.969 -17.442 171 2HE LYS 23 2HE LYS 23 5.978 10.780 -17.945 172 1HZ LYS 23 1HZ LYS 23 3.196 11.539 -18.480 173 2HZ LYS 23 2HZ LYS 23 4.513 11.593 -19.475 174 3HZ LYS 23 3HZ LYS 23 4.292 12.767 -18.334 175 H ALA 24 H ALA 24 8.356 9.271 -12.565 176 HA ALA 24 HA ALA 24 10.199 7.905 -14.305 177 1HB ALA 24 1HB ALA 24 11.854 8.088 -12.457 178 2HB ALA 24 2HB ALA 24 10.936 9.593 -12.649 179 3HB ALA 24 3HB ALA 24 10.564 8.491 -11.299 180 H ALA 25 H ALA 25 9.044 6.808 -11.093 181 HA ALA 25 HA ALA 25 10.271 4.154 -11.130 182 1HB ALA 25 1HB ALA 25 8.816 3.667 -9.173 183 2HB ALA 25 2HB ALA 25 9.577 5.263 -9.025 184 3HB ALA 25 3HB ALA 25 7.858 5.136 -9.477 185 H PHE 26 H PHE 26 7.301 5.420 -12.463 186 HA PHE 26 HA PHE 26 5.699 2.949 -12.605 187 1HB PHE 26 1HB PHE 26 4.434 4.943 -12.798 188 2HB PHE 26 2HB PHE 26 5.480 5.655 -13.998 189 HD1 PHE 26 HD1 PHE 26 3.122 2.713 -13.520 190 HD2 PHE 26 HD2 PHE 26 4.842 5.490 -16.320 191 HE1 PHE 26 HE1 PHE 26 1.585 1.917 -15.270 192 HE2 PHE 26 HE2 PHE 26 3.295 4.683 -18.057 193 HZ PHE 26 HZ PHE 26 1.692 2.873 -17.547 194 H ASP 27 H ASP 27 8.056 4.524 -14.714 195 HA ASP 27 HA ASP 27 7.847 2.627 -17.002 196 1HB ASP 27 1HB ASP 27 10.165 3.595 -17.641 197 2HB ASP 27 2HB ASP 27 10.013 4.665 -16.266 198 H MET 28 H MET 28 9.820 2.946 -14.080 199 HA MET 28 HA MET 28 11.769 0.872 -14.365 200 1HB MET 28 1HB MET 28 11.214 2.469 -12.270 201 2HB MET 28 2HB MET 28 10.334 1.065 -11.694 202 1HG MET 28 1HG MET 28 12.583 -0.286 -12.132 203 2HG MET 28 2HG MET 28 13.345 1.312 -12.194 204 1HE MET 28 1HE MET 28 13.830 2.845 -10.189 205 2HE MET 28 2HE MET 28 14.074 2.018 -8.621 206 3HE MET 28 3HE MET 28 14.833 1.362 -10.102 207 H PHE 29 H PHE 29 8.353 0.622 -13.410 208 HA PHE 29 HA PHE 29 8.390 -2.316 -12.927 209 1HB PHE 29 1HB PHE 29 5.909 -0.546 -13.349 210 2HB PHE 29 2HB PHE 29 5.937 -2.149 -12.664 211 HD1 PHE 29 HD1 PHE 29 8.743 -1.340 -11.089 212 HD2 PHE 29 HD2 PHE 29 4.751 0.264 -11.257 213 HE1 PHE 29 HE1 PHE 29 9.000 -0.429 -8.817 214 HE2 PHE 29 HE2 PHE 29 5.028 1.159 -8.982 215 HZ PHE 29 HZ PHE 29 7.143 0.809 -7.757 216 H ASP 30 H ASP 30 7.513 -0.129 -15.562 217 HA ASP 30 HA ASP 30 6.084 -1.815 -17.371 218 1HB ASP 30 1HB ASP 30 8.164 0.117 -18.490 219 2HB ASP 30 2HB ASP 30 6.787 0.732 -17.606 220 H ALA 31 H ALA 31 9.624 -1.317 -17.235 221 HA ALA 31 HA ALA 31 11.412 -2.930 -17.484 222 1HB ALA 31 1HB ALA 31 10.947 -5.288 -18.125 223 2HB ALA 31 2HB ALA 31 9.912 -4.761 -16.784 224 3HB ALA 31 3HB ALA 31 9.235 -4.907 -18.427 225 H ASP 32 H ASP 32 8.939 -2.715 -20.038 226 HA ASP 32 HA ASP 32 11.067 -2.687 -22.215 227 1HB ASP 32 1HB ASP 32 8.735 -2.565 -23.650 228 2HB ASP 32 2HB ASP 32 9.580 -4.036 -23.225 229 H GLY 33 H GLY 33 7.942 -0.984 -21.956 230 1HA GLY 33 1HA GLY 33 8.116 1.650 -21.535 231 2HA GLY 33 2HA GLY 33 9.341 1.602 -22.782 232 H GLY 34 H GLY 34 6.288 -0.224 -22.648 233 1HA GLY 34 1HA GLY 34 5.323 0.683 -25.332 234 2HA GLY 34 2HA GLY 34 4.427 -0.341 -24.202 235 H GLY 35 H GLY 35 3.642 0.766 -22.189 236 1HA GLY 35 1HA GLY 35 3.379 3.586 -21.725 237 2HA GLY 35 2HA GLY 35 2.042 3.206 -22.819 238 H ASP 36 H ASP 36 1.708 0.482 -21.849 239 HA ASP 36 HA ASP 36 0.574 0.941 -19.037 240 1HB ASP 36 1HB ASP 36 -0.870 -1.192 -20.433 241 2HB ASP 36 2HB ASP 36 -1.474 0.218 -19.594 242 H ILE 37 H ILE 37 0.531 -0.914 -17.686 243 HA ILE 37 HA ILE 37 2.989 -2.656 -18.077 244 HB ILE 37 HB ILE 37 1.555 -2.792 -15.459 245 1HG1 ILE 37 1HG1 ILE 37 2.829 -0.184 -16.395 246 2HG1 ILE 37 2HG1 ILE 37 1.370 -0.440 -15.457 247 1HG2 ILE 37 1HG2 ILE 37 3.832 -3.038 -14.551 248 2HG2 ILE 37 2HG2 ILE 37 3.619 -4.124 -15.932 249 3HG2 ILE 37 3HG2 ILE 37 4.555 -2.622 -16.124 250 1HD1 ILE 37 1HD1 ILE 37 4.227 -0.754 -14.354 251 2HD1 ILE 37 2HD1 ILE 37 3.061 0.539 -13.997 252 3HD1 ILE 37 3HD1 ILE 37 2.739 -1.119 -13.439 253 H SER 38 H SER 38 2.837 -4.895 -17.141 254 HA SER 38 HA SER 38 0.145 -6.251 -17.662 255 1HB SER 38 1HB SER 38 0.892 -7.647 -19.350 256 2HB SER 38 2HB SER 38 1.793 -6.177 -19.730 257 HG SER 38 HG SER 38 2.649 -8.606 -18.716 258 H THR 39 H THR 39 0.892 -8.825 -17.405 259 HA THR 39 HA THR 39 1.531 -9.085 -14.475 260 HB THR 39 HB THR 39 1.190 -11.701 -15.463 261 HG1 THR 39 HG1 THR 39 0.372 -11.194 -17.337 262 1HG2 THR 39 1HG2 THR 39 -0.976 -11.697 -14.307 263 2HG2 THR 39 2HG2 THR 39 0.196 -10.791 -13.322 264 3HG2 THR 39 3HG2 THR 39 -1.029 -9.919 -14.281 265 H LYS 40 H LYS 40 2.755 -10.397 -17.575 266 HA LYS 40 HA LYS 40 5.065 -11.807 -16.566 267 1HB LYS 40 1HB LYS 40 4.584 -10.518 -19.300 268 2HB LYS 40 2HB LYS 40 4.199 -12.162 -18.861 269 1HG LYS 40 1HG LYS 40 6.913 -12.191 -18.391 270 2HG LYS 40 2HG LYS 40 6.873 -10.812 -19.458 271 1HD LYS 40 1HD LYS 40 7.066 -13.550 -20.235 272 2HD LYS 40 2HD LYS 40 5.409 -13.134 -20.564 273 1HE LYS 40 1HE LYS 40 6.290 -11.038 -21.853 274 2HE LYS 40 2HE LYS 40 7.858 -11.834 -21.856 275 1HZ LYS 40 1HZ LYS 40 6.236 -12.225 -23.797 276 2HZ LYS 40 2HZ LYS 40 5.440 -13.276 -22.802 277 3HZ LYS 40 3HZ LYS 40 7.021 -13.550 -23.198 278 H GLU 41 H GLU 41 4.520 -8.422 -17.399 279 HA GLU 41 HA GLU 41 7.359 -7.538 -17.371 280 1HB GLU 41 1HB GLU 41 6.350 -5.188 -17.294 281 2HB GLU 41 2HB GLU 41 4.766 -5.932 -17.326 282 1HG GLU 41 1HG GLU 41 6.892 -6.199 -19.546 283 2HG GLU 41 2HG GLU 41 5.341 -7.010 -19.557 284 H LEU 42 H LEU 42 4.604 -6.808 -15.201 285 HA LEU 42 HA LEU 42 6.023 -5.407 -13.116 286 1HB LEU 42 1HB LEU 42 3.598 -5.349 -13.144 287 2HB LEU 42 2HB LEU 42 3.463 -7.089 -13.015 288 HG LEU 42 HG LEU 42 4.714 -6.711 -10.646 289 1HD1 LEU 42 1HD1 LEU 42 1.718 -6.059 -10.968 290 2HD1 LEU 42 2HD1 LEU 42 2.385 -7.696 -11.074 291 3HD1 LEU 42 3HD1 LEU 42 2.519 -6.784 -9.550 292 1HD2 LEU 42 1HD2 LEU 42 4.105 -4.598 -9.522 293 2HD2 LEU 42 2HD2 LEU 42 4.997 -4.194 -11.009 294 3HD2 LEU 42 3HD2 LEU 42 3.233 -4.020 -10.966 295 H GLY 43 H GLY 43 5.565 -8.849 -13.712 296 1HA GLY 43 1HA GLY 43 6.246 -10.100 -11.228 297 2HA GLY 43 2HA GLY 43 6.629 -10.814 -12.799 298 H THR 44 H THR 44 8.440 -9.097 -13.866 299 HA THR 44 HA THR 44 10.931 -10.094 -12.887 300 HB THR 44 HB THR 44 10.177 -8.013 -14.863 301 HG1 THR 44 HG1 THR 44 11.979 -9.128 -15.882 302 1HG2 THR 44 1HG2 THR 44 12.492 -7.116 -15.170 303 2HG2 THR 44 2HG2 THR 44 11.794 -6.579 -13.627 304 3HG2 THR 44 3HG2 THR 44 13.006 -7.885 -13.648 305 H VAL 45 H VAL 45 9.584 -6.819 -12.400 306 HA VAL 45 HA VAL 45 11.709 -5.715 -10.765 307 HB VAL 45 HB VAL 45 8.930 -4.900 -11.416 308 1HG1 VAL 45 1HG1 VAL 45 8.702 -3.196 -9.607 309 2HG1 VAL 45 2HG1 VAL 45 8.681 -4.826 -8.922 310 3HG1 VAL 45 3HG1 VAL 45 10.151 -3.834 -8.786 311 1HG2 VAL 45 1HG2 VAL 45 11.510 -3.249 -10.998 312 2HG2 VAL 45 2HG2 VAL 45 10.901 -3.851 -12.558 313 3HG2 VAL 45 3HG2 VAL 45 9.972 -2.639 -11.663 314 H MET 46 H MET 46 8.744 -7.492 -9.906 315 HA MET 46 HA MET 46 8.756 -7.251 -7.039 316 1HB MET 46 1HB MET 46 7.658 -9.656 -7.095 317 2HB MET 46 2HB MET 46 7.738 -9.497 -8.840 318 1HG MET 46 1HG MET 46 6.368 -7.342 -7.123 319 2HG MET 46 2HG MET 46 6.223 -7.598 -8.870 320 1HE MET 46 1HE MET 46 4.470 -8.004 -5.607 321 2HE MET 46 2HE MET 46 3.844 -9.677 -5.536 322 3HE MET 46 3HE MET 46 5.585 -9.367 -5.279 323 NH1 ARG 47 NH1 ARG 47 7.364 -13.901 -5.631 324 NH2 ARG 47 NH2 ARG 47 6.817 -15.551 -7.096 325 H ARG 47 H ARG 47 10.042 -10.003 -8.934 326 HA ARG 47 HA ARG 47 11.855 -10.897 -6.688 327 1HB ARG 47 1HB ARG 47 12.531 -12.646 -8.584 328 2HB ARG 47 2HB ARG 47 11.098 -12.042 -9.405 329 1HG ARG 47 1HG ARG 47 10.818 -14.144 -7.883 330 2HG ARG 47 2HG ARG 47 10.960 -13.048 -6.508 331 1HD ARG 47 1HD ARG 47 8.832 -12.132 -6.813 332 2HD ARG 47 2HD ARG 47 8.983 -12.114 -8.564 333 HE ARG 47 HE ARG 47 8.297 -14.511 -8.671 334 1HH1 ARG 47 1HH1 ARG 47 7.907 -13.050 -5.450 335 2HH1 ARG 47 2HH1 ARG 47 6.724 -14.372 -4.981 336 1HH2 ARG 47 1HH2 ARG 47 6.941 -15.960 -8.029 337 2HH2 ARG 47 2HH2 ARG 47 6.216 -15.906 -6.344 338 H MET 48 H MET 48 12.466 -8.330 -7.631 339 HA MET 48 HA MET 48 14.719 -8.189 -9.537 340 1HB MET 48 1HB MET 48 13.630 -6.334 -7.421 341 2HB MET 48 2HB MET 48 15.329 -6.144 -7.812 342 1HG MET 48 1HG MET 48 14.041 -6.295 -10.372 343 2HG MET 48 2HG MET 48 12.977 -5.296 -9.368 344 1HE MET 48 1HE MET 48 14.537 -3.615 -7.348 345 2HE MET 48 2HE MET 48 15.107 -2.231 -8.326 346 3HE MET 48 3HE MET 48 13.459 -2.878 -8.573 347 H LEU 49 H LEU 49 14.356 -9.085 -6.159 348 HA LEU 49 HA LEU 49 16.988 -8.901 -5.077 349 1HB LEU 49 1HB LEU 49 16.430 -10.833 -3.591 350 2HB LEU 49 2HB LEU 49 15.058 -11.249 -4.596 351 HG LEU 49 HG LEU 49 15.227 -9.324 -2.387 352 1HD1 LEU 49 1HD1 LEU 49 12.769 -10.285 -3.979 353 2HD1 LEU 49 2HD1 LEU 49 13.540 -11.212 -2.679 354 3HD1 LEU 49 3HD1 LEU 49 12.786 -9.639 -2.319 355 1HD2 LEU 49 1HD2 LEU 49 13.963 -7.416 -3.280 356 2HD2 LEU 49 2HD2 LEU 49 15.409 -7.609 -4.300 357 3HD2 LEU 49 3HD2 LEU 49 13.838 -8.170 -4.889 358 H GLY 50 H GLY 50 15.595 -11.792 -6.670 359 1HA GLY 50 1HA GLY 50 17.427 -12.373 -8.702 360 2HA GLY 50 2HA GLY 50 18.333 -12.928 -7.289 361 H GLN 51 H GLN 51 15.249 -13.311 -8.988 362 HA GLN 51 HA GLN 51 15.314 -16.312 -8.489 363 1HB GLN 51 1HB GLN 51 13.197 -14.469 -7.398 364 2HB GLN 51 2HB GLN 51 12.607 -15.903 -8.216 365 1HG GLN 51 1HG GLN 51 14.545 -15.869 -5.825 366 2HG GLN 51 2HG GLN 51 12.840 -16.256 -5.760 367 1HE2 GLN 51 1HE2 GLN 51 15.242 -19.349 -6.156 368 2HE2 GLN 51 2HE2 GLN 51 15.446 -17.786 -5.217 369 H ASN 52 H ASN 52 13.004 -16.990 -9.724 370 HA ASN 52 HA ASN 52 12.593 -15.444 -12.251 371 1HB ASN 52 1HB ASN 52 13.481 -18.344 -12.632 372 2HB ASN 52 2HB ASN 52 14.678 -17.074 -12.501 373 1HD2 ASN 52 1HD2 ASN 52 13.822 -17.612 -16.154 374 2HD2 ASN 52 2HD2 ASN 52 14.414 -18.659 -14.768 375 HA PRO 53 HA PRO 53 8.724 -17.827 -10.893 376 1HB PRO 53 1HB PRO 53 6.852 -15.843 -11.285 377 2HB PRO 53 2HB PRO 53 7.925 -15.927 -9.881 378 1HG PRO 53 1HG PRO 53 8.217 -14.173 -12.360 379 2HG PRO 53 2HG PRO 53 8.466 -13.719 -10.658 380 1HD PRO 53 1HD PRO 53 10.699 -14.569 -10.681 381 2HD PRO 53 2HD PRO 53 10.535 -14.459 -12.459 382 H THR 54 H THR 54 6.487 -17.933 -12.172 383 HA THR 54 HA THR 54 7.067 -18.271 -15.161 384 HB THR 54 HB THR 54 6.625 -20.366 -13.585 385 HG1 THR 54 HG1 THR 54 5.228 -20.219 -16.020 386 1HG2 THR 54 1HG2 THR 54 4.294 -21.191 -13.649 387 2HG2 THR 54 2HG2 THR 54 4.371 -19.680 -12.713 388 3HG2 THR 54 3HG2 THR 54 3.728 -19.668 -14.375 389 H LYS 55 H LYS 55 5.086 -18.172 -16.510 390 HA LYS 55 HA LYS 55 3.812 -15.526 -16.118 391 1HB LYS 55 1HB LYS 55 4.373 -16.059 -18.384 392 2HB LYS 55 2HB LYS 55 3.662 -17.657 -18.310 393 1HG LYS 55 1HG LYS 55 1.917 -15.156 -18.117 394 2HG LYS 55 2HG LYS 55 2.456 -15.758 -19.674 395 1HD LYS 55 1HD LYS 55 0.271 -16.758 -17.914 396 2HD LYS 55 2HD LYS 55 0.524 -16.990 -19.637 397 1HE LYS 55 1HE LYS 55 2.059 -18.611 -17.528 398 2HE LYS 55 2HE LYS 55 0.512 -19.139 -18.186 399 1HZ LYS 55 1HZ LYS 55 1.473 -19.573 -20.232 400 2HZ LYS 55 2HZ LYS 55 2.767 -19.887 -19.255 401 3HZ LYS 55 3HZ LYS 55 2.679 -18.455 -20.074 402 H GLU 56 H GLU 56 2.850 -18.905 -15.836 403 HA GLU 56 HA GLU 56 -0.051 -18.585 -15.698 404 1HB GLU 56 1HB GLU 56 0.856 -20.752 -16.206 405 2HB GLU 56 2HB GLU 56 1.795 -20.819 -14.727 406 1HG GLU 56 1HG GLU 56 0.089 -21.922 -13.701 407 2HG GLU 56 2HG GLU 56 -0.947 -20.516 -13.876 408 H GLU 57 H GLU 57 2.339 -19.154 -13.091 409 HA GLU 57 HA GLU 57 0.541 -18.844 -10.828 410 1HB GLU 57 1HB GLU 57 3.509 -18.932 -11.140 411 2HB GLU 57 2HB GLU 57 2.434 -19.879 -10.135 412 1HG GLU 57 1HG GLU 57 4.185 -17.841 -9.260 413 2HG GLU 57 2HG GLU 57 2.632 -17.016 -9.230 414 H LEU 58 H LEU 58 2.395 -16.522 -12.721 415 HA LEU 58 HA LEU 58 2.224 -14.215 -10.950 416 1HB LEU 58 1HB LEU 58 3.369 -14.830 -13.503 417 2HB LEU 58 2HB LEU 58 2.327 -13.450 -13.784 418 HG LEU 58 HG LEU 58 4.424 -13.508 -11.525 419 1HD1 LEU 58 1HD1 LEU 58 3.187 -11.060 -12.949 420 2HD1 LEU 58 2HD1 LEU 58 2.585 -11.695 -11.411 421 3HD1 LEU 58 3HD1 LEU 58 4.243 -11.052 -11.513 422 1HD2 LEU 58 1HD2 LEU 58 6.022 -12.388 -13.034 423 2HD2 LEU 58 2HD2 LEU 58 5.502 -13.913 -13.794 424 3HD2 LEU 58 3HD2 LEU 58 4.834 -12.371 -14.361 425 H ASP 59 H ASP 59 0.201 -15.373 -13.630 426 HA ASP 59 HA ASP 59 -1.745 -13.294 -13.955 427 1HB ASP 59 1HB ASP 59 -2.153 -16.329 -14.125 428 2HB ASP 59 2HB ASP 59 -1.780 -15.228 -15.431 429 H ALA 60 H ALA 60 -1.390 -15.706 -11.407 430 HA ALA 60 HA ALA 60 -3.901 -15.240 -9.963 431 1HB ALA 60 1HB ALA 60 -2.808 -16.441 -8.075 432 2HB ALA 60 2HB ALA 60 -2.556 -17.287 -9.614 433 3HB ALA 60 3HB ALA 60 -1.228 -16.346 -8.888 434 H ILE 61 H ILE 61 -0.579 -14.023 -9.470 435 HA ILE 61 HA ILE 61 -0.798 -12.351 -7.204 436 HB ILE 61 HB ILE 61 0.876 -11.948 -9.711 437 1HG1 ILE 61 1HG1 ILE 61 1.643 -12.786 -6.835 438 2HG1 ILE 61 2HG1 ILE 61 2.697 -12.757 -8.241 439 1HG2 ILE 61 1HG2 ILE 61 2.248 -10.251 -8.470 440 2HG2 ILE 61 2HG2 ILE 61 0.611 -9.658 -8.746 441 3HG2 ILE 61 3HG2 ILE 61 1.070 -10.256 -7.134 442 1HD1 ILE 61 1HD1 ILE 61 1.518 -14.642 -9.312 443 2HD1 ILE 61 2HD1 ILE 61 2.007 -15.077 -7.660 444 3HD1 ILE 61 3HD1 ILE 61 0.310 -14.663 -7.998 445 H ILE 62 H ILE 62 -1.567 -11.492 -10.592 446 HA ILE 62 HA ILE 62 -2.501 -8.740 -10.010 447 HB ILE 62 HB ILE 62 -2.539 -10.498 -12.478 448 1HG1 ILE 62 1HG1 ILE 62 -0.458 -9.310 -12.204 449 2HG1 ILE 62 2HG1 ILE 62 -1.244 -7.833 -11.686 450 1HG2 ILE 62 1HG2 ILE 62 -3.766 -8.749 -13.798 451 2HG2 ILE 62 2HG2 ILE 62 -4.807 -9.405 -12.537 452 3HG2 ILE 62 3HG2 ILE 62 -4.060 -7.807 -12.315 453 1HD1 ILE 62 1HD1 ILE 62 -2.073 -7.330 -13.968 454 2HD1 ILE 62 2HD1 ILE 62 -0.320 -7.614 -13.986 455 3HD1 ILE 62 3HD1 ILE 62 -1.424 -8.880 -14.571 456 H GLU 63 H GLU 63 -3.962 -11.938 -10.330 457 HA GLU 63 HA GLU 63 -6.753 -11.445 -10.386 458 1HB GLU 63 1HB GLU 63 -5.727 -13.571 -8.472 459 2HB GLU 63 2HB GLU 63 -5.370 -13.715 -10.182 460 1HG GLU 63 1HG GLU 63 -7.347 -14.974 -10.011 461 2HG GLU 63 2HG GLU 63 -8.021 -13.977 -8.734 462 H GLU 64 H GLU 64 -4.607 -11.452 -7.536 463 HA GLU 64 HA GLU 64 -6.469 -10.922 -5.398 464 1HB GLU 64 1HB GLU 64 -3.828 -9.485 -5.265 465 2HB GLU 64 2HB GLU 64 -3.748 -11.218 -5.517 466 1HG GLU 64 1HG GLU 64 -4.317 -11.680 -3.336 467 2HG GLU 64 2HG GLU 64 -5.650 -10.538 -3.330 468 H VAL 65 H VAL 65 -4.430 -8.463 -7.019 469 HA VAL 65 HA VAL 65 -6.342 -6.226 -6.452 470 HB VAL 65 HB VAL 65 -3.719 -6.095 -6.630 471 1HG1 VAL 65 1HG1 VAL 65 -2.844 -5.296 -8.832 472 2HG1 VAL 65 2HG1 VAL 65 -3.465 -6.952 -8.964 473 3HG1 VAL 65 3HG1 VAL 65 -4.423 -5.593 -9.601 474 1HG2 VAL 65 1HG2 VAL 65 -5.481 -3.840 -7.816 475 2HG2 VAL 65 2HG2 VAL 65 -5.128 -4.103 -6.091 476 3HG2 VAL 65 3HG2 VAL 65 -3.822 -3.651 -7.196 477 H ASP 66 H ASP 66 -5.953 -4.955 -9.070 478 HA ASP 66 HA ASP 66 -7.151 -4.700 -11.131 479 1HB ASP 66 1HB ASP 66 -5.865 -7.313 -11.259 480 2HB ASP 66 2HB ASP 66 -7.426 -7.428 -12.037 481 H GLU 67 H GLU 67 -8.886 -4.123 -9.668 482 HA GLU 67 HA GLU 67 -11.127 -6.071 -9.165 483 1HB GLU 67 1HB GLU 67 -11.677 -3.190 -8.648 484 2HB GLU 67 2HB GLU 67 -10.237 -3.777 -7.837 485 1HG GLU 67 1HG GLU 67 -11.679 -5.704 -6.864 486 2HG GLU 67 2HG GLU 67 -12.015 -4.089 -6.263 487 H ASP 68 H ASP 68 -10.129 -3.906 -11.649 488 HA ASP 68 HA ASP 68 -12.845 -3.242 -12.720 489 1HB ASP 68 1HB ASP 68 -11.866 -1.759 -14.142 490 2HB ASP 68 2HB ASP 68 -10.559 -1.875 -12.986 491 H GLY 69 H GLY 69 -10.157 -5.411 -13.642 492 1HA GLY 69 1HA GLY 69 -12.094 -6.985 -15.447 493 2HA GLY 69 2HA GLY 69 -10.975 -7.803 -14.362 494 H SER 70 H SER 70 -10.246 -4.929 -16.282 495 HA SER 70 HA SER 70 -9.332 -5.753 -18.757 496 1HB SER 70 1HB SER 70 -9.261 -3.397 -17.849 497 2HB SER 70 2HB SER 70 -7.885 -3.836 -18.867 498 HG SER 70 HG SER 70 -7.661 -4.317 -16.128 499 H GLY 71 H GLY 71 -7.549 -6.166 -15.708 500 1HA GLY 71 1HA GLY 71 -5.923 -8.435 -16.920 501 2HA GLY 71 2HA GLY 71 -6.086 -8.097 -15.193 502 H THR 72 H THR 72 -5.377 -5.535 -17.461 503 HA THR 72 HA THR 72 -2.417 -5.495 -16.794 504 HB THR 72 HB THR 72 -2.424 -3.419 -18.360 505 HG1 THR 72 HG1 THR 72 -4.089 -3.215 -19.686 506 1HG2 THR 72 1HG2 THR 72 -2.264 -4.742 -20.430 507 2HG2 THR 72 2HG2 THR 72 -1.455 -5.628 -19.119 508 3HG2 THR 72 3HG2 THR 72 -3.068 -6.139 -19.681 509 H ILE 73 H ILE 73 -1.595 -3.154 -16.389 510 HA ILE 73 HA ILE 73 -3.380 -1.578 -14.488 511 HB ILE 73 HB ILE 73 -0.663 -2.726 -13.673 512 1HG1 ILE 73 1HG1 ILE 73 -3.538 -3.268 -12.777 513 2HG1 ILE 73 2HG1 ILE 73 -2.257 -3.385 -11.590 514 1HG2 ILE 73 1HG2 ILE 73 -0.808 -1.403 -11.567 515 2HG2 ILE 73 2HG2 ILE 73 -0.833 -0.307 -12.956 516 3HG2 ILE 73 3HG2 ILE 73 -2.342 -0.663 -12.081 517 1HD1 ILE 73 1HD1 ILE 73 -1.074 -5.151 -12.868 518 2HD1 ILE 73 2HD1 ILE 73 -2.768 -5.604 -12.581 519 3HD1 ILE 73 3HD1 ILE 73 -2.268 -5.027 -14.189 520 H ASP 74 H ASP 74 -3.479 0.068 -15.906 521 HA ASP 74 HA ASP 74 -1.129 1.140 -17.423 522 1HB ASP 74 1HB ASP 74 -2.664 2.065 -18.760 523 2HB ASP 74 2HB ASP 74 -3.255 3.077 -17.464 524 H PHE 75 H PHE 75 -1.288 3.816 -17.227 525 HA PHE 75 HA PHE 75 0.106 4.451 -14.700 526 1HB PHE 75 1HB PHE 75 -0.892 6.353 -16.908 527 2HB PHE 75 2HB PHE 75 0.650 5.542 -16.903 528 HD1 PHE 75 HD1 PHE 75 1.554 7.949 -17.147 529 HD2 PHE 75 HD2 PHE 75 -0.350 6.580 -13.538 530 HE1 PHE 75 HE1 PHE 75 2.410 9.914 -15.938 531 HE2 PHE 75 HE2 PHE 75 0.512 8.557 -12.348 532 HZ PHE 75 HZ PHE 75 1.870 10.234 -13.547 533 H GLU 76 H GLU 76 -3.064 5.270 -16.100 534 HA GLU 76 HA GLU 76 -4.057 7.072 -14.062 535 1HB GLU 76 1HB GLU 76 -5.385 5.428 -16.205 536 2HB GLU 76 2HB GLU 76 -6.403 6.012 -14.907 537 1HG GLU 76 1HG GLU 76 -5.971 8.344 -15.455 538 2HG GLU 76 2HG GLU 76 -4.591 7.938 -16.453 539 H GLU 77 H GLU 77 -4.448 3.548 -14.414 540 HA GLU 77 HA GLU 77 -5.994 3.161 -11.908 541 1HB GLU 77 1HB GLU 77 -6.415 1.543 -13.569 542 2HB GLU 77 2HB GLU 77 -4.721 1.252 -13.891 543 1HG GLU 77 1HG GLU 77 -6.071 0.455 -11.236 544 2HG GLU 77 2HG GLU 77 -4.448 0.012 -11.752 545 H PHE 78 H PHE 78 -2.606 3.120 -12.801 546 HA PHE 78 HA PHE 78 -1.436 1.766 -10.529 547 1HB PHE 78 1HB PHE 78 -0.295 4.021 -12.285 548 2HB PHE 78 2HB PHE 78 -0.088 2.305 -12.527 549 HD1 PHE 78 HD1 PHE 78 0.664 1.372 -9.727 550 HD2 PHE 78 HD2 PHE 78 1.823 4.940 -11.833 551 HE1 PHE 78 HE1 PHE 78 2.687 1.551 -8.335 552 HE2 PHE 78 HE2 PHE 78 3.846 5.095 -10.441 553 HZ PHE 78 HZ PHE 78 4.281 3.406 -8.691 554 H LEU 79 H LEU 79 -2.387 5.147 -11.010 555 HA LEU 79 HA LEU 79 -1.324 6.200 -8.461 556 1HB LEU 79 1HB LEU 79 -2.611 8.256 -8.961 557 2HB LEU 79 2HB LEU 79 -3.539 7.437 -10.199 558 HG LEU 79 HG LEU 79 -1.182 7.028 -11.382 559 1HD1 LEU 79 1HD1 LEU 79 -1.435 9.184 -12.616 560 2HD1 LEU 79 2HD1 LEU 79 -3.019 8.440 -12.327 561 3HD1 LEU 79 3HD1 LEU 79 -2.496 9.824 -11.335 562 1HD2 LEU 79 1HD2 LEU 79 -0.487 9.447 -9.583 563 2HD2 LEU 79 2HD2 LEU 79 0.299 7.850 -9.544 564 3HD2 LEU 79 3HD2 LEU 79 0.472 8.879 -10.973 565 H VAL 80 H VAL 80 -4.343 4.721 -9.470 566 HA VAL 80 HA VAL 80 -5.977 5.463 -7.129 567 HB VAL 80 HB VAL 80 -6.435 3.069 -8.982 568 1HG1 VAL 80 1HG1 VAL 80 -8.842 3.308 -8.333 569 2HG1 VAL 80 2HG1 VAL 80 -7.841 2.962 -6.916 570 3HG1 VAL 80 3HG1 VAL 80 -8.425 4.618 -7.198 571 1HG2 VAL 80 1HG2 VAL 80 -7.545 5.933 -9.319 572 2HG2 VAL 80 2HG2 VAL 80 -6.320 5.178 -10.365 573 3HG2 VAL 80 3HG2 VAL 80 -7.961 4.516 -10.314 574 H MET 81 H MET 81 -3.900 2.715 -7.979 575 HA MET 81 HA MET 81 -4.474 0.939 -5.702 576 1HB MET 81 1HB MET 81 -3.248 0.259 -7.849 577 2HB MET 81 2HB MET 81 -1.832 1.107 -7.253 578 1HG MET 81 1HG MET 81 -2.057 -0.456 -5.102 579 2HG MET 81 2HG MET 81 -3.095 -1.448 -6.141 580 1HE MET 81 1HE MET 81 -0.973 -3.151 -5.269 581 2HE MET 81 2HE MET 81 0.660 -3.058 -5.994 582 3HE MET 81 3HE MET 81 0.155 -1.846 -4.781 583 H MET 82 H MET 82 -1.988 3.429 -6.296 584 HA MET 82 HA MET 82 -0.623 3.095 -3.681 585 1HB MET 82 1HB MET 82 -0.363 5.069 -5.984 586 2HB MET 82 2HB MET 82 0.403 5.444 -4.452 587 1HG MET 82 1HG MET 82 0.899 2.714 -5.773 588 2HG MET 82 2HG MET 82 1.754 4.155 -6.339 589 1HE MET 82 1HE MET 82 4.396 2.596 -5.118 590 2HE MET 82 2HE MET 82 2.934 1.616 -5.435 591 3HE MET 82 3HE MET 82 3.725 1.541 -3.834 592 H VAL 83 H VAL 83 -3.260 5.043 -4.911 593 HA VAL 83 HA VAL 83 -3.203 7.251 -2.969 594 HB VAL 83 HB VAL 83 -5.048 6.377 -5.125 595 1HG1 VAL 83 1HG1 VAL 83 -4.409 9.219 -4.120 596 2HG1 VAL 83 2HG1 VAL 83 -3.370 8.334 -5.245 597 3HG1 VAL 83 3HG1 VAL 83 -5.035 8.740 -5.718 598 1HG2 VAL 83 1HG2 VAL 83 -7.052 7.580 -4.417 599 2HG2 VAL 83 2HG2 VAL 83 -6.677 6.426 -3.116 600 3HG2 VAL 83 3HG2 VAL 83 -6.280 8.138 -2.911 601 NH1 ARG 84 NH1 ARG 84 -11.169 0.439 -3.389 602 NH2 ARG 84 NH2 ARG 84 -9.946 -1.474 -3.308 603 H ARG 84 H ARG 84 -5.319 4.369 -3.252 604 HA ARG 84 HA ARG 84 -6.904 4.652 -0.847 605 1HB ARG 84 1HB ARG 84 -6.170 2.331 -2.636 606 2HB ARG 84 2HB ARG 84 -6.685 1.914 -1.008 607 1HG ARG 84 1HG ARG 84 -8.873 2.653 -1.296 608 2HG ARG 84 2HG ARG 84 -8.441 3.921 -2.445 609 1HD ARG 84 1HD ARG 84 -7.821 1.945 -4.101 610 2HD ARG 84 2HD ARG 84 -9.521 2.361 -3.872 611 HE ARG 84 HE ARG 84 -8.238 0.073 -2.285 612 1HH1 ARG 84 1HH1 ARG 84 -9.028 -1.911 -3.171 613 2HH1 ARG 84 2HH1 ARG 84 -10.832 -1.953 -3.504 614 1HH2 ARG 84 1HH2 ARG 84 -11.174 1.465 -3.372 615 2HH2 ARG 84 2HH2 ARG 84 -11.978 -0.178 -3.521 616 H GLN 85 H GLN 85 -3.831 2.889 -1.354 617 HA GLN 85 HA GLN 85 -3.504 1.850 1.366 618 1HB GLN 85 1HB GLN 85 -2.236 1.282 -0.934 619 2HB GLN 85 2HB GLN 85 -1.559 0.929 0.645 620 1HG GLN 85 1HG GLN 85 -0.250 2.296 -1.382 621 2HG GLN 85 2HG GLN 85 -0.850 3.651 -0.452 622 1HE2 GLN 85 1HE2 GLN 85 2.387 3.069 1.174 623 2HE2 GLN 85 2HE2 GLN 85 1.665 3.773 -0.359 624 H MET 86 H MET 86 -2.606 4.864 -0.228 625 HA MET 86 HA MET 86 -0.764 5.983 1.729 626 1HB MET 86 1HB MET 86 -2.154 6.975 -0.667 627 2HB MET 86 2HB MET 86 -2.187 8.192 0.595 628 1HG MET 86 1HG MET 86 0.510 7.348 0.686 629 2HG MET 86 2HG MET 86 0.120 7.228 -1.038 630 1HE MET 86 1HE MET 86 -1.930 9.381 -1.840 631 2HE MET 86 2HE MET 86 -0.920 10.834 -2.097 632 3HE MET 86 3HE MET 86 -0.347 9.239 -2.666 633 H LYS 87 H LYS 87 -4.287 6.007 1.461 634 HA LYS 87 HA LYS 87 -4.936 8.008 3.500 635 1HB LYS 87 1HB LYS 87 -7.179 6.597 3.683 636 2HB LYS 87 2HB LYS 87 -6.532 5.676 2.332 637 1HG LYS 87 1HG LYS 87 -7.179 7.224 0.836 638 2HG LYS 87 2HG LYS 87 -6.263 8.491 1.634 639 1HD LYS 87 1HD LYS 87 -9.201 7.837 1.770 640 2HD LYS 87 2HD LYS 87 -8.477 8.262 3.317 641 1HE LYS 87 1HE LYS 87 -7.454 10.303 1.659 642 2HE LYS 87 2HE LYS 87 -9.057 10.037 0.961 643 1HZ LYS 87 1HZ LYS 87 -9.105 10.110 3.842 644 2HZ LYS 87 2HZ LYS 87 -10.025 10.942 2.750 645 3HZ LYS 87 3HZ LYS 87 -8.534 11.512 3.178 646 H GLU 88 H GLU 88 -4.414 4.498 3.625 647 HA GLU 88 HA GLU 88 -5.235 3.852 6.313 648 1HB GLU 88 1HB GLU 88 -4.711 1.917 5.260 649 2HB GLU 88 2HB GLU 88 -3.429 2.622 4.294 650 1HG GLU 88 1HG GLU 88 -1.974 2.588 6.494 651 2HG GLU 88 2HG GLU 88 -3.241 1.593 7.190 652 H ASP 89 H ASP 89 -2.045 4.936 5.113 653 HA ASP 89 HA ASP 89 -0.631 5.167 7.614 654 1HB ASP 89 1HB ASP 89 -0.242 6.757 5.021 655 2HB ASP 89 2HB ASP 89 0.777 6.988 6.424 656 H ALA 90 H ALA 90 -1.320 6.172 9.328 657 HA ALA 90 HA ALA 90 -2.583 8.965 9.127 658 1HB ALA 90 1HB ALA 90 -4.000 8.425 11.125 659 2HB ALA 90 2HB ALA 90 -4.360 7.321 9.783 660 3HB ALA 90 3HB ALA 90 -3.374 6.757 11.155 Start of MODEL 8 Raw file had 660 H/Q atoms Start of MODEL 8 1 1H ALA 1 1H ALA 1 -20.683 0.004 -14.114 2 2H ALA 1 2H ALA 1 -21.886 1.116 -14.493 3 3H ALA 1 3H ALA 1 -21.787 -0.335 -15.336 4 HA ALA 1 HA ALA 1 -19.511 0.339 -16.057 5 1HB ALA 1 1HB ALA 1 -21.776 0.408 -17.406 6 2HB ALA 1 2HB ALA 1 -20.392 1.310 -18.052 7 3HB ALA 1 3HB ALA 1 -21.698 2.174 -17.202 8 H SER 2 H SER 2 -18.456 1.333 -14.236 9 HA SER 2 HA SER 2 -18.068 4.309 -14.597 10 1HB SER 2 1HB SER 2 -19.956 3.606 -12.730 11 2HB SER 2 2HB SER 2 -18.513 3.605 -11.713 12 HG SER 2 HG SER 2 -18.373 5.664 -11.904 13 H MET 3 H MET 3 -15.963 4.190 -15.010 14 HA MET 3 HA MET 3 -14.090 2.805 -13.014 15 1HB MET 3 1HB MET 3 -12.510 2.562 -15.101 16 2HB MET 3 2HB MET 3 -13.786 1.391 -14.824 17 1HG MET 3 1HG MET 3 -14.552 3.731 -16.589 18 2HG MET 3 2HG MET 3 -13.320 2.638 -17.235 19 1HE MET 3 1HE MET 3 -15.435 3.036 -18.825 20 2HE MET 3 2HE MET 3 -17.090 2.560 -18.344 21 3HE MET 3 3HE MET 3 -16.072 1.423 -19.275 22 H THR 4 H THR 4 -15.096 5.498 -12.995 23 HA THR 4 HA THR 4 -12.565 7.107 -13.550 24 HB THR 4 HB THR 4 -15.053 8.682 -13.171 25 HG1 THR 4 HG1 THR 4 -16.086 7.673 -14.579 26 1HG2 THR 4 1HG2 THR 4 -14.045 9.615 -15.514 27 2HG2 THR 4 2HG2 THR 4 -12.538 8.946 -14.849 28 3HG2 THR 4 3HG2 THR 4 -13.443 10.186 -13.943 29 H ASP 5 H ASP 5 -15.202 6.455 -11.277 30 HA ASP 5 HA ASP 5 -14.562 8.076 -9.002 31 1HB ASP 5 1HB ASP 5 -16.516 6.421 -9.196 32 2HB ASP 5 2HB ASP 5 -15.765 6.609 -7.628 33 H GLN 6 H GLN 6 -12.959 5.230 -10.294 34 HA GLN 6 HA GLN 6 -11.259 4.452 -8.077 35 1HB GLN 6 1HB GLN 6 -11.671 3.251 -10.379 36 2HB GLN 6 2HB GLN 6 -10.352 4.236 -10.985 37 1HG GLN 6 1HG GLN 6 -8.716 3.068 -9.831 38 2HG GLN 6 2HG GLN 6 -9.718 2.781 -8.426 39 1HE2 GLN 6 1HE2 GLN 6 -9.328 -0.163 -11.205 40 2HE2 GLN 6 2HE2 GLN 6 -8.475 1.457 -11.331 41 H GLN 7 H GLN 7 -10.546 6.593 -10.857 42 HA GLN 7 HA GLN 7 -7.958 7.556 -9.567 43 1HB GLN 7 1HB GLN 7 -7.371 8.525 -11.714 44 2HB GLN 7 2HB GLN 7 -7.944 6.884 -11.982 45 1HG GLN 7 1HG GLN 7 -10.311 8.084 -12.454 46 2HG GLN 7 2HG GLN 7 -9.310 9.494 -12.766 47 1HE2 GLN 7 1HE2 GLN 7 -9.552 6.503 -15.548 48 2HE2 GLN 7 2HE2 GLN 7 -10.528 6.542 -13.995 49 H ALA 8 H ALA 8 -10.826 8.294 -8.749 50 HA ALA 8 HA ALA 8 -11.005 11.261 -9.295 51 1HB ALA 8 1HB ALA 8 -13.127 11.146 -7.993 52 2HB ALA 8 2HB ALA 8 -13.095 9.937 -9.291 53 3HB ALA 8 3HB ALA 8 -12.830 9.435 -7.601 54 H GLU 9 H GLU 9 -10.157 8.996 -6.727 55 HA GLU 9 HA GLU 9 -9.960 11.051 -4.553 56 1HB GLU 9 1HB GLU 9 -8.740 8.874 -3.415 57 2HB GLU 9 2HB GLU 9 -10.468 9.195 -3.387 58 1HG GLU 9 1HG GLU 9 -10.920 7.646 -5.236 59 2HG GLU 9 2HG GLU 9 -9.209 7.454 -5.597 60 H ALA 10 H ALA 10 -7.710 9.089 -6.499 61 HA ALA 10 HA ALA 10 -5.234 9.956 -5.155 62 1HB ALA 10 1HB ALA 10 -4.059 8.850 -7.052 63 2HB ALA 10 2HB ALA 10 -5.350 7.820 -6.403 64 3HB ALA 10 3HB ALA 10 -5.590 8.683 -7.944 65 NH1 ARG 11 NH1 ARG 11 -3.454 11.321 -12.528 66 NH2 ARG 11 NH2 ARG 11 -4.114 11.477 -14.696 67 H ARG 11 H ARG 11 -7.049 11.058 -7.981 68 HA ARG 11 HA ARG 11 -4.985 12.980 -9.002 69 1HB ARG 11 1HB ARG 11 -7.735 12.090 -9.853 70 2HB ARG 11 2HB ARG 11 -7.346 13.765 -10.215 71 1HG ARG 11 1HG ARG 11 -5.390 11.538 -10.984 72 2HG ARG 11 2HG ARG 11 -6.769 11.932 -12.013 73 1HD ARG 11 1HD ARG 11 -5.966 14.394 -12.012 74 2HD ARG 11 2HD ARG 11 -4.494 13.862 -11.196 75 HE ARG 11 HE ARG 11 -4.750 13.807 -13.994 76 1HH1 ARG 11 1HH1 ARG 11 -3.452 11.738 -11.590 77 2HH1 ARG 11 2HH1 ARG 11 -3.006 10.443 -12.811 78 1HH2 ARG 11 1HH2 ARG 11 -4.630 12.004 -15.409 79 2HH2 ARG 11 2HH2 ARG 11 -3.605 10.597 -14.831 80 H ALA 12 H ALA 12 -7.907 13.069 -7.020 81 HA ALA 12 HA ALA 12 -8.190 16.029 -6.860 82 1HB ALA 12 1HB ALA 12 -9.871 15.563 -5.088 83 2HB ALA 12 2HB ALA 12 -10.150 14.553 -6.521 84 3HB ALA 12 3HB ALA 12 -9.413 13.843 -5.063 85 H PHE 13 H PHE 13 -6.480 13.518 -5.088 86 HA PHE 13 HA PHE 13 -5.900 15.044 -2.623 87 1HB PHE 13 1HB PHE 13 -4.407 12.591 -3.709 88 2HB PHE 13 2HB PHE 13 -5.934 12.493 -2.873 89 HD1 PHE 13 HD1 PHE 13 -3.209 14.941 -1.949 90 HD2 PHE 13 HD2 PHE 13 -5.101 11.203 -0.961 91 HE1 PHE 13 HE1 PHE 13 -1.967 14.860 0.174 92 HE2 PHE 13 HE2 PHE 13 -3.856 11.144 1.159 93 HZ PHE 13 HZ PHE 13 -2.285 12.965 1.729 94 H LEU 14 H LEU 14 -4.030 14.176 -5.541 95 HA LEU 14 HA LEU 14 -2.087 16.502 -5.049 96 1HB LEU 14 1HB LEU 14 -0.543 14.914 -4.529 97 2HB LEU 14 2HB LEU 14 -0.396 14.788 -6.268 98 HG LEU 14 HG LEU 14 -2.321 12.940 -4.758 99 1HD1 LEU 14 1HD1 LEU 14 -1.931 11.424 -6.703 100 2HD1 LEU 14 2HD1 LEU 14 -2.527 13.002 -7.249 101 3HD1 LEU 14 3HD1 LEU 14 -0.802 12.597 -7.427 102 1HD2 LEU 14 1HD2 LEU 14 0.696 12.410 -5.195 103 2HD2 LEU 14 2HD2 LEU 14 -0.114 12.631 -3.625 104 3HD2 LEU 14 3HD2 LEU 14 -0.495 11.217 -4.619 105 H SER 15 H SER 15 -1.674 17.697 -6.776 106 HA SER 15 HA SER 15 -3.387 17.499 -9.184 107 1HB SER 15 1HB SER 15 -1.494 19.485 -9.762 108 2HB SER 15 2HB SER 15 -1.552 19.507 -7.997 109 HG SER 15 HG SER 15 -3.505 20.078 -9.874 110 H GLU 16 H GLU 16 -1.803 18.313 -11.249 111 HA GLU 16 HA GLU 16 -0.659 15.796 -12.283 112 1HB GLU 16 1HB GLU 16 -0.610 18.632 -13.438 113 2HB GLU 16 2HB GLU 16 -1.789 17.381 -13.777 114 1HG GLU 16 1HG GLU 16 1.144 17.516 -14.673 115 2HG GLU 16 2HG GLU 16 0.297 15.978 -14.678 116 H GLU 17 H GLU 17 0.607 18.731 -10.839 117 HA GLU 17 HA GLU 17 3.430 18.470 -11.562 118 1HB GLU 17 1HB GLU 17 2.018 20.034 -9.389 119 2HB GLU 17 2HB GLU 17 2.887 20.610 -10.798 120 1HG GLU 17 1HG GLU 17 5.079 20.068 -9.733 121 2HG GLU 17 2HG GLU 17 4.278 19.280 -8.384 122 H MET 18 H MET 18 1.555 17.321 -8.768 123 HA MET 18 HA MET 18 3.867 16.126 -7.305 124 1HB MET 18 1HB MET 18 0.864 16.175 -6.848 125 2HB MET 18 2HB MET 18 1.796 14.907 -6.073 126 1HG MET 18 1HG MET 18 1.368 17.391 -4.953 127 2HG MET 18 2HG MET 18 2.935 17.683 -5.726 128 1HE MET 18 1HE MET 18 5.206 16.562 -5.086 129 2HE MET 18 2HE MET 18 5.339 15.062 -4.120 130 3HE MET 18 3HE MET 18 4.552 15.021 -5.726 131 H ILE 19 H ILE 19 1.360 15.049 -9.540 132 HA ILE 19 HA ILE 19 1.660 12.149 -9.233 133 HB ILE 19 HB ILE 19 0.233 13.945 -11.117 134 1HG1 ILE 19 1HG1 ILE 19 -0.360 11.725 -9.261 135 2HG1 ILE 19 2HG1 ILE 19 -1.087 11.396 -10.819 136 1HG2 ILE 19 1HG2 ILE 19 -0.118 12.253 -12.933 137 2HG2 ILE 19 2HG2 ILE 19 1.583 12.708 -12.846 138 3HG2 ILE 19 3HG2 ILE 19 1.053 11.152 -12.166 139 1HD1 ILE 19 1HD1 ILE 19 -2.371 13.517 -10.804 140 2HD1 ILE 19 2HD1 ILE 19 -2.666 12.596 -9.315 141 3HD1 ILE 19 3HD1 ILE 19 -1.586 14.009 -9.279 142 H ALA 20 H ALA 20 3.333 14.623 -11.109 143 HA ALA 20 HA ALA 20 4.841 13.098 -13.007 144 1HB ALA 20 1HB ALA 20 6.479 14.977 -13.002 145 2HB ALA 20 2HB ALA 20 4.807 15.573 -13.002 146 3HB ALA 20 3HB ALA 20 5.772 15.629 -11.505 147 H GLU 21 H GLU 21 5.465 13.684 -9.566 148 HA GLU 21 HA GLU 21 8.179 12.700 -9.345 149 1HB GLU 21 1HB GLU 21 7.208 12.079 -6.861 150 2HB GLU 21 2HB GLU 21 5.935 13.161 -7.391 151 1HG GLU 21 1HG GLU 21 7.838 14.252 -6.067 152 2HG GLU 21 2HG GLU 21 8.933 13.900 -7.392 153 H PHE 22 H PHE 22 5.046 11.060 -9.215 154 HA PHE 22 HA PHE 22 6.091 8.320 -8.700 155 1HB PHE 22 1HB PHE 22 3.344 8.931 -9.920 156 2HB PHE 22 2HB PHE 22 3.839 7.531 -9.007 157 HD1 PHE 22 HD1 PHE 22 3.376 11.267 -8.558 158 HD2 PHE 22 HD2 PHE 22 3.473 7.405 -6.658 159 HE1 PHE 22 HE1 PHE 22 2.739 12.293 -6.417 160 HE2 PHE 22 HE2 PHE 22 2.827 8.452 -4.526 161 HZ PHE 22 HZ PHE 22 2.505 10.898 -4.390 162 H LYS 23 H LYS 23 5.408 10.323 -11.499 163 HA LYS 23 HA LYS 23 5.134 8.412 -13.647 164 1HB LYS 23 1HB LYS 23 5.146 11.153 -13.584 165 2HB LYS 23 2HB LYS 23 6.761 10.908 -14.211 166 1HG LYS 23 1HG LYS 23 4.464 9.441 -15.580 167 2HG LYS 23 2HG LYS 23 4.601 11.179 -15.787 168 1HD LYS 23 1HD LYS 23 7.200 10.548 -16.352 169 2HD LYS 23 2HD LYS 23 6.468 8.999 -16.787 170 1HE LYS 23 1HE LYS 23 5.049 11.453 -17.870 171 2HE LYS 23 2HE LYS 23 6.656 11.135 -18.540 172 1HZ LYS 23 1HZ LYS 23 5.581 8.686 -18.651 173 2HZ LYS 23 2HZ LYS 23 5.462 9.783 -19.881 174 3HZ LYS 23 3HZ LYS 23 4.207 9.588 -18.824 175 H ALA 24 H ALA 24 8.051 9.830 -12.179 176 HA ALA 24 HA ALA 24 10.086 8.863 -13.986 177 1HB ALA 24 1HB ALA 24 11.689 9.193 -12.113 178 2HB ALA 24 2HB ALA 24 10.558 10.553 -12.239 179 3HB ALA 24 3HB ALA 24 10.349 9.340 -10.951 180 H ALA 25 H ALA 25 8.912 7.410 -10.931 181 HA ALA 25 HA ALA 25 10.552 4.953 -11.079 182 1HB ALA 25 1HB ALA 25 9.189 4.183 -9.144 183 2HB ALA 25 2HB ALA 25 9.749 5.850 -8.910 184 3HB ALA 25 3HB ALA 25 8.054 5.537 -9.362 185 H PHE 26 H PHE 26 7.493 5.929 -12.420 186 HA PHE 26 HA PHE 26 6.141 3.349 -12.694 187 1HB PHE 26 1HB PHE 26 4.741 5.238 -13.000 188 2HB PHE 26 2HB PHE 26 5.800 6.010 -14.151 189 HD1 PHE 26 HD1 PHE 26 2.813 4.114 -13.784 190 HD2 PHE 26 HD2 PHE 26 6.159 4.519 -16.457 191 HE1 PHE 26 HE1 PHE 26 1.455 3.224 -15.636 192 HE2 PHE 26 HE2 PHE 26 4.787 3.624 -18.295 193 HZ PHE 26 HZ PHE 26 2.442 2.962 -17.886 194 H ASP 27 H ASP 27 8.511 5.075 -14.670 195 HA ASP 27 HA ASP 27 8.475 3.214 -16.977 196 1HB ASP 27 1HB ASP 27 9.240 5.635 -17.124 197 2HB ASP 27 2HB ASP 27 10.688 5.209 -16.241 198 H MET 28 H MET 28 10.277 3.494 -13.971 199 HA MET 28 HA MET 28 12.399 1.493 -14.484 200 1HB MET 28 1HB MET 28 11.303 2.002 -11.679 201 2HB MET 28 2HB MET 28 12.203 3.256 -12.513 202 1HG MET 28 1HG MET 28 14.247 1.976 -12.544 203 2HG MET 28 2HG MET 28 13.407 0.447 -12.230 204 1HE MET 28 1HE MET 28 13.041 -0.579 -9.947 205 2HE MET 28 2HE MET 28 12.673 0.372 -8.477 206 3HE MET 28 3HE MET 28 11.583 0.463 -9.892 207 H PHE 29 H PHE 29 9.052 1.393 -13.397 208 HA PHE 29 HA PHE 29 9.012 -1.459 -12.523 209 1HB PHE 29 1HB PHE 29 7.366 0.524 -11.857 210 2HB PHE 29 2HB PHE 29 6.516 0.120 -13.324 211 HD1 PHE 29 HD1 PHE 29 4.561 -0.346 -11.714 212 HD2 PHE 29 HD2 PHE 29 8.095 -2.806 -11.767 213 HE1 PHE 29 HE1 PHE 29 3.388 -2.082 -10.422 214 HE2 PHE 29 HE2 PHE 29 6.903 -4.524 -10.469 215 HZ PHE 29 HZ PHE 29 4.562 -4.158 -9.777 216 H ASP 30 H ASP 30 8.353 0.396 -15.451 217 HA ASP 30 HA ASP 30 7.177 -1.775 -17.063 218 1HB ASP 30 1HB ASP 30 7.185 0.889 -17.451 219 2HB ASP 30 2HB ASP 30 8.610 0.543 -18.403 220 H ALA 31 H ALA 31 8.517 -1.972 -19.361 221 HA ALA 31 HA ALA 31 11.425 -2.725 -18.880 222 1HB ALA 31 1HB ALA 31 11.083 -5.082 -19.633 223 2HB ALA 31 2HB ALA 31 10.200 -4.734 -18.134 224 3HB ALA 31 3HB ALA 31 9.320 -4.841 -19.681 225 H ASP 32 H ASP 32 8.636 -2.746 -21.092 226 HA ASP 32 HA ASP 32 10.359 -2.571 -23.576 227 1HB ASP 32 1HB ASP 32 8.542 -3.150 -24.850 228 2HB ASP 32 2HB ASP 32 8.090 -3.916 -23.345 229 H GLY 33 H GLY 33 7.804 -0.658 -21.949 230 1HA GLY 33 1HA GLY 33 7.847 1.791 -21.517 231 2HA GLY 33 2HA GLY 33 9.238 1.914 -22.570 232 H GLY 34 H GLY 34 5.802 0.909 -22.737 233 1HA GLY 34 1HA GLY 34 4.386 1.107 -24.851 234 2HA GLY 34 2HA GLY 34 5.457 2.409 -25.383 235 H GLY 35 H GLY 35 3.318 1.589 -22.650 236 1HA GLY 35 1HA GLY 35 2.889 4.216 -21.520 237 2HA GLY 35 2HA GLY 35 1.704 4.075 -22.826 238 H ASP 36 H ASP 36 2.965 1.559 -20.652 239 HA ASP 36 HA ASP 36 0.851 1.218 -18.762 240 1HB ASP 36 1HB ASP 36 -0.863 1.012 -20.400 241 2HB ASP 36 2HB ASP 36 -0.585 -0.596 -19.771 242 H ILE 37 H ILE 37 1.066 -0.679 -17.577 243 HA ILE 37 HA ILE 37 3.589 -2.306 -18.096 244 HB ILE 37 HB ILE 37 2.164 -2.855 -15.555 245 1HG1 ILE 37 1HG1 ILE 37 2.756 -0.017 -16.169 246 2HG1 ILE 37 2HG1 ILE 37 1.828 -0.720 -14.859 247 1HG2 ILE 37 1HG2 ILE 37 4.451 -2.987 -14.647 248 2HG2 ILE 37 2HG2 ILE 37 4.361 -3.880 -16.172 249 3HG2 ILE 37 3HG2 ILE 37 5.131 -2.276 -16.131 250 1HD1 ILE 37 1HD1 ILE 37 4.886 -0.369 -14.834 251 2HD1 ILE 37 2HD1 ILE 37 3.681 0.541 -13.897 252 3HD1 ILE 37 3HD1 ILE 37 3.947 -1.183 -13.553 253 H SER 38 H SER 38 3.388 -4.649 -17.333 254 HA SER 38 HA SER 38 0.704 -5.914 -18.086 255 1HB SER 38 1HB SER 38 2.470 -5.857 -20.030 256 2HB SER 38 2HB SER 38 1.566 -7.339 -19.711 257 HG SER 38 HG SER 38 3.629 -7.932 -19.846 258 H THR 39 H THR 39 1.335 -8.505 -17.805 259 HA THR 39 HA THR 39 1.729 -8.830 -14.841 260 HB THR 39 HB THR 39 1.411 -11.419 -15.786 261 HG1 THR 39 HG1 THR 39 0.205 -11.431 -17.471 262 1HG2 THR 39 1HG2 THR 39 -0.918 -11.306 -15.017 263 2HG2 THR 39 2HG2 THR 39 0.096 -10.366 -13.898 264 3HG2 THR 39 3HG2 THR 39 -0.924 -9.530 -15.098 265 H LYS 40 H LYS 40 3.274 -9.873 -17.877 266 HA LYS 40 HA LYS 40 5.400 -11.532 -16.752 267 1HB LYS 40 1HB LYS 40 4.910 -11.789 -19.053 268 2HB LYS 40 2HB LYS 40 5.069 -10.096 -19.439 269 1HG LYS 40 1HG LYS 40 7.648 -10.702 -18.548 270 2HG LYS 40 2HG LYS 40 7.138 -12.287 -19.066 271 1HD LYS 40 1HD LYS 40 6.948 -11.601 -21.410 272 2HD LYS 40 2HD LYS 40 6.900 -9.923 -20.955 273 1HE LYS 40 1HE LYS 40 9.230 -9.765 -20.457 274 2HE LYS 40 2HE LYS 40 9.473 -11.506 -20.456 275 1HZ LYS 40 1HZ LYS 40 9.523 -11.542 -22.742 276 2HZ LYS 40 2HZ LYS 40 10.047 -9.990 -22.527 277 3HZ LYS 40 3HZ LYS 40 8.474 -10.281 -22.940 278 H GLU 41 H GLU 41 5.059 -8.073 -17.430 279 HA GLU 41 HA GLU 41 7.889 -7.342 -16.802 280 1HB GLU 41 1HB GLU 41 7.336 -5.081 -17.269 281 2HB GLU 41 2HB GLU 41 5.625 -5.327 -16.996 282 1HG GLU 41 1HG GLU 41 7.252 -6.312 -19.417 283 2HG GLU 41 2HG GLU 41 5.617 -6.851 -19.099 284 H LEU 42 H LEU 42 4.743 -7.246 -15.189 285 HA LEU 42 HA LEU 42 5.252 -5.824 -12.758 286 1HB LEU 42 1HB LEU 42 3.699 -8.474 -12.884 287 2HB LEU 42 2HB LEU 42 3.053 -6.965 -13.489 288 HG LEU 42 HG LEU 42 2.426 -7.816 -11.055 289 1HD1 LEU 42 1HD1 LEU 42 3.882 -6.891 -9.234 290 2HD1 LEU 42 2HD1 LEU 42 4.739 -8.115 -10.184 291 3HD1 LEU 42 3HD1 LEU 42 5.096 -6.389 -10.438 292 1HD2 LEU 42 1HD2 LEU 42 3.161 -4.845 -11.517 293 2HD2 LEU 42 2HD2 LEU 42 1.631 -5.627 -11.984 294 3HD2 LEU 42 3HD2 LEU 42 2.050 -5.468 -10.269 295 H GLY 43 H GLY 43 5.603 -9.362 -13.181 296 1HA GLY 43 1HA GLY 43 7.100 -10.976 -12.153 297 2HA GLY 43 2HA GLY 43 6.794 -10.048 -10.679 298 H THR 44 H THR 44 8.273 -8.601 -13.507 299 HA THR 44 HA THR 44 11.052 -9.147 -13.142 300 HB THR 44 HB THR 44 10.124 -6.405 -14.105 301 HG1 THR 44 HG1 THR 44 10.301 -7.838 -16.162 302 1HG2 THR 44 1HG2 THR 44 12.020 -6.624 -15.720 303 2HG2 THR 44 2HG2 THR 44 12.598 -6.675 -14.042 304 3HG2 THR 44 3HG2 THR 44 12.482 -8.181 -14.988 305 H VAL 45 H VAL 45 9.291 -6.263 -11.967 306 HA VAL 45 HA VAL 45 11.553 -5.235 -10.350 307 HB VAL 45 HB VAL 45 8.813 -4.299 -11.002 308 1HG1 VAL 45 1HG1 VAL 45 11.352 -2.672 -10.363 309 2HG1 VAL 45 2HG1 VAL 45 11.014 -3.359 -11.956 310 3HG1 VAL 45 3HG1 VAL 45 9.916 -2.138 -11.274 311 1HG2 VAL 45 1HG2 VAL 45 8.473 -2.771 -9.129 312 2HG2 VAL 45 2HG2 VAL 45 8.660 -4.393 -8.422 313 3HG2 VAL 45 3HG2 VAL 45 10.009 -3.249 -8.359 314 H MET 46 H MET 46 8.697 -7.225 -9.791 315 HA MET 46 HA MET 46 8.584 -7.371 -6.911 316 1HB MET 46 1HB MET 46 8.024 -9.656 -8.895 317 2HB MET 46 2HB MET 46 7.623 -9.683 -7.187 318 1HG MET 46 1HG MET 46 6.177 -8.356 -9.428 319 2HG MET 46 2HG MET 46 6.398 -7.279 -8.038 320 1HE MET 46 1HE MET 46 4.869 -7.240 -6.029 321 2HE MET 46 2HE MET 46 4.285 -8.719 -5.212 322 3HE MET 46 3HE MET 46 6.041 -8.416 -5.354 323 NH1 ARG 47 NH1 ARG 47 18.011 -11.523 -9.901 324 NH2 ARG 47 NH2 ARG 47 18.713 -9.844 -8.539 325 H ARG 47 H ARG 47 10.812 -8.816 -9.214 326 HA ARG 47 HA ARG 47 12.049 -10.794 -7.366 327 1HB ARG 47 1HB ARG 47 12.633 -11.651 -9.358 328 2HB ARG 47 2HB ARG 47 12.187 -10.171 -10.195 329 1HG ARG 47 1HG ARG 47 14.503 -9.195 -9.518 330 2HG ARG 47 2HG ARG 47 14.460 -10.437 -10.770 331 1HD ARG 47 1HD ARG 47 14.769 -11.569 -7.993 332 2HD ARG 47 2HD ARG 47 15.582 -12.004 -9.489 333 HE ARG 47 HE ARG 47 16.444 -9.632 -7.790 334 1HH1 ARG 47 1HH1 ARG 47 17.228 -12.097 -10.233 335 2HH1 ARG 47 2HH1 ARG 47 18.990 -11.586 -10.199 336 1HH2 ARG 47 1HH2 ARG 47 18.470 -9.139 -7.834 337 2HH2 ARG 47 2HH2 ARG 47 19.643 -10.025 -8.932 338 H MET 48 H MET 48 12.681 -7.477 -8.346 339 HA MET 48 HA MET 48 15.441 -7.076 -7.729 340 1HB MET 48 1HB MET 48 13.085 -5.246 -7.851 341 2HB MET 48 2HB MET 48 14.329 -4.701 -6.741 342 1HG MET 48 1HG MET 48 14.314 -4.280 -9.527 343 2HG MET 48 2HG MET 48 15.495 -5.587 -9.342 344 1HE MET 48 1HE MET 48 14.624 -1.806 -8.658 345 2HE MET 48 2HE MET 48 16.317 -1.232 -8.692 346 3HE MET 48 3HE MET 48 15.663 -2.163 -10.072 347 H LEU 49 H LEU 49 12.695 -7.412 -5.551 348 HA LEU 49 HA LEU 49 14.356 -6.877 -3.068 349 1HB LEU 49 1HB LEU 49 12.208 -5.897 -2.881 350 2HB LEU 49 2HB LEU 49 12.168 -7.302 -1.838 351 HG LEU 49 HG LEU 49 10.997 -7.358 -4.682 352 1HD1 LEU 49 1HD1 LEU 49 9.436 -6.773 -2.088 353 2HD1 LEU 49 2HD1 LEU 49 9.896 -5.539 -3.276 354 3HD1 LEU 49 3HD1 LEU 49 8.777 -6.844 -3.742 355 1HD2 LEU 49 1HD2 LEU 49 9.751 -9.346 -3.939 356 2HD2 LEU 49 2HD2 LEU 49 11.463 -9.612 -3.525 357 3HD2 LEU 49 3HD2 LEU 49 10.315 -9.147 -2.261 358 H GLY 50 H GLY 50 15.336 -8.958 -4.508 359 1HA GLY 50 1HA GLY 50 16.052 -11.275 -4.311 360 2HA GLY 50 2HA GLY 50 15.820 -10.984 -2.583 361 H GLN 51 H GLN 51 14.009 -11.801 -5.531 362 HA GLN 51 HA GLN 51 12.613 -14.087 -4.154 363 1HB GLN 51 1HB GLN 51 10.633 -12.267 -5.508 364 2HB GLN 51 2HB GLN 51 11.272 -11.689 -3.981 365 1HG GLN 51 1HG GLN 51 10.315 -14.562 -4.008 366 2HG GLN 51 2HG GLN 51 9.082 -13.339 -4.216 367 1HE2 GLN 51 1HE2 GLN 51 9.023 -12.544 -0.734 368 2HE2 GLN 51 2HE2 GLN 51 8.193 -12.585 -2.370 369 H ASN 52 H ASN 52 10.995 -15.022 -5.888 370 HA ASN 52 HA ASN 52 11.776 -14.545 -8.738 371 1HB ASN 52 1HB ASN 52 12.133 -17.413 -7.744 372 2HB ASN 52 2HB ASN 52 13.449 -16.267 -7.602 373 1HD2 ASN 52 1HD2 ASN 52 13.413 -18.262 -10.940 374 2HD2 ASN 52 2HD2 ASN 52 13.361 -18.697 -9.158 375 HA PRO 53 HA PRO 53 7.282 -15.894 -8.122 376 1HB PRO 53 1HB PRO 53 6.576 -13.654 -8.216 377 2HB PRO 53 2HB PRO 53 6.101 -14.127 -9.855 378 1HG PRO 53 1HG PRO 53 7.990 -13.198 -10.901 379 2HG PRO 53 2HG PRO 53 7.828 -12.045 -9.557 380 1HD PRO 53 1HD PRO 53 9.700 -13.000 -8.399 381 2HD PRO 53 2HD PRO 53 10.142 -13.586 -10.030 382 H THR 54 H THR 54 5.508 -16.348 -9.916 383 HA THR 54 HA THR 54 6.764 -17.712 -12.354 384 HB THR 54 HB THR 54 6.166 -19.358 -10.535 385 HG1 THR 54 HG1 THR 54 5.230 -20.757 -11.995 386 1HG2 THR 54 1HG2 THR 54 3.818 -20.074 -10.231 387 2HG2 THR 54 2HG2 THR 54 4.005 -18.389 -9.695 388 3HG2 THR 54 3HG2 THR 54 3.233 -18.746 -11.261 389 H LYS 55 H LYS 55 5.295 -17.997 -14.134 390 HA LYS 55 HA LYS 55 4.019 -15.499 -14.901 391 1HB LYS 55 1HB LYS 55 4.052 -18.288 -16.170 392 2HB LYS 55 2HB LYS 55 4.923 -16.853 -16.671 393 1HG LYS 55 1HG LYS 55 2.064 -16.291 -16.825 394 2HG LYS 55 2HG LYS 55 3.278 -16.220 -18.091 395 1HD LYS 55 1HD LYS 55 2.782 -18.410 -18.885 396 2HD LYS 55 2HD LYS 55 1.210 -17.857 -18.331 397 1HE LYS 55 1HE LYS 55 2.909 -19.339 -16.306 398 2HE LYS 55 2HE LYS 55 1.155 -19.306 -16.465 399 1HZ LYS 55 1HZ LYS 55 1.757 -21.408 -17.219 400 2HZ LYS 55 2HZ LYS 55 3.116 -20.900 -18.009 401 3HZ LYS 55 3HZ LYS 55 1.625 -20.602 -18.656 402 H GLU 56 H GLU 56 2.774 -18.564 -13.663 403 HA GLU 56 HA GLU 56 -0.093 -18.045 -14.097 404 1HB GLU 56 1HB GLU 56 0.658 -19.939 -11.895 405 2HB GLU 56 2HB GLU 56 1.373 -20.291 -13.456 406 1HG GLU 56 1HG GLU 56 -0.557 -21.365 -14.013 407 2HG GLU 56 2HG GLU 56 -1.358 -19.805 -14.094 408 H GLU 57 H GLU 57 2.175 -17.522 -11.435 409 HA GLU 57 HA GLU 57 0.204 -16.831 -9.342 410 1HB GLU 57 1HB GLU 57 3.189 -16.777 -9.545 411 2HB GLU 57 2HB GLU 57 2.137 -17.504 -8.350 412 1HG GLU 57 1HG GLU 57 3.623 -15.021 -8.164 413 2HG GLU 57 2HG GLU 57 1.924 -14.566 -8.125 414 H LEU 58 H LEU 58 1.980 -15.050 -11.806 415 HA LEU 58 HA LEU 58 1.516 -12.331 -10.763 416 1HB LEU 58 1HB LEU 58 2.714 -13.559 -13.224 417 2HB LEU 58 2HB LEU 58 2.011 -11.974 -13.474 418 HG LEU 58 HG LEU 58 4.432 -11.824 -12.962 419 1HD1 LEU 58 1HD1 LEU 58 4.414 -10.192 -11.035 420 2HD1 LEU 58 2HD1 LEU 58 3.083 -9.875 -12.156 421 3HD1 LEU 58 3HD1 LEU 58 2.759 -10.698 -10.611 422 1HD2 LEU 58 1HD2 LEU 58 3.793 -13.161 -10.252 423 2HD2 LEU 58 2HD2 LEU 58 4.673 -13.909 -11.608 424 3HD2 LEU 58 3HD2 LEU 58 5.377 -12.521 -10.759 425 H ASP 59 H ASP 59 -0.146 -14.520 -12.967 426 HA ASP 59 HA ASP 59 -2.049 -12.643 -14.167 427 1HB ASP 59 1HB ASP 59 -2.349 -15.687 -13.870 428 2HB ASP 59 2HB ASP 59 -1.514 -14.871 -15.172 429 H ALA 60 H ALA 60 -2.042 -14.569 -11.220 430 HA ALA 60 HA ALA 60 -4.935 -14.148 -10.564 431 1HB ALA 60 1HB ALA 60 -4.413 -15.398 -8.474 432 2HB ALA 60 2HB ALA 60 -3.819 -16.256 -9.909 433 3HB ALA 60 3HB ALA 60 -2.675 -15.380 -8.861 434 H ILE 61 H ILE 61 -1.796 -12.829 -9.628 435 HA ILE 61 HA ILE 61 -2.561 -11.202 -7.337 436 HB ILE 61 HB ILE 61 -0.190 -11.385 -9.094 437 1HG1 ILE 61 1HG1 ILE 61 -0.832 -11.738 -6.313 438 2HG1 ILE 61 2HG1 ILE 61 0.692 -12.048 -7.116 439 1HG2 ILE 61 1HG2 ILE 61 0.791 -9.138 -8.548 440 2HG2 ILE 61 2HG2 ILE 61 -0.652 -8.959 -9.544 441 3HG2 ILE 61 3HG2 ILE 61 -0.743 -8.631 -7.798 442 1HD1 ILE 61 1HD1 ILE 61 -0.039 -9.379 -5.773 443 2HD1 ILE 61 2HD1 ILE 61 1.121 -10.600 -5.208 444 3HD1 ILE 61 3HD1 ILE 61 1.461 -9.681 -6.692 445 H ILE 62 H ILE 62 -2.592 -10.622 -10.835 446 HA ILE 62 HA ILE 62 -3.439 -7.767 -10.674 447 HB ILE 62 HB ILE 62 -3.135 -9.720 -12.989 448 1HG1 ILE 62 1HG1 ILE 62 -1.024 -8.723 -12.216 449 2HG1 ILE 62 2HG1 ILE 62 -1.711 -7.113 -12.175 450 1HG2 ILE 62 1HG2 ILE 62 -3.822 -7.929 -14.609 451 2HG2 ILE 62 2HG2 ILE 62 -5.173 -8.358 -13.563 452 3HG2 ILE 62 3HG2 ILE 62 -4.272 -6.855 -13.261 453 1HD1 ILE 62 1HD1 ILE 62 -1.862 -6.984 -14.647 454 2HD1 ILE 62 2HD1 ILE 62 -0.216 -7.416 -14.142 455 3HD1 ILE 62 3HD1 ILE 62 -1.295 -8.670 -14.793 456 H GLU 63 H GLU 63 -4.976 -10.905 -11.377 457 HA GLU 63 HA GLU 63 -7.676 -10.181 -11.893 458 1HB GLU 63 1HB GLU 63 -6.622 -12.595 -10.340 459 2HB GLU 63 2HB GLU 63 -6.978 -12.497 -12.054 460 1HG GLU 63 1HG GLU 63 -9.258 -11.997 -10.077 461 2HG GLU 63 2HG GLU 63 -9.338 -12.616 -11.717 462 H GLU 64 H GLU 64 -5.920 -10.245 -8.837 463 HA GLU 64 HA GLU 64 -8.215 -9.903 -7.025 464 1HB GLU 64 1HB GLU 64 -6.670 -10.518 -5.553 465 2HB GLU 64 2HB GLU 64 -5.393 -10.337 -6.739 466 1HG GLU 64 1HG GLU 64 -4.775 -8.172 -5.959 467 2HG GLU 64 2HG GLU 64 -6.366 -7.823 -5.304 468 H VAL 65 H VAL 65 -5.569 -7.601 -7.755 469 HA VAL 65 HA VAL 65 -7.393 -5.266 -7.070 470 HB VAL 65 HB VAL 65 -5.302 -5.332 -5.825 471 1HG1 VAL 65 1HG1 VAL 65 -5.145 -2.957 -7.791 472 2HG1 VAL 65 2HG1 VAL 65 -6.342 -3.079 -6.489 473 3HG1 VAL 65 3HG1 VAL 65 -4.609 -3.000 -6.093 474 1HG2 VAL 65 1HG2 VAL 65 -3.055 -5.124 -6.768 475 2HG2 VAL 65 2HG2 VAL 65 -3.833 -6.480 -7.619 476 3HG2 VAL 65 3HG2 VAL 65 -3.683 -4.909 -8.420 477 H ASP 66 H ASP 66 -8.533 -5.733 -9.111 478 HA ASP 66 HA ASP 66 -7.841 -3.808 -11.228 479 1HB ASP 66 1HB ASP 66 -7.417 -6.733 -12.065 480 2HB ASP 66 2HB ASP 66 -6.128 -5.593 -11.757 481 H GLU 67 H GLU 67 -9.987 -3.625 -10.067 482 HA GLU 67 HA GLU 67 -12.226 -5.414 -10.995 483 1HB GLU 67 1HB GLU 67 -11.985 -4.420 -8.627 484 2HB GLU 67 2HB GLU 67 -12.473 -2.875 -9.297 485 1HG GLU 67 1HG GLU 67 -14.706 -3.698 -9.851 486 2HG GLU 67 2HG GLU 67 -14.231 -5.376 -9.654 487 H ASP 68 H ASP 68 -10.668 -3.738 -12.928 488 HA ASP 68 HA ASP 68 -12.777 -1.760 -13.920 489 1HB ASP 68 1HB ASP 68 -10.346 -0.945 -13.479 490 2HB ASP 68 2HB ASP 68 -11.161 -0.449 -14.944 491 H GLY 69 H GLY 69 -10.611 -4.416 -14.886 492 1HA GLY 69 1HA GLY 69 -11.330 -6.304 -16.364 493 2HA GLY 69 2HA GLY 69 -12.583 -5.255 -17.044 494 H SER 70 H SER 70 -9.032 -5.100 -16.675 495 HA SER 70 HA SER 70 -8.738 -4.563 -19.678 496 1HB SER 70 1HB SER 70 -8.524 -2.386 -18.638 497 2HB SER 70 2HB SER 70 -6.930 -2.900 -19.195 498 HG SER 70 HG SER 70 -6.322 -3.314 -17.161 499 H GLY 71 H GLY 71 -6.957 -5.288 -16.650 500 1HA GLY 71 1HA GLY 71 -5.422 -7.541 -18.065 501 2HA GLY 71 2HA GLY 71 -5.725 -7.478 -16.323 502 H THR 72 H THR 72 -4.781 -4.665 -18.195 503 HA THR 72 HA THR 72 -1.888 -4.843 -17.306 504 HB THR 72 HB THR 72 -1.596 -2.780 -18.827 505 HG1 THR 72 HG1 THR 72 -3.797 -3.585 -20.248 506 1HG2 THR 72 1HG2 THR 72 -1.474 -4.059 -20.927 507 2HG2 THR 72 2HG2 THR 72 -0.845 -5.066 -19.604 508 3HG2 THR 72 3HG2 THR 72 -2.473 -5.372 -20.266 509 H ILE 73 H ILE 73 -0.907 -3.323 -16.045 510 HA ILE 73 HA ILE 73 -2.720 -1.624 -14.281 511 HB ILE 73 HB ILE 73 0.157 -2.577 -13.879 512 1HG1 ILE 73 1HG1 ILE 73 -2.543 -3.370 -12.687 513 2HG1 ILE 73 2HG1 ILE 73 -1.133 -3.439 -11.651 514 1HG2 ILE 73 1HG2 ILE 73 0.210 -1.385 -11.692 515 2HG2 ILE 73 2HG2 ILE 73 -0.059 -0.218 -12.994 516 3HG2 ILE 73 3HG2 ILE 73 -1.418 -0.721 -11.960 517 1HD1 ILE 73 1HD1 ILE 73 0.026 -5.051 -13.137 518 2HD1 ILE 73 2HD1 ILE 73 -1.588 -5.645 -12.696 519 3HD1 ILE 73 3HD1 ILE 73 -1.312 -4.962 -14.316 520 H ASP 74 H ASP 74 -3.118 -0.115 -15.947 521 HA ASP 74 HA ASP 74 -0.985 1.464 -17.264 522 1HB ASP 74 1HB ASP 74 -3.854 2.476 -17.050 523 2HB ASP 74 2HB ASP 74 -2.673 2.763 -18.307 524 H PHE 75 H PHE 75 -0.855 3.851 -17.008 525 HA PHE 75 HA PHE 75 0.102 4.595 -14.369 526 1HB PHE 75 1HB PHE 75 -0.815 6.603 -16.511 527 2HB PHE 75 2HB PHE 75 0.664 5.693 -16.658 528 HD1 PHE 75 HD1 PHE 75 2.262 5.818 -14.409 529 HD2 PHE 75 HD2 PHE 75 -0.671 8.763 -15.526 530 HE1 PHE 75 HE1 PHE 75 3.350 7.472 -12.946 531 HE2 PHE 75 HE2 PHE 75 0.438 10.405 -14.063 532 HZ PHE 75 HZ PHE 75 2.424 9.755 -12.748 533 H GLU 76 H GLU 76 -3.082 4.677 -15.814 534 HA GLU 76 HA GLU 76 -4.283 6.537 -13.775 535 1HB GLU 76 1HB GLU 76 -6.170 6.664 -15.117 536 2HB GLU 76 2HB GLU 76 -5.972 5.059 -15.793 537 1HG GLU 76 1HG GLU 76 -4.615 7.662 -16.635 538 2HG GLU 76 2HG GLU 76 -3.793 6.149 -16.952 539 H GLU 77 H GLU 77 -3.171 4.223 -12.668 540 HA GLU 77 HA GLU 77 -5.424 3.237 -11.011 541 1HB GLU 77 1HB GLU 77 -4.694 0.713 -11.568 542 2HB GLU 77 2HB GLU 77 -6.059 1.518 -12.306 543 1HG GLU 77 1HG GLU 77 -3.366 0.810 -13.552 544 2HG GLU 77 2HG GLU 77 -4.233 2.195 -14.205 545 H PHE 78 H PHE 78 -2.080 2.775 -12.102 546 HA PHE 78 HA PHE 78 -0.907 1.476 -9.837 547 1HB PHE 78 1HB PHE 78 0.278 1.962 -12.020 548 2HB PHE 78 2HB PHE 78 0.423 3.646 -11.586 549 HD1 PHE 78 HD1 PHE 78 1.000 0.467 -9.545 550 HD2 PHE 78 HD2 PHE 78 2.742 4.036 -11.199 551 HE1 PHE 78 HE1 PHE 78 3.150 -0.074 -8.476 552 HE2 PHE 78 HE2 PHE 78 4.887 3.474 -10.131 553 HZ PHE 78 HZ PHE 78 5.100 1.415 -8.781 554 H LEU 79 H LEU 79 -1.436 4.948 -10.416 555 HA LEU 79 HA LEU 79 -0.245 5.891 -7.873 556 1HB LEU 79 1HB LEU 79 -0.567 7.219 -10.100 557 2HB LEU 79 2HB LEU 79 -0.709 8.055 -8.569 558 HG LEU 79 HG LEU 79 -3.389 7.228 -9.188 559 1HD1 LEU 79 1HD1 LEU 79 -2.095 8.496 -11.683 560 2HD1 LEU 79 2HD1 LEU 79 -2.558 6.789 -11.557 561 3HD1 LEU 79 3HD1 LEU 79 -3.808 8.054 -11.472 562 1HD2 LEU 79 1HD2 LEU 79 -3.873 9.636 -9.295 563 2HD2 LEU 79 2HD2 LEU 79 -2.609 9.411 -8.060 564 3HD2 LEU 79 3HD2 LEU 79 -2.174 10.026 -9.662 565 H VAL 80 H VAL 80 -3.456 4.944 -8.944 566 HA VAL 80 HA VAL 80 -5.024 5.970 -6.693 567 HB VAL 80 HB VAL 80 -5.587 3.797 -8.746 568 1HG1 VAL 80 1HG1 VAL 80 -7.917 3.567 -7.856 569 2HG1 VAL 80 2HG1 VAL 80 -6.734 2.997 -6.672 570 3HG1 VAL 80 3HG1 VAL 80 -7.502 4.586 -6.454 571 1HG2 VAL 80 1HG2 VAL 80 -6.997 6.495 -8.216 572 2HG2 VAL 80 2HG2 VAL 80 -5.832 6.186 -9.524 573 3HG2 VAL 80 3HG2 VAL 80 -7.385 5.338 -9.513 574 H MET 81 H MET 81 -3.088 3.081 -7.214 575 HA MET 81 HA MET 81 -3.980 1.573 -4.794 576 1HB MET 81 1HB MET 81 -2.591 0.832 -7.096 577 2HB MET 81 2HB MET 81 -1.289 0.908 -5.922 578 1HG MET 81 1HG MET 81 -3.771 -0.897 -5.825 579 2HG MET 81 2HG MET 81 -2.781 -0.619 -4.382 580 1HE MET 81 1HE MET 81 -2.669 -1.659 -8.217 581 2HE MET 81 2HE MET 81 -1.731 -3.175 -8.068 582 3HE MET 81 3HE MET 81 -3.307 -3.019 -7.240 583 H MET 82 H MET 82 -1.103 3.482 -5.711 584 HA MET 82 HA MET 82 0.416 3.155 -3.245 585 1HB MET 82 1HB MET 82 0.550 5.114 -5.554 586 2HB MET 82 2HB MET 82 1.402 5.541 -4.082 587 1HG MET 82 1HG MET 82 2.095 2.779 -4.622 588 2HG MET 82 2HG MET 82 2.163 3.633 -6.169 589 1HE MET 82 1HE MET 82 4.675 2.310 -4.215 590 2HE MET 82 2HE MET 82 3.830 2.945 -2.772 591 3HE MET 82 3HE MET 82 5.464 3.544 -3.182 592 H VAL 83 H VAL 83 -2.150 5.366 -4.198 593 HA VAL 83 HA VAL 83 -1.980 7.253 -1.931 594 HB VAL 83 HB VAL 83 -3.974 6.759 -4.123 595 1HG1 VAL 83 1HG1 VAL 83 -2.897 9.417 -2.993 596 2HG1 VAL 83 2HG1 VAL 83 -2.062 8.489 -4.246 597 3HG1 VAL 83 3HG1 VAL 83 -3.687 9.137 -4.567 598 1HG2 VAL 83 1HG2 VAL 83 -5.748 8.153 -3.193 599 2HG2 VAL 83 2HG2 VAL 83 -5.443 6.870 -1.999 600 3HG2 VAL 83 3HG2 VAL 83 -4.811 8.499 -1.717 601 NH1 ARG 84 NH1 ARG 84 -8.820 -0.415 -4.257 602 NH2 ARG 84 NH2 ARG 84 -8.473 -1.733 -2.440 603 H ARG 84 H ARG 84 -3.758 4.260 -2.618 604 HA ARG 84 HA ARG 84 -5.527 4.146 -0.297 605 1HB ARG 84 1HB ARG 84 -4.571 2.196 -2.367 606 2HB ARG 84 2HB ARG 84 -4.950 1.463 -0.815 607 1HG ARG 84 1HG ARG 84 -7.005 3.414 -1.880 608 2HG ARG 84 2HG ARG 84 -7.238 1.949 -0.922 609 1HD ARG 84 1HD ARG 84 -6.209 1.745 -3.807 610 2HD ARG 84 2HD ARG 84 -7.936 1.944 -3.502 611 HE ARG 84 HE ARG 84 -6.338 -0.391 -2.311 612 1HH1 ARG 84 1HH1 ARG 84 -7.931 -1.906 -1.585 613 2HH1 ARG 84 2HH1 ARG 84 -9.250 -2.296 -2.800 614 1HH2 ARG 84 1HH2 ARG 84 -8.581 0.445 -4.762 615 2HH2 ARG 84 2HH2 ARG 84 -9.531 -1.106 -4.523 616 H GLN 85 H GLN 85 -2.162 3.175 -0.806 617 HA GLN 85 HA GLN 85 -1.850 1.752 1.803 618 1HB GLN 85 1HB GLN 85 0.736 2.104 1.005 619 2HB GLN 85 2HB GLN 85 -0.051 2.398 -0.535 620 1HG GLN 85 1HG GLN 85 -1.356 0.074 0.172 621 2HG GLN 85 2HG GLN 85 0.080 0.143 -0.826 622 1HE2 GLN 85 1HE2 GLN 85 0.928 -2.361 1.779 623 2HE2 GLN 85 2HE2 GLN 85 -0.223 -2.171 0.363 624 H MET 86 H MET 86 -1.214 4.958 0.485 625 HA MET 86 HA MET 86 0.545 6.047 2.547 626 1HB MET 86 1HB MET 86 -0.414 6.990 0.123 627 2HB MET 86 2HB MET 86 0.573 7.877 1.269 628 1HG MET 86 1HG MET 86 -1.761 8.613 2.365 629 2HG MET 86 2HG MET 86 -2.483 7.987 0.876 630 1HE MET 86 1HE MET 86 -3.270 9.778 -0.718 631 2HE MET 86 2HE MET 86 -2.083 10.740 -1.648 632 3HE MET 86 3HE MET 86 -1.965 8.956 -1.630 633 H LYS 87 H LYS 87 -2.976 5.921 2.187 634 HA LYS 87 HA LYS 87 -3.688 7.496 4.618 635 1HB LYS 87 1HB LYS 87 -5.866 7.212 4.027 636 2HB LYS 87 2HB LYS 87 -5.204 6.666 2.493 637 1HG LYS 87 1HG LYS 87 -5.371 4.286 3.176 638 2HG LYS 87 2HG LYS 87 -5.918 4.732 4.783 639 1HD LYS 87 1HD LYS 87 -7.650 3.983 2.892 640 2HD LYS 87 2HD LYS 87 -8.069 5.209 4.083 641 1HE LYS 87 1HE LYS 87 -7.850 7.035 2.506 642 2HE LYS 87 2HE LYS 87 -6.898 6.071 1.369 643 1HZ LYS 87 1HZ LYS 87 -9.519 6.466 1.126 644 2HZ LYS 87 2HZ LYS 87 -9.560 5.032 1.945 645 3HZ LYS 87 3HZ LYS 87 -8.754 5.139 0.507 646 H GLU 88 H GLU 88 -4.895 6.436 6.421 647 HA GLU 88 HA GLU 88 -3.236 4.297 7.675 648 1HB GLU 88 1HB GLU 88 -4.864 4.587 9.634 649 2HB GLU 88 2HB GLU 88 -3.836 5.943 9.216 650 1HG GLU 88 1HG GLU 88 -5.635 7.294 8.543 651 2HG GLU 88 2HG GLU 88 -6.582 5.947 7.934 652 H ASP 89 H ASP 89 -3.502 2.330 6.891 653 HA ASP 89 HA ASP 89 -6.252 1.027 7.052 654 1HB ASP 89 1HB ASP 89 -4.469 0.194 4.732 655 2HB ASP 89 2HB ASP 89 -5.433 1.644 4.573 656 H ALA 90 H ALA 90 -5.183 0.542 9.115 657 HA ALA 90 HA ALA 90 -4.262 -1.125 10.617 658 1HB ALA 90 1HB ALA 90 -3.464 -3.317 9.698 659 2HB ALA 90 2HB ALA 90 -5.062 -2.908 9.045 660 3HB ALA 90 3HB ALA 90 -3.613 -2.707 8.031 Start of MODEL 9 Raw file had 660 H/Q atoms Start of MODEL 9 1 1H ALA 1 1H ALA 1 -25.659 6.726 -11.255 2 2H ALA 1 2H ALA 1 -25.751 8.404 -11.318 3 3H ALA 1 3H ALA 1 -26.816 7.469 -12.224 4 HA ALA 1 HA ALA 1 -25.307 6.874 -13.775 5 1HB ALA 1 1HB ALA 1 -24.398 8.936 -14.618 6 2HB ALA 1 2HB ALA 1 -24.169 9.625 -13.000 7 3HB ALA 1 3HB ALA 1 -25.812 9.447 -13.666 8 H SER 2 H SER 2 -22.946 6.917 -14.435 9 HA SER 2 HA SER 2 -21.355 5.216 -12.668 10 1HB SER 2 1HB SER 2 -21.231 5.377 -15.234 11 2HB SER 2 2HB SER 2 -20.232 6.818 -15.026 12 HG SER 2 HG SER 2 -18.739 5.625 -13.924 13 H MET 3 H MET 3 -19.195 5.737 -11.860 14 HA MET 3 HA MET 3 -18.712 8.638 -11.029 15 1HB MET 3 1HB MET 3 -18.065 7.356 -8.682 16 2HB MET 3 2HB MET 3 -19.573 8.200 -8.988 17 1HG MET 3 1HG MET 3 -20.514 5.878 -9.818 18 2HG MET 3 2HG MET 3 -19.060 5.175 -9.099 19 1HE MET 3 1HE MET 3 -21.623 7.937 -8.550 20 2HE MET 3 2HE MET 3 -21.930 7.958 -6.789 21 3HE MET 3 3HE MET 3 -22.800 6.793 -7.829 22 H THR 4 H THR 4 -17.436 5.333 -10.477 23 HA THR 4 HA THR 4 -15.350 4.316 -10.965 24 HB THR 4 HB THR 4 -14.600 6.765 -12.592 25 HG1 THR 4 HG1 THR 4 -16.150 4.513 -13.293 26 1HG2 THR 4 1HG2 THR 4 -13.350 5.232 -14.046 27 2HG2 THR 4 2HG2 THR 4 -13.836 3.818 -13.084 28 3HG2 THR 4 3HG2 THR 4 -12.740 5.040 -12.388 29 H ASP 5 H ASP 5 -15.613 5.327 -8.542 30 HA ASP 5 HA ASP 5 -13.938 7.345 -7.460 31 1HB ASP 5 1HB ASP 5 -14.146 6.381 -5.336 32 2HB ASP 5 2HB ASP 5 -14.036 4.737 -5.922 33 H GLN 6 H GLN 6 -13.035 4.236 -8.774 34 HA GLN 6 HA GLN 6 -10.505 3.601 -7.674 35 1HB GLN 6 1HB GLN 6 -11.800 3.110 -10.324 36 2HB GLN 6 2HB GLN 6 -11.088 1.993 -9.175 37 1HG GLN 6 1HG GLN 6 -8.775 3.183 -10.063 38 2HG GLN 6 2HG GLN 6 -9.770 3.467 -11.474 39 1HE2 GLN 6 1HE2 GLN 6 -8.302 -0.293 -10.773 40 2HE2 GLN 6 2HE2 GLN 6 -7.976 1.136 -9.669 41 H GLN 7 H GLN 7 -10.512 5.113 -10.883 42 HA GLN 7 HA GLN 7 -7.951 6.631 -10.187 43 1HB GLN 7 1HB GLN 7 -7.800 5.178 -12.176 44 2HB GLN 7 2HB GLN 7 -7.608 6.875 -12.604 45 1HG GLN 7 1HG GLN 7 -10.429 6.239 -12.911 46 2HG GLN 7 2HG GLN 7 -9.284 6.778 -14.130 47 1HE2 GLN 7 1HE2 GLN 7 -10.680 3.159 -14.692 48 2HE2 GLN 7 2HE2 GLN 7 -11.491 4.691 -14.089 49 H ALA 8 H ALA 8 -10.845 7.397 -9.525 50 HA ALA 8 HA ALA 8 -11.329 9.922 -11.107 51 1HB ALA 8 1HB ALA 8 -13.376 10.146 -9.706 52 2HB ALA 8 2HB ALA 8 -13.277 8.543 -10.458 53 3HB ALA 8 3HB ALA 8 -12.899 8.738 -8.728 54 H GLU 9 H GLU 9 -10.805 9.034 -7.676 55 HA GLU 9 HA GLU 9 -10.277 11.870 -6.839 56 1HB GLU 9 1HB GLU 9 -9.979 10.949 -4.527 57 2HB GLU 9 2HB GLU 9 -11.537 10.583 -5.255 58 1HG GLU 9 1HG GLU 9 -11.065 8.253 -5.533 59 2HG GLU 9 2HG GLU 9 -9.322 8.470 -5.425 60 H ALA 10 H ALA 10 -8.470 8.924 -7.489 61 HA ALA 10 HA ALA 10 -5.924 9.615 -6.216 62 1HB ALA 10 1HB ALA 10 -4.964 7.763 -7.576 63 2HB ALA 10 2HB ALA 10 -6.494 7.283 -6.818 64 3HB ALA 10 3HB ALA 10 -6.447 7.673 -8.556 65 NH1 ARG 11 NH1 ARG 11 -8.791 13.112 -15.981 66 NH2 ARG 11 NH2 ARG 11 -9.919 11.144 -16.105 67 H ARG 11 H ARG 11 -7.295 10.201 -9.417 68 HA ARG 11 HA ARG 11 -4.788 11.221 -10.709 69 1HB ARG 11 1HB ARG 11 -6.307 10.210 -12.243 70 2HB ARG 11 2HB ARG 11 -7.707 11.016 -11.551 71 1HG ARG 11 1HG ARG 11 -7.335 13.052 -12.659 72 2HG ARG 11 2HG ARG 11 -5.595 12.799 -12.824 73 1HD ARG 11 1HD ARG 11 -6.472 12.511 -15.044 74 2HD ARG 11 2HD ARG 11 -6.112 10.873 -14.493 75 HE ARG 11 HE ARG 11 -8.665 10.665 -13.979 76 1HH1 ARG 11 1HH1 ARG 11 -10.035 10.187 -15.753 77 2HH1 ARG 11 2HH1 ARG 11 -10.472 11.600 -16.839 78 1HH2 ARG 11 1HH2 ARG 11 -8.004 13.635 -15.582 79 2HH2 ARG 11 2HH2 ARG 11 -9.468 13.452 -16.673 80 H ALA 12 H ALA 12 -7.892 12.669 -9.683 81 HA ALA 12 HA ALA 12 -7.361 15.470 -10.008 82 1HB ALA 12 1HB ALA 12 -9.035 15.889 -8.218 83 2HB ALA 12 2HB ALA 12 -9.585 14.621 -9.331 84 3HB ALA 12 3HB ALA 12 -8.972 14.181 -7.717 85 H PHE 13 H PHE 13 -6.274 13.227 -7.510 86 HA PHE 13 HA PHE 13 -5.250 15.139 -5.548 87 1HB PHE 13 1HB PHE 13 -4.350 12.239 -6.018 88 2HB PHE 13 2HB PHE 13 -5.774 12.695 -5.120 89 HD1 PHE 13 HD1 PHE 13 -5.559 13.367 -2.768 90 HD2 PHE 13 HD2 PHE 13 -2.011 13.017 -5.181 91 HE1 PHE 13 HE1 PHE 13 -4.156 13.541 -0.753 92 HE2 PHE 13 HE2 PHE 13 -0.628 13.188 -3.154 93 HZ PHE 13 HZ PHE 13 -1.693 13.453 -0.940 94 H LEU 14 H LEU 14 -3.397 12.990 -7.735 95 HA LEU 14 HA LEU 14 -0.847 14.465 -7.513 96 1HB LEU 14 1HB LEU 14 -1.433 12.662 -9.895 97 2HB LEU 14 2HB LEU 14 0.078 12.922 -9.051 98 HG LEU 14 HG LEU 14 -2.219 11.070 -8.336 99 1HD1 LEU 14 1HD1 LEU 14 -0.356 9.465 -7.906 100 2HD1 LEU 14 2HD1 LEU 14 -0.209 10.176 -9.523 101 3HD1 LEU 14 3HD1 LEU 14 0.850 10.742 -8.207 102 1HD2 LEU 14 1HD2 LEU 14 -0.261 12.153 -6.200 103 2HD2 LEU 14 2HD2 LEU 14 -2.023 12.407 -6.232 104 3HD2 LEU 14 3HD2 LEU 14 -1.375 10.779 -5.986 105 H SER 15 H SER 15 -0.349 16.300 -8.402 106 HA SER 15 HA SER 15 -2.052 17.711 -10.409 107 1HB SER 15 1HB SER 15 -0.464 18.620 -8.388 108 2HB SER 15 2HB SER 15 0.670 18.811 -9.727 109 HG SER 15 HG SER 15 -0.435 20.593 -9.866 110 H GLU 16 H GLU 16 -0.183 19.013 -11.959 111 HA GLU 16 HA GLU 16 0.412 16.994 -14.076 112 1HB GLU 16 1HB GLU 16 -0.540 19.219 -14.629 113 2HB GLU 16 2HB GLU 16 0.905 20.022 -14.045 114 1HG GLU 16 1HG GLU 16 1.675 18.017 -16.064 115 2HG GLU 16 2HG GLU 16 0.357 18.990 -16.694 116 H GLU 17 H GLU 17 2.172 18.955 -11.745 117 HA GLU 17 HA GLU 17 4.901 18.263 -12.827 118 1HB GLU 17 1HB GLU 17 4.388 19.735 -10.203 119 2HB GLU 17 2HB GLU 17 5.836 19.748 -11.192 120 1HG GLU 17 1HG GLU 17 3.441 20.747 -12.684 121 2HG GLU 17 2HG GLU 17 3.735 21.654 -11.211 122 H MET 18 H MET 18 2.738 17.423 -10.169 123 HA MET 18 HA MET 18 4.624 15.847 -8.538 124 1HB MET 18 1HB MET 18 1.574 16.027 -8.591 125 2HB MET 18 2HB MET 18 2.367 14.770 -7.658 126 1HG MET 18 1HG MET 18 3.149 17.715 -7.253 127 2HG MET 18 2HG MET 18 1.745 17.005 -6.438 128 1HE MET 18 1HE MET 18 2.136 14.280 -5.371 129 2HE MET 18 2HE MET 18 3.128 14.499 -3.899 130 3HE MET 18 3HE MET 18 1.832 15.670 -4.282 131 H ILE 19 H ILE 19 2.436 15.144 -11.217 132 HA ILE 19 HA ILE 19 2.505 12.200 -11.064 133 HB ILE 19 HB ILE 19 1.583 14.164 -13.180 134 1HG1 ILE 19 1HG1 ILE 19 0.196 13.260 -11.074 135 2HG1 ILE 19 2HG1 ILE 19 0.001 11.805 -12.027 136 1HG2 ILE 19 1HG2 ILE 19 0.959 12.307 -14.745 137 2HG2 ILE 19 2HG2 ILE 19 2.708 12.361 -14.533 138 3HG2 ILE 19 3HG2 ILE 19 1.760 11.117 -13.689 139 1HD1 ILE 19 1HD1 ILE 19 -1.172 13.009 -13.849 140 2HD1 ILE 19 2HD1 ILE 19 -1.949 13.330 -12.285 141 3HD1 ILE 19 3HD1 ILE 19 -0.906 14.569 -13.023 142 H ALA 20 H ALA 20 4.430 14.697 -12.661 143 HA ALA 20 HA ALA 20 6.001 13.101 -14.492 144 1HB ALA 20 1HB ALA 20 7.612 15.002 -14.501 145 2HB ALA 20 2HB ALA 20 5.935 15.572 -14.602 146 3HB ALA 20 3HB ALA 20 6.831 15.710 -13.068 147 H GLU 21 H GLU 21 6.334 13.692 -11.037 148 HA GLU 21 HA GLU 21 9.129 12.904 -10.654 149 1HB GLU 21 1HB GLU 21 8.260 12.439 -8.194 150 2HB GLU 21 2HB GLU 21 6.762 13.157 -8.754 151 1HG GLU 21 1HG GLU 21 8.456 15.138 -9.591 152 2HG GLU 21 2HG GLU 21 7.746 15.096 -7.986 153 H PHE 22 H PHE 22 6.062 11.156 -10.693 154 HA PHE 22 HA PHE 22 7.217 8.511 -9.852 155 1HB PHE 22 1HB PHE 22 4.401 9.088 -10.958 156 2HB PHE 22 2HB PHE 22 4.939 7.609 -10.211 157 HD1 PHE 22 HD1 PHE 22 6.087 7.975 -7.716 158 HD2 PHE 22 HD2 PHE 22 3.186 10.579 -9.541 159 HE1 PHE 22 HE1 PHE 22 5.447 8.832 -5.501 160 HE2 PHE 22 HE2 PHE 22 2.550 11.412 -7.314 161 HZ PHE 22 HZ PHE 22 3.673 10.540 -5.293 162 H LYS 23 H LYS 23 6.410 10.244 -12.791 163 HA LYS 23 HA LYS 23 6.145 8.285 -14.832 164 1HB LYS 23 1HB LYS 23 7.001 11.104 -14.763 165 2HB LYS 23 2HB LYS 23 7.963 10.228 -15.933 166 1HG LYS 23 1HG LYS 23 5.107 11.052 -16.061 167 2HG LYS 23 2HG LYS 23 5.327 9.365 -16.494 168 1HD LYS 23 1HD LYS 23 6.274 11.838 -17.947 169 2HD LYS 23 2HD LYS 23 7.389 10.467 -17.981 170 1HE LYS 23 1HE LYS 23 5.205 9.046 -18.665 171 2HE LYS 23 2HE LYS 23 4.543 10.624 -19.116 172 1HZ LYS 23 1HZ LYS 23 6.799 10.858 -20.374 173 2HZ LYS 23 2HZ LYS 23 5.596 9.938 -21.034 174 3HZ LYS 23 3HZ LYS 23 6.864 9.211 -20.264 175 H ALA 24 H ALA 24 9.107 9.394 -13.226 176 HA ALA 24 HA ALA 24 11.142 8.200 -14.900 177 1HB ALA 24 1HB ALA 24 12.635 8.340 -12.916 178 2HB ALA 24 2HB ALA 24 11.685 9.825 -13.113 179 3HB ALA 24 3HB ALA 24 11.243 8.647 -11.851 180 H ALA 25 H ALA 25 9.715 6.909 -11.876 181 HA ALA 25 HA ALA 25 11.028 4.284 -11.959 182 1HB ALA 25 1HB ALA 25 9.476 3.674 -10.114 183 2HB ALA 25 2HB ALA 25 10.195 5.273 -9.844 184 3HB ALA 25 3HB ALA 25 8.507 5.140 -10.399 185 H PHE 26 H PHE 26 8.127 5.567 -13.413 186 HA PHE 26 HA PHE 26 6.535 3.123 -13.742 187 1HB PHE 26 1HB PHE 26 5.381 5.208 -14.049 188 2HB PHE 26 2HB PHE 26 6.490 5.781 -15.266 189 HD1 PHE 26 HD1 PHE 26 3.292 4.365 -14.751 190 HD2 PHE 26 HD2 PHE 26 6.617 4.065 -17.464 191 HE1 PHE 26 HE1 PHE 26 1.796 3.501 -16.506 192 HE2 PHE 26 HE2 PHE 26 5.109 3.186 -19.201 193 HZ PHE 26 HZ PHE 26 2.704 2.885 -18.720 194 H ASP 27 H ASP 27 8.973 4.738 -15.772 195 HA ASP 27 HA ASP 27 8.853 2.886 -18.058 196 1HB ASP 27 1HB ASP 27 11.160 4.748 -17.250 197 2HB ASP 27 2HB ASP 27 11.069 3.858 -18.752 198 H MET 28 H MET 28 10.867 3.086 -15.143 199 HA MET 28 HA MET 28 12.785 1.003 -15.543 200 1HB MET 28 1HB MET 28 11.465 2.077 -13.039 201 2HB MET 28 2HB MET 28 13.148 2.104 -13.534 202 1HG MET 28 1HG MET 28 13.425 -0.312 -12.957 203 2HG MET 28 2HG MET 28 11.702 -0.442 -12.566 204 1HE MET 28 1HE MET 28 10.524 1.401 -10.747 205 2HE MET 28 2HE MET 28 11.518 2.393 -9.639 206 3HE MET 28 3HE MET 28 11.487 2.770 -11.387 207 H PHE 29 H PHE 29 9.574 0.633 -14.005 208 HA PHE 29 HA PHE 29 9.539 -2.282 -13.835 209 1HB PHE 29 1HB PHE 29 7.004 -2.071 -13.695 210 2HB PHE 29 2HB PHE 29 7.136 -0.371 -14.058 211 HD1 PHE 29 HD1 PHE 29 5.874 -1.492 -11.532 212 HD2 PHE 29 HD2 PHE 29 9.924 -0.238 -12.283 213 HE1 PHE 29 HE1 PHE 29 6.178 -0.996 -9.140 214 HE2 PHE 29 HE2 PHE 29 10.202 0.258 -9.889 215 HZ PHE 29 HZ PHE 29 8.340 -0.132 -8.314 216 H ASP 30 H ASP 30 8.681 0.008 -16.379 217 HA ASP 30 HA ASP 30 7.363 -1.803 -18.254 218 1HB ASP 30 1HB ASP 30 8.963 0.575 -19.284 219 2HB ASP 30 2HB ASP 30 7.572 0.862 -18.265 220 H ALA 31 H ALA 31 8.569 -1.864 -20.594 221 HA ALA 31 HA ALA 31 11.420 -2.896 -20.361 222 1HB ALA 31 1HB ALA 31 10.848 -5.118 -21.350 223 2HB ALA 31 2HB ALA 31 10.065 -4.876 -19.776 224 3HB ALA 31 3HB ALA 31 9.111 -4.736 -21.275 225 H ASP 32 H ASP 32 8.549 -2.621 -22.470 226 HA ASP 32 HA ASP 32 10.255 -2.160 -24.934 227 1HB ASP 32 1HB ASP 32 7.995 -2.179 -26.166 228 2HB ASP 32 2HB ASP 32 8.566 -3.683 -25.481 229 H GLY 33 H GLY 33 7.399 -0.616 -23.404 230 1HA GLY 33 1HA GLY 33 8.033 2.017 -22.917 231 2HA GLY 33 2HA GLY 33 8.138 2.046 -24.663 232 H GLY 34 H GLY 34 6.401 3.166 -25.300 233 1HA GLY 34 1HA GLY 34 4.072 3.406 -26.025 234 2HA GLY 34 2HA GLY 34 3.669 1.965 -25.081 235 H GLY 35 H GLY 35 2.889 2.132 -23.070 236 1HA GLY 35 1HA GLY 35 2.944 4.403 -21.211 237 2HA GLY 35 2HA GLY 35 1.549 4.614 -22.278 238 H ASP 36 H ASP 36 2.896 1.520 -21.234 239 HA ASP 36 HA ASP 36 0.946 0.863 -19.126 240 1HB ASP 36 1HB ASP 36 -0.745 0.931 -20.890 241 2HB ASP 36 2HB ASP 36 -0.545 -0.697 -20.286 242 H ILE 37 H ILE 37 1.190 -1.294 -18.392 243 HA ILE 37 HA ILE 37 3.796 -2.659 -19.253 244 HB ILE 37 HB ILE 37 2.765 -2.530 -16.386 245 1HG1 ILE 37 1HG1 ILE 37 5.319 -1.104 -17.314 246 2HG1 ILE 37 2HG1 ILE 37 3.767 -0.290 -17.358 247 1HG2 ILE 37 1HG2 ILE 37 4.855 -3.662 -15.734 248 2HG2 ILE 37 2HG2 ILE 37 4.002 -4.631 -16.944 249 3HG2 ILE 37 3HG2 ILE 37 5.427 -3.678 -17.420 250 1HD1 ILE 37 1HD1 ILE 37 5.088 -1.382 -14.802 251 2HD1 ILE 37 2HD1 ILE 37 4.894 0.318 -15.282 252 3HD1 ILE 37 3HD1 ILE 37 3.461 -0.652 -14.872 253 H SER 38 H SER 38 3.732 -4.709 -19.712 254 HA SER 38 HA SER 38 1.146 -6.256 -19.605 255 1HB SER 38 1HB SER 38 3.161 -6.213 -21.460 256 2HB SER 38 2HB SER 38 1.983 -7.517 -21.292 257 HG SER 38 HG SER 38 3.770 -8.594 -21.123 258 H THR 39 H THR 39 1.732 -8.744 -19.089 259 HA THR 39 HA THR 39 2.339 -8.829 -16.139 260 HB THR 39 HB THR 39 1.812 -11.460 -16.776 261 HG1 THR 39 HG1 THR 39 -0.076 -11.215 -18.140 262 1HG2 THR 39 1HG2 THR 39 -0.464 -11.130 -15.916 263 2HG2 THR 39 2HG2 THR 39 0.654 -10.125 -14.965 264 3HG2 THR 39 3HG2 THR 39 -0.386 -9.377 -16.206 265 H LYS 40 H LYS 40 3.690 -9.906 -19.211 266 HA LYS 40 HA LYS 40 5.803 -11.648 -18.171 267 1HB LYS 40 1HB LYS 40 5.633 -10.139 -20.832 268 2HB LYS 40 2HB LYS 40 4.985 -11.733 -20.543 269 1HG LYS 40 1HG LYS 40 7.252 -12.666 -20.402 270 2HG LYS 40 2HG LYS 40 7.973 -11.097 -20.157 271 1HD LYS 40 1HD LYS 40 7.225 -10.551 -22.653 272 2HD LYS 40 2HD LYS 40 8.624 -11.522 -22.297 273 1HE LYS 40 1HE LYS 40 7.851 -13.005 -23.785 274 2HE LYS 40 2HE LYS 40 6.786 -13.576 -22.507 275 1HZ LYS 40 1HZ LYS 40 4.983 -12.558 -23.497 276 2HZ LYS 40 2HZ LYS 40 5.881 -12.852 -24.851 277 3HZ LYS 40 3HZ LYS 40 5.855 -11.338 -24.190 278 H GLU 41 H GLU 41 5.757 -8.236 -19.245 279 HA GLU 41 HA GLU 41 8.595 -7.638 -18.799 280 1HB GLU 41 1HB GLU 41 8.179 -5.649 -19.706 281 2HB GLU 41 2HB GLU 41 6.955 -5.244 -18.523 282 1HG GLU 41 1HG GLU 41 6.444 -6.900 -21.075 283 2HG GLU 41 2HG GLU 41 5.231 -6.510 -19.874 284 H LEU 42 H LEU 42 5.666 -7.142 -16.833 285 HA LEU 42 HA LEU 42 6.870 -5.638 -14.626 286 1HB LEU 42 1HB LEU 42 4.520 -7.497 -14.108 287 2HB LEU 42 2HB LEU 42 4.295 -6.204 -15.266 288 HG LEU 42 HG LEU 42 4.506 -4.482 -13.642 289 1HD1 LEU 42 1HD1 LEU 42 2.946 -5.111 -11.781 290 2HD1 LEU 42 2HD1 LEU 42 2.377 -5.735 -13.336 291 3HD1 LEU 42 3HD1 LEU 42 3.153 -6.838 -12.172 292 1HD2 LEU 42 1HD2 LEU 42 5.779 -6.482 -11.653 293 2HD2 LEU 42 2HD2 LEU 42 6.640 -5.201 -12.541 294 3HD2 LEU 42 3HD2 LEU 42 5.422 -4.766 -11.328 295 H GLY 43 H GLY 43 6.495 -9.074 -15.323 296 1HA GLY 43 1HA GLY 43 6.989 -10.365 -12.823 297 2HA GLY 43 2HA GLY 43 7.515 -11.044 -14.367 298 H THR 44 H THR 44 9.246 -8.745 -14.987 299 HA THR 44 HA THR 44 11.755 -9.864 -13.999 300 HB THR 44 HB THR 44 11.044 -7.534 -15.747 301 HG1 THR 44 HG1 THR 44 12.499 -9.887 -15.780 302 1HG2 THR 44 1HG2 THR 44 13.407 -6.729 -15.889 303 2HG2 THR 44 2HG2 THR 44 12.706 -6.382 -14.295 304 3HG2 THR 44 3HG2 THR 44 13.849 -7.735 -14.488 305 H VAL 45 H VAL 45 10.253 -6.679 -13.369 306 HA VAL 45 HA VAL 45 12.176 -5.738 -11.391 307 HB VAL 45 HB VAL 45 9.540 -4.796 -12.374 308 1HG1 VAL 45 1HG1 VAL 45 11.981 -3.174 -11.416 309 2HG1 VAL 45 2HG1 VAL 45 11.844 -3.854 -13.042 310 3HG1 VAL 45 3HG1 VAL 45 10.670 -2.635 -12.498 311 1HG2 VAL 45 1HG2 VAL 45 8.970 -3.274 -10.552 312 2HG2 VAL 45 2HG2 VAL 45 9.066 -4.899 -9.835 313 3HG2 VAL 45 3HG2 VAL 45 10.397 -3.757 -9.599 314 H MET 46 H MET 46 9.264 -7.716 -11.192 315 HA MET 46 HA MET 46 8.878 -7.680 -8.277 316 1HB MET 46 1HB MET 46 7.853 -9.503 -10.495 317 2HB MET 46 2HB MET 46 7.669 -9.999 -8.823 318 1HG MET 46 1HG MET 46 6.760 -7.202 -9.109 319 2HG MET 46 2HG MET 46 5.958 -8.244 -10.296 320 1HE MET 46 1HE MET 46 4.045 -6.950 -8.293 321 2HE MET 46 2HE MET 46 3.874 -7.691 -6.675 322 3HE MET 46 3HE MET 46 5.316 -6.705 -7.054 323 NH1 ARG 47 NH1 ARG 47 16.558 -12.281 -13.928 324 NH2 ARG 47 NH2 ARG 47 15.054 -13.556 -15.058 325 H ARG 47 H ARG 47 10.728 -9.705 -10.506 326 HA ARG 47 HA ARG 47 11.483 -11.828 -8.574 327 1HB ARG 47 1HB ARG 47 11.425 -12.012 -11.161 328 2HB ARG 47 2HB ARG 47 12.709 -12.823 -10.275 329 1HG ARG 47 1HG ARG 47 13.742 -10.194 -10.917 330 2HG ARG 47 2HG ARG 47 12.939 -10.794 -12.368 331 1HD ARG 47 1HD ARG 47 15.546 -11.432 -11.742 332 2HD ARG 47 2HD ARG 47 14.744 -12.755 -10.909 333 HE ARG 47 HE ARG 47 13.565 -13.278 -13.198 334 1HH1 ARG 47 1HH1 ARG 47 16.774 -11.744 -13.080 335 2HH1 ARG 47 2HH1 ARG 47 17.170 -12.420 -14.740 336 1HH2 ARG 47 1HH2 ARG 47 14.125 -13.992 -15.076 337 2HH2 ARG 47 2HH2 ARG 47 15.771 -13.606 -15.790 338 H MET 48 H MET 48 12.855 -8.763 -9.627 339 HA MET 48 HA MET 48 15.559 -8.832 -8.710 340 1HB MET 48 1HB MET 48 13.583 -6.627 -9.091 341 2HB MET 48 2HB MET 48 14.776 -6.281 -7.853 342 1HG MET 48 1HG MET 48 16.317 -7.339 -10.032 343 2HG MET 48 2HG MET 48 15.107 -6.283 -10.779 344 1HE MET 48 1HE MET 48 14.508 -4.222 -8.236 345 2HE MET 48 2HE MET 48 15.621 -2.894 -8.677 346 3HE MET 48 3HE MET 48 14.636 -3.686 -9.941 347 H LEU 49 H LEU 49 12.567 -8.597 -6.862 348 HA LEU 49 HA LEU 49 13.400 -8.006 -4.199 349 1HB LEU 49 1HB LEU 49 11.605 -9.794 -3.482 350 2HB LEU 49 2HB LEU 49 11.303 -10.009 -5.193 351 HG LEU 49 HG LEU 49 10.506 -7.720 -5.468 352 1HD1 LEU 49 1HD1 LEU 49 11.266 -7.131 -2.538 353 2HD1 LEU 49 2HD1 LEU 49 12.221 -6.614 -3.940 354 3HD1 LEU 49 3HD1 LEU 49 10.568 -5.988 -3.714 355 1HD2 LEU 49 1HD2 LEU 49 8.509 -7.694 -4.032 356 2HD2 LEU 49 2HD2 LEU 49 8.882 -9.399 -4.384 357 3HD2 LEU 49 3HD2 LEU 49 9.301 -8.715 -2.806 358 H GLY 50 H GLY 50 12.809 -11.401 -5.076 359 1HA GLY 50 1HA GLY 50 15.410 -12.585 -4.742 360 2HA GLY 50 2HA GLY 50 14.782 -12.439 -3.096 361 H GLN 51 H GLN 51 13.076 -13.139 -6.141 362 HA GLN 51 HA GLN 51 12.695 -16.057 -5.472 363 1HB GLN 51 1HB GLN 51 10.754 -14.368 -4.440 364 2HB GLN 51 2HB GLN 51 10.070 -14.715 -6.017 365 1HG GLN 51 1HG GLN 51 9.118 -16.433 -4.786 366 2HG GLN 51 2HG GLN 51 10.516 -17.268 -5.424 367 1HE2 GLN 51 1HE2 GLN 51 11.572 -18.159 -2.140 368 2HE2 GLN 51 2HE2 GLN 51 11.613 -18.443 -3.952 369 H ASN 52 H ASN 52 11.022 -16.873 -7.287 370 HA ASN 52 HA ASN 52 11.490 -15.424 -9.910 371 1HB ASN 52 1HB ASN 52 13.147 -17.481 -9.311 372 2HB ASN 52 2HB ASN 52 11.839 -18.456 -9.945 373 1HD2 ASN 52 1HD2 ASN 52 14.362 -17.332 -12.650 374 2HD2 ASN 52 2HD2 ASN 52 14.608 -17.869 -10.913 375 HA PRO 53 HA PRO 53 6.871 -16.675 -9.528 376 1HB PRO 53 1HB PRO 53 5.712 -14.753 -10.218 377 2HB PRO 53 2HB PRO 53 6.688 -14.606 -11.687 378 1HG PRO 53 1HG PRO 53 7.716 -12.854 -10.600 379 2HG PRO 53 2HG PRO 53 7.257 -13.400 -8.971 380 1HD PRO 53 1HD PRO 53 9.483 -14.166 -8.819 381 2HD PRO 53 2HD PRO 53 9.754 -14.057 -10.583 382 H THR 54 H THR 54 5.370 -17.033 -11.576 383 HA THR 54 HA THR 54 6.916 -18.405 -13.829 384 HB THR 54 HB THR 54 5.863 -19.963 -11.930 385 HG1 THR 54 HG1 THR 54 5.424 -21.438 -13.797 386 1HG2 THR 54 1HG2 THR 54 3.675 -20.927 -12.563 387 2HG2 THR 54 2HG2 THR 54 3.479 -19.205 -12.160 388 3HG2 THR 54 3HG2 THR 54 3.473 -19.729 -13.864 389 H LYS 55 H LYS 55 5.443 -18.857 -15.698 390 HA LYS 55 HA LYS 55 4.438 -16.358 -16.746 391 1HB LYS 55 1HB LYS 55 3.340 -17.927 -18.576 392 2HB LYS 55 2HB LYS 55 4.107 -19.251 -17.723 393 1HG LYS 55 1HG LYS 55 5.333 -18.303 -19.759 394 2HG LYS 55 2HG LYS 55 5.684 -16.855 -18.833 395 1HD LYS 55 1HD LYS 55 6.469 -19.506 -17.539 396 2HD LYS 55 2HD LYS 55 7.345 -19.051 -18.993 397 1HE LYS 55 1HE LYS 55 7.873 -16.785 -17.903 398 2HE LYS 55 2HE LYS 55 7.180 -17.389 -16.401 399 1HZ LYS 55 1HZ LYS 55 9.713 -17.625 -16.867 400 2HZ LYS 55 2HZ LYS 55 9.299 -18.961 -17.746 401 3HZ LYS 55 3HZ LYS 55 8.928 -18.882 -16.138 402 H GLU 56 H GLU 56 2.584 -19.310 -15.916 403 HA GLU 56 HA GLU 56 -0.072 -18.125 -16.240 404 1HB GLU 56 1HB GLU 56 -0.786 -20.202 -14.787 405 2HB GLU 56 2HB GLU 56 0.893 -20.692 -14.903 406 1HG GLU 56 1HG GLU 56 -0.335 -19.975 -17.556 407 2HG GLU 56 2HG GLU 56 0.704 -21.323 -17.129 408 H GLU 57 H GLU 57 2.156 -18.450 -13.530 409 HA GLU 57 HA GLU 57 0.340 -17.858 -11.306 410 1HB GLU 57 1HB GLU 57 2.571 -17.077 -10.139 411 2HB GLU 57 2HB GLU 57 3.359 -17.711 -11.567 412 1HG GLU 57 1HG GLU 57 3.422 -19.732 -10.516 413 2HG GLU 57 2HG GLU 57 2.382 -19.164 -9.216 414 H LEU 58 H LEU 58 2.157 -15.858 -13.560 415 HA LEU 58 HA LEU 58 1.934 -13.306 -12.076 416 1HB LEU 58 1HB LEU 58 3.055 -14.228 -14.696 417 2HB LEU 58 2HB LEU 58 2.454 -12.583 -14.717 418 HG LEU 58 HG LEU 58 4.374 -13.530 -12.510 419 1HD1 LEU 58 1HD1 LEU 58 6.297 -12.628 -13.875 420 2HD1 LEU 58 2HD1 LEU 58 5.562 -14.037 -14.654 421 3HD1 LEU 58 3HD1 LEU 58 5.213 -12.403 -15.271 422 1HD2 LEU 58 1HD2 LEU 58 3.813 -10.730 -13.688 423 2HD2 LEU 58 2HD2 LEU 58 3.207 -11.353 -12.133 424 3HD2 LEU 58 3HD2 LEU 58 4.947 -11.104 -12.366 425 H ASP 59 H ASP 59 0.130 -14.971 -14.609 426 HA ASP 59 HA ASP 59 -1.633 -12.780 -15.440 427 1HB ASP 59 1HB ASP 59 -2.039 -15.810 -15.736 428 2HB ASP 59 2HB ASP 59 -1.276 -14.742 -16.891 429 H ALA 60 H ALA 60 -1.799 -15.247 -12.927 430 HA ALA 60 HA ALA 60 -4.542 -14.601 -11.965 431 1HB ALA 60 1HB ALA 60 -3.975 -16.075 -10.040 432 2HB ALA 60 2HB ALA 60 -3.568 -16.844 -11.586 433 3HB ALA 60 3HB ALA 60 -2.277 -16.161 -10.564 434 H ILE 61 H ILE 61 -1.254 -13.563 -11.259 435 HA ILE 61 HA ILE 61 -1.686 -12.233 -8.684 436 HB ILE 61 HB ILE 61 0.522 -12.290 -10.693 437 1HG1 ILE 61 1HG1 ILE 61 0.052 -13.166 -7.951 438 2HG1 ILE 61 2HG1 ILE 61 1.374 -13.570 -9.025 439 1HG2 ILE 61 1HG2 ILE 61 1.770 -10.338 -9.724 440 2HG2 ILE 61 2HG2 ILE 61 0.283 -9.799 -10.501 441 3HG2 ILE 61 3HG2 ILE 61 0.359 -9.907 -8.727 442 1HD1 ILE 61 1HD1 ILE 61 1.370 -11.148 -7.128 443 2HD1 ILE 61 2HD1 ILE 61 2.314 -12.645 -6.979 444 3HD1 ILE 61 3HD1 ILE 61 2.656 -11.515 -8.310 445 H ILE 62 H ILE 62 -1.976 -11.235 -12.063 446 HA ILE 62 HA ILE 62 -2.543 -8.349 -11.463 447 HB ILE 62 HB ILE 62 -2.425 -9.977 -14.025 448 1HG1 ILE 62 1HG1 ILE 62 -0.252 -9.173 -13.405 449 2HG1 ILE 62 2HG1 ILE 62 -0.858 -7.634 -12.831 450 1HG2 ILE 62 1HG2 ILE 62 -3.146 -7.988 -15.377 451 2HG2 ILE 62 2HG2 ILE 62 -4.459 -8.526 -14.333 452 3HG2 ILE 62 3HG2 ILE 62 -3.518 -7.085 -13.888 453 1HD1 ILE 62 1HD1 ILE 62 -1.268 -6.800 -15.131 454 2HD1 ILE 62 2HD1 ILE 62 0.403 -7.378 -14.962 455 3HD1 ILE 62 3HD1 ILE 62 -0.795 -8.381 -15.813 456 H GLU 63 H GLU 63 -4.315 -11.271 -12.458 457 HA GLU 63 HA GLU 63 -6.982 -10.330 -12.754 458 1HB GLU 63 1HB GLU 63 -6.059 -12.751 -12.981 459 2HB GLU 63 2HB GLU 63 -6.398 -12.940 -11.272 460 1HG GLU 63 1HG GLU 63 -8.815 -12.614 -11.627 461 2HG GLU 63 2HG GLU 63 -8.569 -12.066 -13.277 462 H GLU 64 H GLU 64 -5.105 -10.859 -9.818 463 HA GLU 64 HA GLU 64 -7.197 -10.487 -7.814 464 1HB GLU 64 1HB GLU 64 -4.902 -9.575 -6.532 465 2HB GLU 64 2HB GLU 64 -4.211 -10.560 -7.805 466 1HG GLU 64 1HG GLU 64 -5.973 -12.412 -6.958 467 2HG GLU 64 2HG GLU 64 -4.437 -12.174 -6.143 468 H VAL 65 H VAL 65 -4.708 -8.201 -9.005 469 HA VAL 65 HA VAL 65 -6.420 -5.839 -8.077 470 HB VAL 65 HB VAL 65 -4.271 -5.845 -6.963 471 1HG1 VAL 65 1HG1 VAL 65 -2.077 -5.643 -8.146 472 2HG1 VAL 65 2HG1 VAL 65 -2.887 -7.161 -8.576 473 3HG1 VAL 65 3HG1 VAL 65 -2.881 -5.803 -9.727 474 1HG2 VAL 65 1HG2 VAL 65 -4.313 -3.586 -9.082 475 2HG2 VAL 65 2HG2 VAL 65 -5.154 -3.573 -7.513 476 3HG2 VAL 65 3HG2 VAL 65 -3.385 -3.572 -7.562 477 H ASP 66 H ASP 66 -7.614 -6.582 -10.099 478 HA ASP 66 HA ASP 66 -7.117 -4.644 -12.291 479 1HB ASP 66 1HB ASP 66 -6.756 -7.574 -13.128 480 2HB ASP 66 2HB ASP 66 -5.411 -6.508 -12.789 481 H GLU 67 H GLU 67 -9.179 -4.816 -10.689 482 HA GLU 67 HA GLU 67 -11.411 -6.534 -11.760 483 1HB GLU 67 1HB GLU 67 -10.903 -5.859 -9.249 484 2HB GLU 67 2HB GLU 67 -11.772 -4.383 -9.629 485 1HG GLU 67 1HG GLU 67 -13.747 -5.926 -10.427 486 2HG GLU 67 2HG GLU 67 -13.451 -5.776 -8.703 487 H ASP 68 H ASP 68 -10.136 -4.420 -13.450 488 HA ASP 68 HA ASP 68 -12.456 -2.468 -13.865 489 1HB ASP 68 1HB ASP 68 -9.988 -1.605 -13.400 490 2HB ASP 68 2HB ASP 68 -11.051 -0.790 -14.523 491 H GLY 69 H GLY 69 -10.233 -4.765 -15.387 492 1HA GLY 69 1HA GLY 69 -12.195 -5.159 -17.701 493 2HA GLY 69 2HA GLY 69 -10.998 -6.347 -17.165 494 H SER 70 H SER 70 -9.045 -6.403 -18.047 495 HA SER 70 HA SER 70 -8.411 -5.064 -20.578 496 1HB SER 70 1HB SER 70 -7.817 -3.019 -19.811 497 2HB SER 70 2HB SER 70 -6.298 -3.801 -19.366 498 HG SER 70 HG SER 70 -7.699 -2.554 -17.767 499 H GLY 71 H GLY 71 -6.090 -5.499 -17.937 500 1HA GLY 71 1HA GLY 71 -5.099 -8.000 -17.707 501 2HA GLY 71 2HA GLY 71 -4.798 -7.834 -19.442 502 H THR 72 H THR 72 -4.193 -4.990 -19.301 503 HA THR 72 HA THR 72 -1.306 -5.141 -18.379 504 HB THR 72 HB THR 72 -0.981 -2.976 -19.595 505 HG1 THR 72 HG1 THR 72 -3.385 -2.609 -19.440 506 1HG2 THR 72 1HG2 THR 72 -1.079 -3.818 -21.905 507 2HG2 THR 72 2HG2 THR 72 -0.491 -5.118 -20.845 508 3HG2 THR 72 3HG2 THR 72 -2.169 -5.146 -21.448 509 H ILE 73 H ILE 73 -0.691 -2.613 -17.752 510 HA ILE 73 HA ILE 73 -2.571 -1.621 -15.569 511 HB ILE 73 HB ILE 73 0.307 -2.512 -15.052 512 1HG1 ILE 73 1HG1 ILE 73 -0.569 -4.329 -13.999 513 2HG1 ILE 73 2HG1 ILE 73 -2.114 -3.923 -14.716 514 1HG2 ILE 73 1HG2 ILE 73 0.187 -1.476 -12.789 515 2HG2 ILE 73 2HG2 ILE 73 -0.044 -0.228 -14.022 516 3HG2 ILE 73 3HG2 ILE 73 -1.445 -0.844 -13.112 517 1HD1 ILE 73 1HD1 ILE 73 -2.848 -2.667 -12.707 518 2HD1 ILE 73 2HD1 ILE 73 -2.332 -4.310 -12.273 519 3HD1 ILE 73 3HD1 ILE 73 -1.260 -2.930 -11.934 520 H ASP 74 H ASP 74 -2.886 -0.051 -17.241 521 HA ASP 74 HA ASP 74 -0.824 1.650 -18.428 522 1HB ASP 74 1HB ASP 74 -2.501 2.922 -19.370 523 2HB ASP 74 2HB ASP 74 -3.490 2.941 -17.929 524 H PHE 75 H PHE 75 -0.733 4.060 -17.941 525 HA PHE 75 HA PHE 75 0.457 4.467 -15.281 526 1HB PHE 75 1HB PHE 75 1.019 5.729 -17.484 527 2HB PHE 75 2HB PHE 75 -0.410 6.691 -17.218 528 HD1 PHE 75 HD1 PHE 75 1.628 8.459 -17.353 529 HD2 PHE 75 HD2 PHE 75 0.924 5.872 -13.987 530 HE1 PHE 75 HE1 PHE 75 2.917 9.974 -15.905 531 HE2 PHE 75 HE2 PHE 75 2.208 7.408 -12.553 532 HZ PHE 75 HZ PHE 75 3.206 9.456 -13.506 533 H GLU 76 H GLU 76 -2.693 5.083 -16.723 534 HA GLU 76 HA GLU 76 -3.851 6.949 -14.849 535 1HB GLU 76 1HB GLU 76 -5.794 6.742 -15.964 536 2HB GLU 76 2HB GLU 76 -4.758 5.967 -17.144 537 1HG GLU 76 1HG GLU 76 -5.477 3.685 -16.226 538 2HG GLU 76 2HG GLU 76 -6.556 4.509 -15.119 539 H GLU 77 H GLU 77 -4.310 3.402 -14.942 540 HA GLU 77 HA GLU 77 -5.633 3.207 -12.310 541 1HB GLU 77 1HB GLU 77 -6.154 1.151 -12.953 542 2HB GLU 77 2HB GLU 77 -5.370 1.494 -14.477 543 1HG GLU 77 1HG GLU 77 -3.151 0.605 -13.267 544 2HG GLU 77 2HG GLU 77 -4.266 -0.105 -12.106 545 H PHE 78 H PHE 78 -2.308 3.095 -13.386 546 HA PHE 78 HA PHE 78 -1.002 1.741 -11.169 547 1HB PHE 78 1HB PHE 78 0.133 4.053 -12.863 548 2HB PHE 78 2HB PHE 78 0.114 2.384 -13.370 549 HD1 PHE 78 HD1 PHE 78 2.655 3.991 -13.172 550 HD2 PHE 78 HD2 PHE 78 0.698 1.645 -10.142 551 HE1 PHE 78 HE1 PHE 78 4.805 3.666 -12.019 552 HE2 PHE 78 HE2 PHE 78 2.857 1.332 -9.003 553 HZ PHE 78 HZ PHE 78 4.910 2.346 -9.931 554 H LEU 79 H LEU 79 -2.225 5.009 -11.596 555 HA LEU 79 HA LEU 79 -0.980 6.184 -9.157 556 1HB LEU 79 1HB LEU 79 -3.250 7.206 -10.963 557 2HB LEU 79 2HB LEU 79 -2.644 8.100 -9.586 558 HG LEU 79 HG LEU 79 -1.283 7.553 -12.255 559 1HD1 LEU 79 1HD1 LEU 79 -0.816 10.003 -12.153 560 2HD1 LEU 79 2HD1 LEU 79 -2.547 9.688 -11.935 561 3HD1 LEU 79 3HD1 LEU 79 -1.538 10.101 -10.526 562 1HD2 LEU 79 1HD2 LEU 79 0.279 8.300 -9.690 563 2HD2 LEU 79 2HD2 LEU 79 0.461 6.798 -10.630 564 3HD2 LEU 79 3HD2 LEU 79 0.927 8.346 -11.349 565 H VAL 80 H VAL 80 -4.032 4.651 -10.006 566 HA VAL 80 HA VAL 80 -5.608 5.277 -7.642 567 HB VAL 80 HB VAL 80 -5.875 2.663 -9.202 568 1HG1 VAL 80 1HG1 VAL 80 -8.298 2.848 -8.601 569 2HG1 VAL 80 2HG1 VAL 80 -7.295 2.778 -7.146 570 3HG1 VAL 80 3HG1 VAL 80 -7.974 4.336 -7.673 571 1HG2 VAL 80 1HG2 VAL 80 -7.150 5.373 -9.964 572 2HG2 VAL 80 2HG2 VAL 80 -5.870 4.547 -10.883 573 3HG2 VAL 80 3HG2 VAL 80 -7.469 3.801 -10.738 574 H MET 81 H MET 81 -3.131 2.860 -8.306 575 HA MET 81 HA MET 81 -3.363 1.109 -6.013 576 1HB MET 81 1HB MET 81 -0.735 0.897 -6.288 577 2HB MET 81 2HB MET 81 -0.950 1.915 -7.700 578 1HG MET 81 1HG MET 81 -2.182 0.258 -8.906 579 2HG MET 81 2HG MET 81 -2.660 -0.610 -7.437 580 1HE MET 81 1HE MET 81 -1.761 -2.461 -9.545 581 2HE MET 81 2HE MET 81 -0.384 -3.393 -8.886 582 3HE MET 81 3HE MET 81 -1.812 -3.072 -7.861 583 H MET 82 H MET 82 -0.929 3.706 -6.341 584 HA MET 82 HA MET 82 -0.036 3.770 -3.611 585 1HB MET 82 1HB MET 82 0.937 4.963 -5.739 586 2HB MET 82 2HB MET 82 1.227 5.633 -4.144 587 1HG MET 82 1HG MET 82 -0.942 7.137 -4.671 588 2HG MET 82 2HG MET 82 -0.623 6.671 -6.347 589 1HE MET 82 1HE MET 82 2.187 7.608 -3.310 590 2HE MET 82 2HE MET 82 0.564 8.339 -3.137 591 3HE MET 82 3HE MET 82 1.955 9.363 -3.595 592 H VAL 83 H VAL 83 -2.669 5.573 -5.180 593 HA VAL 83 HA VAL 83 -3.290 7.465 -3.054 594 HB VAL 83 HB VAL 83 -5.039 6.397 -5.317 595 1HG1 VAL 83 1HG1 VAL 83 -3.843 9.214 -4.953 596 2HG1 VAL 83 2HG1 VAL 83 -3.044 7.936 -5.879 597 3HG1 VAL 83 3HG1 VAL 83 -4.633 8.541 -6.402 598 1HG2 VAL 83 1HG2 VAL 83 -6.751 8.076 -4.852 599 2HG2 VAL 83 2HG2 VAL 83 -6.519 7.166 -3.341 600 3HG2 VAL 83 3HG2 VAL 83 -5.809 8.778 -3.512 601 NH1 ARG 84 NH1 ARG 84 -8.435 -1.218 -2.873 602 NH2 ARG 84 NH2 ARG 84 -9.935 -1.541 -4.548 603 H ARG 84 H ARG 84 -4.403 4.167 -3.744 604 HA ARG 84 HA ARG 84 -6.604 3.934 -1.827 605 1HB ARG 84 1HB ARG 84 -5.070 2.094 -3.557 606 2HB ARG 84 2HB ARG 84 -5.383 1.365 -1.989 607 1HG ARG 84 1HG ARG 84 -7.763 2.743 -3.217 608 2HG ARG 84 2HG ARG 84 -7.685 1.245 -2.287 609 1HD ARG 84 1HD ARG 84 -6.473 0.198 -4.385 610 2HD ARG 84 2HD ARG 84 -7.007 1.626 -5.274 611 HE ARG 84 HE ARG 84 -9.304 0.798 -5.163 612 1HH1 ARG 84 1HH1 ARG 84 -7.677 -0.644 -2.487 613 2HH1 ARG 84 2HH1 ARG 84 -8.822 -2.079 -2.470 614 1HH2 ARG 84 1HH2 ARG 84 -10.370 -1.179 -5.404 615 2HH2 ARG 84 2HH2 ARG 84 -10.175 -2.410 -4.057 616 H GLN 85 H GLN 85 -3.102 3.593 -1.539 617 HA GLN 85 HA GLN 85 -3.153 2.445 1.232 618 1HB GLN 85 1HB GLN 85 -0.798 3.426 -0.485 619 2HB GLN 85 2HB GLN 85 -0.642 2.681 1.095 620 1HG GLN 85 1HG GLN 85 -2.275 0.878 -0.464 621 2HG GLN 85 2HG GLN 85 -0.991 1.405 -1.530 622 1HE2 GLN 85 1HE2 GLN 85 0.113 -0.710 1.898 623 2HE2 GLN 85 2HE2 GLN 85 -1.263 0.502 1.963 624 H MET 86 H MET 86 -2.843 5.584 -0.301 625 HA MET 86 HA MET 86 -1.509 7.227 1.603 626 1HB MET 86 1HB MET 86 -2.148 8.962 0.316 627 2HB MET 86 2HB MET 86 -2.807 7.734 -0.749 628 1HG MET 86 1HG MET 86 -5.072 7.997 0.027 629 2HG MET 86 2HG MET 86 -4.583 8.919 1.455 630 1HE MET 86 1HE MET 86 -3.733 9.072 -2.514 631 2HE MET 86 2HE MET 86 -3.400 10.824 -2.640 632 3HE MET 86 3HE MET 86 -2.357 9.790 -1.620 633 H LYS 87 H LYS 87 -4.834 6.041 1.610 634 HA LYS 87 HA LYS 87 -6.169 7.421 3.681 635 1HB LYS 87 1HB LYS 87 -6.191 4.372 3.237 636 2HB LYS 87 2HB LYS 87 -7.248 5.201 4.371 637 1HG LYS 87 1HG LYS 87 -7.314 5.249 1.342 638 2HG LYS 87 2HG LYS 87 -8.631 4.990 2.474 639 1HD LYS 87 1HD LYS 87 -8.201 7.565 3.125 640 2HD LYS 87 2HD LYS 87 -7.318 7.603 1.603 641 1HE LYS 87 1HE LYS 87 -10.324 7.217 2.034 642 2HE LYS 87 2HE LYS 87 -9.492 8.321 0.930 643 1HZ LYS 87 1HZ LYS 87 -10.493 6.451 -0.238 644 2HZ LYS 87 2HZ LYS 87 -9.587 5.361 0.611 645 3HZ LYS 87 3HZ LYS 87 -8.852 6.414 -0.429 646 H GLU 88 H GLU 88 -5.028 8.189 5.344 647 HA GLU 88 HA GLU 88 -3.382 6.312 7.108 648 1HB GLU 88 1HB GLU 88 -2.270 8.390 6.176 649 2HB GLU 88 2HB GLU 88 -2.141 8.150 7.908 650 1HG GLU 88 1HG GLU 88 -3.762 10.250 6.382 651 2HG GLU 88 2HG GLU 88 -4.275 9.804 8.001 652 H ASP 89 H ASP 89 -6.131 8.503 6.957 653 HA ASP 89 HA ASP 89 -6.760 8.139 9.920 654 1HB ASP 89 1HB ASP 89 -8.041 10.135 7.967 655 2HB ASP 89 2HB ASP 89 -6.676 10.495 8.997 656 H ALA 90 H ALA 90 -7.236 5.886 9.303 657 HA ALA 90 HA ALA 90 -10.168 5.480 8.585 658 1HB ALA 90 1HB ALA 90 -9.637 3.663 6.939 659 2HB ALA 90 2HB ALA 90 -8.983 5.219 6.389 660 3HB ALA 90 3HB ALA 90 -7.893 3.997 7.088 Start of MODEL 10 Raw file had 660 H/Q atoms Start of MODEL 10 1 1H ALA 1 1H ALA 1 -23.673 6.728 -15.580 2 2H ALA 1 2H ALA 1 -23.693 7.604 -14.145 3 3H ALA 1 3H ALA 1 -23.068 8.297 -15.545 4 HA ALA 1 HA ALA 1 -21.171 7.069 -15.551 5 1HB ALA 1 1HB ALA 1 -20.652 8.562 -13.849 6 2HB ALA 1 2HB ALA 1 -20.545 7.074 -12.889 7 3HB ALA 1 3HB ALA 1 -22.015 8.079 -12.812 8 H SER 2 H SER 2 -19.963 5.219 -14.771 9 HA SER 2 HA SER 2 -21.123 3.062 -13.105 10 1HB SER 2 1HB SER 2 -21.146 1.374 -15.170 11 2HB SER 2 2HB SER 2 -22.570 2.324 -14.737 12 HG SER 2 HG SER 2 -22.172 3.706 -16.362 13 H MET 3 H MET 3 -18.932 3.815 -15.816 14 HA MET 3 HA MET 3 -16.643 2.348 -14.396 15 1HB MET 3 1HB MET 3 -17.556 2.105 -17.295 16 2HB MET 3 2HB MET 3 -15.868 1.850 -16.894 17 1HG MET 3 1HG MET 3 -16.329 -0.116 -15.597 18 2HG MET 3 2HG MET 3 -18.020 0.329 -15.334 19 1HE MET 3 1HE MET 3 -18.730 -2.774 -17.207 20 2HE MET 3 2HE MET 3 -19.917 -1.443 -17.084 21 3HE MET 3 3HE MET 3 -18.808 -1.774 -15.722 22 H THR 4 H THR 4 -14.519 2.982 -15.598 23 HA THR 4 HA THR 4 -12.868 4.624 -16.044 24 HB THR 4 HB THR 4 -14.790 5.233 -17.819 25 HG1 THR 4 HG1 THR 4 -13.023 5.643 -18.697 26 1HG2 THR 4 1HG2 THR 4 -14.188 8.069 -17.030 27 2HG2 THR 4 2HG2 THR 4 -15.473 7.285 -16.084 28 3HG2 THR 4 3HG2 THR 4 -15.610 7.397 -17.858 29 H ASP 5 H ASP 5 -14.929 4.631 -13.584 30 HA ASP 5 HA ASP 5 -14.267 7.289 -12.325 31 1HB ASP 5 1HB ASP 5 -16.394 6.716 -11.618 32 2HB ASP 5 2HB ASP 5 -15.434 6.179 -10.258 33 H GLN 6 H GLN 6 -12.044 5.667 -13.089 34 HA GLN 6 HA GLN 6 -10.963 4.243 -10.644 35 1HB GLN 6 1HB GLN 6 -10.152 4.418 -13.558 36 2HB GLN 6 2HB GLN 6 -8.881 4.131 -12.384 37 1HG GLN 6 1HG GLN 6 -10.390 2.151 -13.564 38 2HG GLN 6 2HG GLN 6 -11.336 2.378 -12.109 39 1HE2 GLN 6 1HE2 GLN 6 -7.935 0.195 -11.887 40 2HE2 GLN 6 2HE2 GLN 6 -8.616 0.862 -13.455 41 H GLN 7 H GLN 7 -10.061 6.950 -12.799 42 HA GLN 7 HA GLN 7 -7.940 7.941 -10.854 43 1HB GLN 7 1HB GLN 7 -7.044 9.255 -12.608 44 2HB GLN 7 2HB GLN 7 -7.525 7.749 -13.384 45 1HG GLN 7 1HG GLN 7 -9.711 9.760 -13.498 46 2HG GLN 7 2HG GLN 7 -8.232 10.370 -14.225 47 1HE2 GLN 7 1HE2 GLN 7 -10.363 8.277 -16.695 48 2HE2 GLN 7 2HE2 GLN 7 -10.776 9.599 -15.491 49 H ALA 8 H ALA 8 -10.974 8.154 -10.487 50 HA ALA 8 HA ALA 8 -11.713 11.018 -10.675 51 1HB ALA 8 1HB ALA 8 -13.727 10.362 -9.367 52 2HB ALA 8 2HB ALA 8 -13.440 9.246 -10.716 53 3HB ALA 8 3HB ALA 8 -13.038 8.751 -9.052 54 H GLU 9 H GLU 9 -10.776 8.850 -7.992 55 HA GLU 9 HA GLU 9 -10.703 11.046 -5.948 56 1HB GLU 9 1HB GLU 9 -9.465 8.354 -5.311 57 2HB GLU 9 2HB GLU 9 -10.398 9.444 -4.296 58 1HG GLU 9 1HG GLU 9 -11.520 7.518 -6.417 59 2HG GLU 9 2HG GLU 9 -11.756 7.460 -4.674 60 H ALA 10 H ALA 10 -8.417 9.131 -7.848 61 HA ALA 10 HA ALA 10 -5.947 9.999 -6.464 62 1HB ALA 10 1HB ALA 10 -4.759 8.889 -8.349 63 2HB ALA 10 2HB ALA 10 -6.046 7.855 -7.702 64 3HB ALA 10 3HB ALA 10 -6.285 8.708 -9.248 65 NH1 ARG 11 NH1 ARG 11 -9.197 15.786 -15.510 66 NH2 ARG 11 NH2 ARG 11 -7.243 16.926 -15.711 67 H ARG 11 H ARG 11 -7.901 11.232 -9.095 68 HA ARG 11 HA ARG 11 -5.924 12.970 -10.440 69 1HB ARG 11 1HB ARG 11 -8.625 12.205 -10.926 70 2HB ARG 11 2HB ARG 11 -8.720 13.932 -10.611 71 1HG ARG 11 1HG ARG 11 -6.454 13.549 -12.381 72 2HG ARG 11 2HG ARG 11 -7.794 12.602 -13.033 73 1HD ARG 11 1HD ARG 11 -9.233 14.511 -13.262 74 2HD ARG 11 2HD ARG 11 -8.303 15.497 -12.133 75 HE ARG 11 HE ARG 11 -6.418 15.141 -14.146 76 1HH1 ARG 11 1HH1 ARG 11 -6.297 17.097 -15.351 77 2HH1 ARG 11 2HH1 ARG 11 -7.690 17.390 -16.510 78 1HH2 ARG 11 1HH2 ARG 11 -9.742 15.082 -15.001 79 2HH2 ARG 11 2HH2 ARG 11 -9.507 16.336 -16.319 80 H ALA 12 H ALA 12 -8.393 13.500 -7.931 81 HA ALA 12 HA ALA 12 -7.976 16.427 -7.647 82 1HB ALA 12 1HB ALA 12 -9.438 16.238 -5.645 83 2HB ALA 12 2HB ALA 12 -10.138 15.385 -7.035 84 3HB ALA 12 3HB ALA 12 -9.367 14.461 -5.722 85 H PHE 13 H PHE 13 -6.589 13.525 -6.232 86 HA PHE 13 HA PHE 13 -5.315 14.769 -3.888 87 1HB PHE 13 1HB PHE 13 -5.242 12.064 -5.222 88 2HB PHE 13 2HB PHE 13 -5.690 12.491 -3.591 89 HD1 PHE 13 HD1 PHE 13 -3.094 14.117 -2.884 90 HD2 PHE 13 HD2 PHE 13 -3.647 10.320 -4.835 91 HE1 PHE 13 HE1 PHE 13 -0.882 13.377 -2.097 92 HE2 PHE 13 HE2 PHE 13 -1.435 9.598 -4.036 93 HZ PHE 13 HZ PHE 13 -0.051 11.120 -2.667 94 H LEU 14 H LEU 14 -4.247 13.916 -7.167 95 HA LEU 14 HA LEU 14 -1.473 15.136 -6.676 96 1HB LEU 14 1HB LEU 14 -2.097 13.424 -9.113 97 2HB LEU 14 2HB LEU 14 -0.557 13.729 -8.339 98 HG LEU 14 HG LEU 14 -2.775 12.002 -7.077 99 1HD1 LEU 14 1HD1 LEU 14 0.196 12.223 -6.285 100 2HD1 LEU 14 2HD1 LEU 14 -1.125 13.057 -5.447 101 3HD1 LEU 14 3HD1 LEU 14 -1.066 11.277 -5.456 102 1HD2 LEU 14 1HD2 LEU 14 -1.527 10.002 -7.784 103 2HD2 LEU 14 2HD2 LEU 14 -1.805 10.992 -9.238 104 3HD2 LEU 14 3HD2 LEU 14 -0.211 10.990 -8.468 105 H SER 15 H SER 15 -0.576 15.977 -8.868 106 HA SER 15 HA SER 15 -2.677 17.675 -10.327 107 1HB SER 15 1HB SER 15 -1.407 19.626 -10.164 108 2HB SER 15 2HB SER 15 0.118 18.777 -9.898 109 HG SER 15 HG SER 15 -0.593 19.658 -8.002 110 H GLU 16 H GLU 16 -0.746 18.852 -12.053 111 HA GLU 16 HA GLU 16 -0.455 16.657 -14.088 112 1HB GLU 16 1HB GLU 16 -0.076 19.687 -14.255 113 2HB GLU 16 2HB GLU 16 -1.423 18.740 -14.856 114 1HG GLU 16 1HG GLU 16 1.446 18.441 -15.954 115 2HG GLU 16 2HG GLU 16 0.297 19.603 -16.595 116 H GLU 17 H GLU 17 1.556 18.843 -12.176 117 HA GLU 17 HA GLU 17 4.143 17.976 -13.448 118 1HB GLU 17 1HB GLU 17 3.517 19.958 -11.211 119 2HB GLU 17 2HB GLU 17 5.164 19.478 -11.572 120 1HG GLU 17 1HG GLU 17 3.677 20.333 -14.025 121 2HG GLU 17 2HG GLU 17 5.273 20.799 -13.462 122 H MET 18 H MET 18 2.329 17.496 -10.449 123 HA MET 18 HA MET 18 4.376 16.105 -8.857 124 1HB MET 18 1HB MET 18 2.607 15.418 -7.347 125 2HB MET 18 2HB MET 18 1.366 15.634 -8.567 126 1HG MET 18 1HG MET 18 1.400 18.030 -8.401 127 2HG MET 18 2HG MET 18 3.005 18.057 -7.652 128 1HE MET 18 1HE MET 18 1.612 19.834 -5.947 129 2HE MET 18 2HE MET 18 1.561 19.092 -4.320 130 3HE MET 18 3HE MET 18 3.041 18.956 -5.315 131 H ILE 19 H ILE 19 1.987 15.101 -11.251 132 HA ILE 19 HA ILE 19 2.013 12.222 -10.843 133 HB ILE 19 HB ILE 19 0.859 14.030 -12.786 134 1HG1 ILE 19 1HG1 ILE 19 0.276 11.231 -11.718 135 2HG1 ILE 19 2HG1 ILE 19 -0.548 11.731 -13.180 136 1HG2 ILE 19 1HG2 ILE 19 0.894 12.631 -14.866 137 2HG2 ILE 19 2HG2 ILE 19 2.526 13.160 -14.462 138 3HG2 ILE 19 3HG2 ILE 19 2.030 11.489 -14.107 139 1HD1 ILE 19 1HD1 ILE 19 -1.609 13.673 -12.062 140 2HD1 ILE 19 2HD1 ILE 19 -1.930 12.179 -11.158 141 3HD1 ILE 19 3HD1 ILE 19 -0.712 13.329 -10.558 142 H ALA 20 H ALA 20 4.105 14.427 -12.647 143 HA ALA 20 HA ALA 20 5.639 12.759 -14.333 144 1HB ALA 20 1HB ALA 20 7.495 14.406 -14.113 145 2HB ALA 20 2HB ALA 20 5.923 15.217 -14.255 146 3HB ALA 20 3HB ALA 20 6.733 15.118 -12.671 147 H GLU 21 H GLU 21 6.045 13.239 -10.833 148 HA GLU 21 HA GLU 21 8.611 12.039 -10.364 149 1HB GLU 21 1HB GLU 21 6.366 11.613 -8.358 150 2HB GLU 21 2HB GLU 21 6.893 13.244 -8.724 151 1HG GLU 21 1HG GLU 21 8.237 12.763 -6.870 152 2HG GLU 21 2HG GLU 21 8.323 11.045 -7.219 153 H PHE 22 H PHE 22 5.383 10.522 -10.397 154 HA PHE 22 HA PHE 22 6.410 7.747 -9.991 155 1HB PHE 22 1HB PHE 22 3.575 8.757 -10.654 156 2HB PHE 22 2HB PHE 22 3.978 7.086 -10.369 157 HD1 PHE 22 HD1 PHE 22 4.114 6.178 -8.142 158 HD2 PHE 22 HD2 PHE 22 3.997 10.448 -8.667 159 HE1 PHE 22 HE1 PHE 22 3.952 6.483 -5.707 160 HE2 PHE 22 HE2 PHE 22 3.832 10.732 -6.228 161 HZ PHE 22 HZ PHE 22 3.793 8.755 -4.746 162 H LYS 23 H LYS 23 5.674 9.818 -12.692 163 HA LYS 23 HA LYS 23 5.021 7.822 -14.769 164 1HB LYS 23 1HB LYS 23 4.341 9.999 -15.358 165 2HB LYS 23 2HB LYS 23 5.816 10.756 -14.796 166 1HG LYS 23 1HG LYS 23 6.123 8.918 -17.185 167 2HG LYS 23 2HG LYS 23 6.961 10.407 -16.781 168 1HD LYS 23 1HD LYS 23 5.687 11.345 -18.434 169 2HD LYS 23 2HD LYS 23 4.500 10.035 -18.413 170 1HE LYS 23 1HE LYS 23 4.562 12.193 -16.209 171 2HE LYS 23 2HE LYS 23 3.264 11.037 -16.538 172 1HZ LYS 23 1HZ LYS 23 3.355 12.245 -18.888 173 2HZ LYS 23 2HZ LYS 23 3.960 13.487 -17.983 174 3HZ LYS 23 3HZ LYS 23 2.475 12.856 -17.630 175 H ALA 24 H ALA 24 8.001 9.225 -13.506 176 HA ALA 24 HA ALA 24 9.855 8.464 -15.643 177 1HB ALA 24 1HB ALA 24 11.653 8.887 -13.977 178 2HB ALA 24 2HB ALA 24 10.439 10.179 -13.954 179 3HB ALA 24 3HB ALA 24 10.460 8.955 -12.659 180 H ALA 25 H ALA 25 8.971 6.901 -12.554 181 HA ALA 25 HA ALA 25 10.757 4.547 -12.880 182 1HB ALA 25 1HB ALA 25 9.649 3.694 -10.823 183 2HB ALA 25 2HB ALA 25 10.153 5.383 -10.627 184 3HB ALA 25 3HB ALA 25 8.435 4.994 -10.898 185 H PHE 26 H PHE 26 7.423 5.336 -13.634 186 HA PHE 26 HA PHE 26 6.163 2.766 -13.888 187 1HB PHE 26 1HB PHE 26 4.669 4.558 -14.137 188 2HB PHE 26 2HB PHE 26 5.660 5.418 -15.285 189 HD1 PHE 26 HD1 PHE 26 3.681 2.185 -14.967 190 HD2 PHE 26 HD2 PHE 26 5.099 5.255 -17.626 191 HE1 PHE 26 HE1 PHE 26 2.238 1.314 -16.760 192 HE2 PHE 26 HE2 PHE 26 3.658 4.362 -19.411 193 HZ PHE 26 HZ PHE 26 2.229 2.392 -18.984 194 H ASP 27 H ASP 27 8.176 4.565 -16.194 195 HA ASP 27 HA ASP 27 7.972 2.702 -18.463 196 1HB ASP 27 1HB ASP 27 10.284 4.658 -17.962 197 2HB ASP 27 2HB ASP 27 9.871 3.885 -19.475 198 H MET 28 H MET 28 10.162 3.024 -15.710 199 HA MET 28 HA MET 28 12.225 1.112 -16.375 200 1HB MET 28 1HB MET 28 11.284 1.160 -13.492 201 2HB MET 28 2HB MET 28 11.857 2.666 -14.186 202 1HG MET 28 1HG MET 28 13.960 1.090 -14.962 203 2HG MET 28 2HG MET 28 13.425 0.150 -13.560 204 1HE MET 28 1HE MET 28 12.303 2.012 -11.392 205 2HE MET 28 2HE MET 28 13.071 3.611 -11.161 206 3HE MET 28 3HE MET 28 11.985 3.338 -12.555 207 H PHE 29 H PHE 29 9.005 0.662 -14.958 208 HA PHE 29 HA PHE 29 9.261 -2.250 -14.432 209 1HB PHE 29 1HB PHE 29 6.681 -2.140 -14.210 210 2HB PHE 29 2HB PHE 29 6.784 -0.433 -14.547 211 HD1 PHE 29 HD1 PHE 29 9.630 -0.239 -12.939 212 HD2 PHE 29 HD2 PHE 29 5.684 -1.658 -11.964 213 HE1 PHE 29 HE1 PHE 29 10.048 0.201 -10.554 214 HE2 PHE 29 HE2 PHE 29 6.127 -1.217 -9.584 215 HZ PHE 29 HZ PHE 29 8.310 -0.309 -8.873 216 H ASP 30 H ASP 30 8.037 -0.206 -17.042 217 HA ASP 30 HA ASP 30 6.846 -2.329 -18.714 218 1HB ASP 30 1HB ASP 30 7.887 0.261 -19.937 219 2HB ASP 30 2HB ASP 30 6.534 0.318 -18.831 220 H ALA 31 H ALA 31 7.684 -3.199 -20.648 221 HA ALA 31 HA ALA 31 10.708 -3.623 -20.641 222 1HB ALA 31 1HB ALA 31 10.222 -5.725 -21.900 223 2HB ALA 31 2HB ALA 31 9.345 -5.663 -20.359 224 3HB ALA 31 3HB ALA 31 8.479 -5.362 -21.889 225 H ASP 32 H ASP 32 7.981 -2.587 -22.603 226 HA ASP 32 HA ASP 32 9.560 -2.352 -25.169 227 1HB ASP 32 1HB ASP 32 7.007 -2.997 -24.988 228 2HB ASP 32 2HB ASP 32 7.605 -2.042 -26.326 229 H GLY 33 H GLY 33 8.175 -0.316 -22.624 230 1HA GLY 33 1HA GLY 33 9.556 1.671 -21.798 231 2HA GLY 33 2HA GLY 33 10.073 1.918 -23.450 232 H GLY 34 H GLY 34 7.373 2.162 -21.195 233 1HA GLY 34 1HA GLY 34 6.412 4.734 -22.339 234 2HA GLY 34 2HA GLY 34 5.685 3.878 -20.973 235 H GLY 35 H GLY 35 3.603 3.870 -21.511 236 1HA GLY 35 1HA GLY 35 1.961 3.970 -23.634 237 2HA GLY 35 2HA GLY 35 2.719 2.433 -24.070 238 H ASP 36 H ASP 36 2.921 1.012 -21.862 239 HA ASP 36 HA ASP 36 0.859 0.740 -19.921 240 1HB ASP 36 1HB ASP 36 -0.793 -0.862 -21.100 241 2HB ASP 36 2HB ASP 36 -0.979 0.859 -21.348 242 H ILE 37 H ILE 37 1.295 -0.986 -18.734 243 HA ILE 37 HA ILE 37 3.537 -2.806 -19.619 244 HB ILE 37 HB ILE 37 2.334 -2.780 -16.826 245 1HG1 ILE 37 1HG1 ILE 37 4.698 -1.014 -17.721 246 2HG1 ILE 37 2HG1 ILE 37 3.085 -0.425 -17.372 247 1HG2 ILE 37 1HG2 ILE 37 4.460 -3.805 -16.115 248 2HG2 ILE 37 2HG2 ILE 37 3.749 -4.753 -17.429 249 3HG2 ILE 37 3HG2 ILE 37 5.126 -3.676 -17.761 250 1HD1 ILE 37 1HD1 ILE 37 4.954 -1.713 -15.294 251 2HD1 ILE 37 2HD1 ILE 37 4.494 -0.002 -15.426 252 3HD1 ILE 37 3HD1 ILE 37 3.272 -1.213 -14.973 253 H SER 38 H SER 38 3.473 -5.101 -19.046 254 HA SER 38 HA SER 38 0.682 -6.368 -19.238 255 1HB SER 38 1HB SER 38 1.165 -7.560 -21.099 256 2HB SER 38 2HB SER 38 2.381 -6.312 -21.383 257 HG SER 38 HG SER 38 2.798 -8.818 -21.157 258 H THR 39 H THR 39 1.467 -8.978 -19.119 259 HA THR 39 HA THR 39 2.216 -9.312 -16.228 260 HB THR 39 HB THR 39 1.935 -11.905 -17.170 261 HG1 THR 39 HG1 THR 39 1.240 -11.475 -19.122 262 1HG2 THR 39 1HG2 THR 39 -0.301 -11.926 -16.157 263 2HG2 THR 39 2HG2 THR 39 0.775 -10.940 -15.139 264 3HG2 THR 39 3HG2 THR 39 -0.412 -10.151 -16.213 265 H LYS 40 H LYS 40 3.497 -10.154 -19.435 266 HA LYS 40 HA LYS 40 5.888 -11.599 -18.439 267 1HB LYS 40 1HB LYS 40 5.627 -10.404 -21.232 268 2HB LYS 40 2HB LYS 40 4.668 -11.792 -20.790 269 1HG LYS 40 1HG LYS 40 6.748 -13.118 -20.445 270 2HG LYS 40 2HG LYS 40 7.742 -11.688 -20.519 271 1HD LYS 40 1HD LYS 40 8.166 -12.261 -22.704 272 2HD LYS 40 2HD LYS 40 6.922 -13.475 -22.631 273 1HE LYS 40 1HE LYS 40 5.261 -11.350 -22.960 274 2HE LYS 40 2HE LYS 40 6.676 -10.685 -23.765 275 1HZ LYS 40 1HZ LYS 40 4.882 -12.270 -24.944 276 2HZ LYS 40 2HZ LYS 40 5.972 -13.429 -24.501 277 3HZ LYS 40 3HZ LYS 40 6.448 -12.171 -25.461 278 H GLU 41 H GLU 41 5.095 -8.315 -19.497 279 HA GLU 41 HA GLU 41 7.845 -7.243 -19.668 280 1HB GLU 41 1HB GLU 41 6.963 -5.233 -20.283 281 2HB GLU 41 2HB GLU 41 5.645 -5.296 -19.133 282 1HG GLU 41 1HG GLU 41 5.511 -7.221 -21.490 283 2HG GLU 41 2HG GLU 41 4.213 -6.469 -20.588 284 H LEU 42 H LEU 42 5.262 -7.080 -17.215 285 HA LEU 42 HA LEU 42 6.799 -5.453 -15.248 286 1HB LEU 42 1HB LEU 42 4.403 -7.204 -14.513 287 2HB LEU 42 2HB LEU 42 4.168 -5.779 -15.501 288 HG LEU 42 HG LEU 42 4.576 -4.280 -13.757 289 1HD1 LEU 42 1HD1 LEU 42 6.230 -6.349 -12.181 290 2HD1 LEU 42 2HD1 LEU 42 6.936 -5.170 -13.297 291 3HD1 LEU 42 3HD1 LEU 42 6.076 -4.605 -11.843 292 1HD2 LEU 42 1HD2 LEU 42 3.412 -5.024 -11.709 293 2HD2 LEU 42 2HD2 LEU 42 2.615 -5.791 -13.105 294 3HD2 LEU 42 3HD2 LEU 42 3.721 -6.737 -12.093 295 H GLY 43 H GLY 43 6.177 -8.868 -15.857 296 1HA GLY 43 1HA GLY 43 6.909 -10.200 -13.452 297 2HA GLY 43 2HA GLY 43 7.258 -10.875 -15.048 298 H THR 44 H THR 44 8.980 -8.613 -15.817 299 HA THR 44 HA THR 44 11.545 -9.809 -15.092 300 HB THR 44 HB THR 44 10.766 -7.368 -16.689 301 HG1 THR 44 HG1 THR 44 11.381 -9.851 -17.120 302 1HG2 THR 44 1HG2 THR 44 13.159 -6.812 -17.156 303 2HG2 THR 44 2HG2 THR 44 12.739 -6.473 -15.463 304 3HG2 THR 44 3HG2 THR 44 13.683 -7.929 -15.871 305 H VAL 45 H VAL 45 10.141 -6.627 -14.262 306 HA VAL 45 HA VAL 45 12.285 -5.717 -12.499 307 HB VAL 45 HB VAL 45 9.563 -4.745 -13.178 308 1HG1 VAL 45 1HG1 VAL 45 12.110 -3.151 -12.488 309 2HG1 VAL 45 2HG1 VAL 45 11.786 -3.815 -14.094 310 3HG1 VAL 45 3HG1 VAL 45 10.691 -2.592 -13.411 311 1HG2 VAL 45 1HG2 VAL 45 9.215 -3.236 -11.292 312 2HG2 VAL 45 2HG2 VAL 45 9.377 -4.868 -10.603 313 3HG2 VAL 45 3HG2 VAL 45 10.736 -3.738 -10.509 314 H MET 46 H MET 46 9.361 -7.633 -12.004 315 HA MET 46 HA MET 46 9.306 -7.791 -9.094 316 1HB MET 46 1HB MET 46 8.263 -9.702 -11.246 317 2HB MET 46 2HB MET 46 8.187 -10.127 -9.546 318 1HG MET 46 1HG MET 46 7.055 -7.406 -10.293 319 2HG MET 46 2HG MET 46 6.156 -8.840 -10.815 320 1HE MET 46 1HE MET 46 6.610 -11.084 -8.660 321 2HE MET 46 2HE MET 46 5.337 -10.724 -7.457 322 3HE MET 46 3HE MET 46 4.969 -10.612 -9.202 323 NH1 ARG 47 NH1 ARG 47 16.701 -14.660 -13.820 324 NH2 ARG 47 NH2 ARG 47 17.776 -12.723 -13.313 325 H ARG 47 H ARG 47 10.959 -9.737 -11.567 326 HA ARG 47 HA ARG 47 12.034 -11.886 -9.941 327 1HB ARG 47 1HB ARG 47 12.153 -11.273 -12.636 328 2HB ARG 47 2HB ARG 47 13.803 -10.900 -12.154 329 1HG ARG 47 1HG ARG 47 13.830 -13.264 -10.983 330 2HG ARG 47 2HG ARG 47 12.367 -13.596 -11.912 331 1HD ARG 47 1HD ARG 47 14.202 -14.457 -13.259 332 2HD ARG 47 2HD ARG 47 13.641 -12.995 -14.057 333 HE ARG 47 HE ARG 47 15.634 -11.782 -12.786 334 1HH1 ARG 47 1HH1 ARG 47 15.809 -15.162 -13.887 335 2HH1 ARG 47 2HH1 ARG 47 17.633 -15.030 -14.037 336 1HH2 ARG 47 1HH2 ARG 47 17.708 -11.750 -12.995 337 2HH2 ARG 47 2HH2 ARG 47 18.632 -13.229 -13.566 338 H MET 48 H MET 48 13.168 -8.600 -10.573 339 HA MET 48 HA MET 48 15.686 -8.897 -8.918 340 1HB MET 48 1HB MET 48 15.620 -6.219 -9.381 341 2HB MET 48 2HB MET 48 14.551 -6.712 -10.680 342 1HG MET 48 1HG MET 48 17.006 -8.397 -10.633 343 2HG MET 48 2HG MET 48 16.273 -7.496 -11.970 344 1HE MET 48 1HE MET 48 16.077 -4.464 -11.011 345 2HE MET 48 2HE MET 48 17.672 -3.839 -11.523 346 3HE MET 48 3HE MET 48 16.767 -4.951 -12.590 347 H LEU 49 H LEU 49 14.358 -9.603 -7.083 348 HA LEU 49 HA LEU 49 13.920 -7.298 -5.183 349 1HB LEU 49 1HB LEU 49 11.643 -9.136 -6.057 350 2HB LEU 49 2HB LEU 49 11.661 -7.389 -5.960 351 HG LEU 49 HG LEU 49 12.075 -8.711 -3.301 352 1HD1 LEU 49 1HD1 LEU 49 9.331 -9.049 -4.667 353 2HD1 LEU 49 2HD1 LEU 49 10.496 -10.364 -4.429 354 3HD1 LEU 49 3HD1 LEU 49 9.775 -9.553 -3.016 355 1HD2 LEU 49 1HD2 LEU 49 10.487 -7.005 -2.514 356 2HD2 LEU 49 2HD2 LEU 49 11.595 -6.205 -3.656 357 3HD2 LEU 49 3HD2 LEU 49 9.961 -6.639 -4.177 358 H GLY 50 H GLY 50 13.457 -10.815 -5.646 359 1HA GLY 50 1HA GLY 50 14.326 -11.590 -2.905 360 2HA GLY 50 2HA GLY 50 15.662 -11.771 -4.051 361 H GLN 51 H GLN 51 12.153 -12.322 -4.379 362 HA GLN 51 HA GLN 51 12.451 -15.303 -4.773 363 1HB GLN 51 1HB GLN 51 10.400 -13.751 -3.739 364 2HB GLN 51 2HB GLN 51 9.822 -13.994 -5.377 365 1HG GLN 51 1HG GLN 51 9.906 -16.458 -5.125 366 2HG GLN 51 2HG GLN 51 8.900 -15.725 -3.896 367 1HE2 GLN 51 1HE2 GLN 51 10.888 -16.987 -1.183 368 2HE2 GLN 51 2HE2 GLN 51 9.550 -15.845 -1.704 369 H ASN 52 H ASN 52 10.682 -15.841 -6.746 370 HA ASN 52 HA ASN 52 11.357 -14.235 -9.207 371 1HB ASN 52 1HB ASN 52 11.813 -17.265 -9.289 372 2HB ASN 52 2HB ASN 52 13.099 -16.172 -8.828 373 1HD2 ASN 52 1HD2 ASN 52 13.857 -16.085 -12.352 374 2HD2 ASN 52 2HD2 ASN 52 14.392 -16.451 -10.636 375 HA PRO 53 HA PRO 53 6.691 -15.395 -9.136 376 1HB PRO 53 1HB PRO 53 5.664 -13.519 -10.189 377 2HB PRO 53 2HB PRO 53 6.940 -13.405 -11.409 378 1HG PRO 53 1HG PRO 53 7.657 -11.642 -10.062 379 2HG PRO 53 2HG PRO 53 7.012 -12.327 -8.553 380 1HD PRO 53 1HD PRO 53 9.261 -13.034 -8.218 381 2HD PRO 53 2HD PRO 53 9.671 -12.859 -9.949 382 H THR 54 H THR 54 5.384 -16.334 -10.865 383 HA THR 54 HA THR 54 7.001 -17.709 -13.075 384 HB THR 54 HB THR 54 5.842 -19.052 -11.021 385 HG1 THR 54 HG1 THR 54 7.105 -20.081 -12.375 386 1HG2 THR 54 1HG2 THR 54 3.796 -20.224 -11.766 387 2HG2 THR 54 2HG2 THR 54 3.472 -18.481 -11.625 388 3HG2 THR 54 3HG2 THR 54 3.700 -19.218 -13.231 389 H LYS 55 H LYS 55 5.673 -18.316 -14.962 390 HA LYS 55 HA LYS 55 4.546 -15.942 -16.192 391 1HB LYS 55 1HB LYS 55 5.646 -17.834 -17.459 392 2HB LYS 55 2HB LYS 55 4.269 -18.868 -17.134 393 1HG LYS 55 1HG LYS 55 2.971 -16.759 -18.340 394 2HG LYS 55 2HG LYS 55 4.539 -16.607 -19.114 395 1HD LYS 55 1HD LYS 55 4.362 -19.096 -19.816 396 2HD LYS 55 2HD LYS 55 3.202 -18.004 -20.555 397 1HE LYS 55 1HE LYS 55 2.713 -20.332 -18.799 398 2HE LYS 55 2HE LYS 55 1.839 -18.917 -18.218 399 1HZ LYS 55 1HZ LYS 55 1.536 -20.373 -20.757 400 2HZ LYS 55 2HZ LYS 55 1.192 -18.758 -20.769 401 3HZ LYS 55 3HZ LYS 55 0.375 -19.768 -19.749 402 H GLU 56 H GLU 56 2.906 -19.019 -15.358 403 HA GLU 56 HA GLU 56 0.191 -18.181 -15.965 404 1HB GLU 56 1HB GLU 56 1.358 -20.452 -14.330 405 2HB GLU 56 2HB GLU 56 -0.359 -20.128 -14.197 406 1HG GLU 56 1HG GLU 56 -0.481 -20.320 -16.797 407 2HG GLU 56 2HG GLU 56 1.188 -20.863 -16.760 408 H GLU 57 H GLU 57 2.099 -18.099 -12.970 409 HA GLU 57 HA GLU 57 -0.013 -17.314 -11.100 410 1HB GLU 57 1HB GLU 57 2.820 -16.413 -10.572 411 2HB GLU 57 2HB GLU 57 2.516 -18.132 -10.712 412 1HG GLU 57 1HG GLU 57 0.477 -17.200 -8.908 413 2HG GLU 57 2HG GLU 57 1.881 -18.186 -8.521 414 H LEU 58 H LEU 58 2.075 -15.517 -13.289 415 HA LEU 58 HA LEU 58 1.829 -12.842 -12.213 416 1HB LEU 58 1HB LEU 58 2.524 -13.973 -14.949 417 2HB LEU 58 2HB LEU 58 2.218 -12.253 -14.812 418 HG LEU 58 HG LEU 58 4.232 -13.670 -12.966 419 1HD1 LEU 58 1HD1 LEU 58 6.071 -12.948 -14.539 420 2HD1 LEU 58 2HD1 LEU 58 5.014 -14.149 -15.296 421 3HD1 LEU 58 3HD1 LEU 58 4.856 -12.431 -15.737 422 1HD2 LEU 58 1HD2 LEU 58 3.982 -10.719 -13.847 423 2HD2 LEU 58 2HD2 LEU 58 3.502 -11.385 -12.266 424 3HD2 LEU 58 3HD2 LEU 58 5.211 -11.383 -12.741 425 H ASP 59 H ASP 59 -0.236 -14.759 -14.323 426 HA ASP 59 HA ASP 59 -2.011 -12.734 -15.388 427 1HB ASP 59 1HB ASP 59 -2.721 -15.665 -14.798 428 2HB ASP 59 2HB ASP 59 -1.927 -15.084 -16.243 429 H ALA 60 H ALA 60 -2.025 -14.499 -12.326 430 HA ALA 60 HA ALA 60 -4.691 -13.500 -11.421 431 1HB ALA 60 1HB ALA 60 -4.189 -14.732 -9.316 432 2HB ALA 60 2HB ALA 60 -3.905 -15.746 -10.744 433 3HB ALA 60 3HB ALA 60 -2.524 -15.047 -9.861 434 H ILE 61 H ILE 61 -1.284 -12.765 -10.814 435 HA ILE 61 HA ILE 61 -1.522 -10.914 -8.573 436 HB ILE 61 HB ILE 61 0.601 -11.620 -10.511 437 1HG1 ILE 61 1HG1 ILE 61 0.169 -11.721 -7.666 438 2HG1 ILE 61 2HG1 ILE 61 1.523 -12.355 -8.577 439 1HG2 ILE 61 1HG2 ILE 61 2.021 -9.575 -10.184 440 2HG2 ILE 61 2HG2 ILE 61 0.548 -9.172 -11.063 441 3HG2 ILE 61 3HG2 ILE 61 0.683 -8.758 -9.339 442 1HD1 ILE 61 1HD1 ILE 61 1.440 -9.537 -7.346 443 2HD1 ILE 61 2HD1 ILE 61 2.399 -10.932 -6.807 444 3HD1 ILE 61 3HD1 ILE 61 2.761 -10.164 -8.370 445 H ILE 62 H ILE 62 -1.898 -10.565 -12.066 446 HA ILE 62 HA ILE 62 -2.166 -7.599 -12.071 447 HB ILE 62 HB ILE 62 -2.553 -9.723 -14.218 448 1HG1 ILE 62 1HG1 ILE 62 -0.400 -7.746 -13.480 449 2HG1 ILE 62 2HG1 ILE 62 -0.269 -9.332 -14.212 450 1HG2 ILE 62 1HG2 ILE 62 -3.063 -7.935 -15.905 451 2HG2 ILE 62 2HG2 ILE 62 -4.329 -7.999 -14.680 452 3HG2 ILE 62 3HG2 ILE 62 -3.110 -6.705 -14.617 453 1HD1 ILE 62 1HD1 ILE 62 -0.992 -6.772 -15.757 454 2HD1 ILE 62 2HD1 ILE 62 0.527 -7.689 -15.820 455 3HD1 ILE 62 3HD1 ILE 62 -0.968 -8.413 -16.459 456 H GLU 63 H GLU 63 -4.389 -10.372 -12.469 457 HA GLU 63 HA GLU 63 -6.919 -9.125 -12.692 458 1HB GLU 63 1HB GLU 63 -6.666 -11.510 -10.822 459 2HB GLU 63 2HB GLU 63 -6.243 -11.691 -12.513 460 1HG GLU 63 1HG GLU 63 -8.982 -11.052 -11.290 461 2HG GLU 63 2HG GLU 63 -8.668 -10.629 -12.965 462 H GLU 64 H GLU 64 -4.872 -9.450 -9.844 463 HA GLU 64 HA GLU 64 -6.744 -8.718 -7.724 464 1HB GLU 64 1HB GLU 64 -4.315 -7.738 -6.796 465 2HB GLU 64 2HB GLU 64 -3.773 -8.907 -7.984 466 1HG GLU 64 1HG GLU 64 -3.901 -9.963 -5.761 467 2HG GLU 64 2HG GLU 64 -5.563 -9.447 -5.535 468 H VAL 65 H VAL 65 -4.394 -6.749 -9.571 469 HA VAL 65 HA VAL 65 -5.927 -4.200 -8.832 470 HB VAL 65 HB VAL 65 -3.698 -4.143 -7.909 471 1HG1 VAL 65 1HG1 VAL 65 -1.602 -4.244 -9.270 472 2HG1 VAL 65 2HG1 VAL 65 -2.509 -5.763 -9.396 473 3HG1 VAL 65 3HG1 VAL 65 -2.541 -4.599 -10.742 474 1HG2 VAL 65 1HG2 VAL 65 -3.819 -2.235 -10.345 475 2HG2 VAL 65 2HG2 VAL 65 -4.525 -1.936 -8.739 476 3HG2 VAL 65 3HG2 VAL 65 -2.768 -2.040 -8.921 477 H ASP 66 H ASP 66 -6.972 -5.777 -10.795 478 HA ASP 66 HA ASP 66 -6.666 -4.063 -13.269 479 1HB ASP 66 1HB ASP 66 -5.058 -5.893 -13.720 480 2HB ASP 66 2HB ASP 66 -6.283 -7.104 -13.417 481 H GLU 67 H GLU 67 -8.623 -3.847 -11.544 482 HA GLU 67 HA GLU 67 -11.020 -5.545 -12.228 483 1HB GLU 67 1HB GLU 67 -12.102 -3.666 -10.625 484 2HB GLU 67 2HB GLU 67 -11.286 -5.099 -10.029 485 1HG GLU 67 1HG GLU 67 -9.638 -2.553 -10.445 486 2HG GLU 67 2HG GLU 67 -9.348 -3.880 -9.333 487 H ASP 68 H ASP 68 -9.890 -4.185 -14.428 488 HA ASP 68 HA ASP 68 -11.938 -2.007 -15.086 489 1HB ASP 68 1HB ASP 68 -10.189 -0.627 -15.416 490 2HB ASP 68 2HB ASP 68 -9.018 -1.921 -15.319 491 H GLY 69 H GLY 69 -9.835 -4.545 -16.485 492 1HA GLY 69 1HA GLY 69 -11.950 -5.094 -18.649 493 2HA GLY 69 2HA GLY 69 -11.258 -6.427 -17.719 494 H SER 70 H SER 70 -9.535 -3.556 -18.858 495 HA SER 70 HA SER 70 -8.495 -4.294 -21.377 496 1HB SER 70 1HB SER 70 -6.924 -2.584 -21.165 497 2HB SER 70 2HB SER 70 -8.144 -2.104 -19.981 498 HG SER 70 HG SER 70 -6.854 -3.163 -18.385 499 H GLY 71 H GLY 71 -7.038 -5.043 -18.191 500 1HA GLY 71 1HA GLY 71 -6.033 -7.307 -17.668 501 2HA GLY 71 2HA GLY 71 -5.659 -7.494 -19.387 502 H THR 72 H THR 72 -4.677 -4.782 -19.721 503 HA THR 72 HA THR 72 -1.883 -5.077 -18.563 504 HB THR 72 HB THR 72 -1.407 -3.017 -20.100 505 HG1 THR 72 HG1 THR 72 -3.890 -3.098 -20.467 506 1HG2 THR 72 1HG2 THR 72 -0.976 -4.395 -22.095 507 2HG2 THR 72 2HG2 THR 72 -0.503 -5.314 -20.649 508 3HG2 THR 72 3HG2 THR 72 -2.021 -5.704 -21.500 509 H ILE 73 H ILE 73 -0.904 -3.397 -17.407 510 HA ILE 73 HA ILE 73 -2.813 -1.675 -15.775 511 HB ILE 73 HB ILE 73 0.065 -2.558 -15.255 512 1HG1 ILE 73 1HG1 ILE 73 -1.339 -4.345 -14.566 513 2HG1 ILE 73 2HG1 ILE 73 -2.654 -3.293 -14.087 514 1HG2 ILE 73 1HG2 ILE 73 0.071 -1.240 -13.141 515 2HG2 ILE 73 2HG2 ILE 73 -0.176 -0.152 -14.514 516 3HG2 ILE 73 3HG2 ILE 73 -1.553 -0.599 -13.479 517 1HD1 ILE 73 1HD1 ILE 73 -1.488 -2.583 -12.016 518 2HD1 ILE 73 2HD1 ILE 73 -1.588 -4.354 -12.111 519 3HD1 ILE 73 3HD1 ILE 73 -0.049 -3.536 -12.472 520 H ASP 74 H ASP 74 -3.252 -0.041 -17.173 521 HA ASP 74 HA ASP 74 -1.183 1.452 -18.735 522 1HB ASP 74 1HB ASP 74 -2.883 2.676 -19.725 523 2HB ASP 74 2HB ASP 74 -3.872 2.731 -18.284 524 H PHE 75 H PHE 75 -0.938 3.825 -18.421 525 HA PHE 75 HA PHE 75 0.232 4.448 -15.854 526 1HB PHE 75 1HB PHE 75 0.759 5.607 -18.066 527 2HB PHE 75 2HB PHE 75 -0.738 6.492 -17.943 528 HD1 PHE 75 HD1 PHE 75 1.542 5.726 -15.025 529 HD2 PHE 75 HD2 PHE 75 0.134 8.739 -17.757 530 HE1 PHE 75 HE1 PHE 75 2.682 7.466 -13.711 531 HE2 PHE 75 HE2 PHE 75 1.289 10.464 -16.431 532 HZ PHE 75 HZ PHE 75 2.560 9.834 -14.411 533 H GLU 76 H GLU 76 -3.000 4.962 -17.144 534 HA GLU 76 HA GLU 76 -4.064 6.910 -15.288 535 1HB GLU 76 1HB GLU 76 -6.066 6.653 -16.286 536 2HB GLU 76 2HB GLU 76 -6.072 4.909 -16.129 537 1HG GLU 76 1HG GLU 76 -4.250 5.041 -18.140 538 2HG GLU 76 2HG GLU 76 -5.978 5.014 -18.419 539 H GLU 77 H GLU 77 -4.589 3.372 -15.237 540 HA GLU 77 HA GLU 77 -5.728 3.287 -12.516 541 1HB GLU 77 1HB GLU 77 -6.225 1.140 -12.920 542 2HB GLU 77 2HB GLU 77 -5.847 1.552 -14.576 543 1HG GLU 77 1HG GLU 77 -3.360 0.735 -13.924 544 2HG GLU 77 2HG GLU 77 -4.182 -0.094 -12.607 545 H PHE 78 H PHE 78 -2.481 3.266 -13.738 546 HA PHE 78 HA PHE 78 -1.071 1.912 -11.585 547 1HB PHE 78 1HB PHE 78 0.031 4.243 -13.273 548 2HB PHE 78 2HB PHE 78 -0.110 2.613 -13.879 549 HD1 PHE 78 HD1 PHE 78 0.679 1.474 -10.873 550 HD2 PHE 78 HD2 PHE 78 2.494 4.156 -13.706 551 HE1 PHE 78 HE1 PHE 78 2.905 0.951 -9.959 552 HE2 PHE 78 HE2 PHE 78 4.711 3.620 -12.779 553 HZ PHE 78 HZ PHE 78 4.922 2.012 -10.916 554 H LEU 79 H LEU 79 -2.193 5.238 -11.989 555 HA LEU 79 HA LEU 79 -0.819 6.377 -9.619 556 1HB LEU 79 1HB LEU 79 -3.017 7.392 -11.482 557 2HB LEU 79 2HB LEU 79 -2.685 8.252 -9.995 558 HG LEU 79 HG LEU 79 -0.559 7.704 -12.158 559 1HD1 LEU 79 1HD1 LEU 79 -0.426 9.642 -9.763 560 2HD1 LEU 79 2HD1 LEU 79 0.338 8.042 -9.797 561 3HD1 LEU 79 3HD1 LEU 79 0.870 9.301 -10.939 562 1HD2 LEU 79 1HD2 LEU 79 -0.820 10.033 -12.902 563 2HD2 LEU 79 2HD2 LEU 79 -2.438 9.290 -12.933 564 3HD2 LEU 79 3HD2 LEU 79 -1.997 10.380 -11.611 565 H VAL 80 H VAL 80 -3.998 4.992 -10.283 566 HA VAL 80 HA VAL 80 -5.282 5.671 -7.709 567 HB VAL 80 HB VAL 80 -6.102 3.372 -9.550 568 1HG1 VAL 80 1HG1 VAL 80 -7.123 6.271 -9.775 569 2HG1 VAL 80 2HG1 VAL 80 -5.867 5.607 -10.827 570 3HG1 VAL 80 3HG1 VAL 80 -7.496 4.893 -10.843 571 1HG2 VAL 80 1HG2 VAL 80 -8.369 3.670 -8.664 572 2HG2 VAL 80 2HG2 VAL 80 -7.282 3.502 -7.266 573 3HG2 VAL 80 3HG2 VAL 80 -7.886 5.102 -7.721 574 H MET 81 H MET 81 -3.259 3.060 -8.914 575 HA MET 81 HA MET 81 -3.646 1.029 -6.829 576 1HB MET 81 1HB MET 81 -1.088 1.531 -8.462 577 2HB MET 81 2HB MET 81 -2.476 0.626 -9.038 578 1HG MET 81 1HG MET 81 -1.978 -1.265 -7.772 579 2HG MET 81 2HG MET 81 -1.355 -0.333 -6.399 580 1HE MET 81 1HE MET 81 -0.583 -2.427 -9.459 581 2HE MET 81 2HE MET 81 1.179 -2.621 -9.212 582 3HE MET 81 3HE MET 81 0.044 -3.051 -7.901 583 H MET 82 H MET 82 -1.054 3.465 -7.242 584 HA MET 82 HA MET 82 0.225 2.947 -4.637 585 1HB MET 82 1HB MET 82 1.281 5.354 -5.205 586 2HB MET 82 2HB MET 82 0.566 5.075 -6.781 587 1HG MET 82 1HG MET 82 1.880 2.618 -6.296 588 2HG MET 82 2HG MET 82 2.472 3.943 -7.305 589 1HE MET 82 1HE MET 82 5.713 2.884 -5.266 590 2HE MET 82 2HE MET 82 5.167 3.474 -6.864 591 3HE MET 82 3HE MET 82 4.475 1.971 -6.187 592 H VAL 83 H VAL 83 -2.296 5.122 -5.755 593 HA VAL 83 HA VAL 83 -2.251 7.072 -3.563 594 HB VAL 83 HB VAL 83 -4.229 6.445 -5.758 595 1HG1 VAL 83 1HG1 VAL 83 -5.852 8.151 -4.916 596 2HG1 VAL 83 2HG1 VAL 83 -5.751 6.782 -3.799 597 3HG1 VAL 83 3HG1 VAL 83 -4.932 8.310 -3.398 598 1HG2 VAL 83 1HG2 VAL 83 -2.871 9.086 -4.899 599 2HG2 VAL 83 2HG2 VAL 83 -2.367 8.052 -6.257 600 3HG2 VAL 83 3HG2 VAL 83 -3.937 8.868 -6.311 601 NH1 ARG 84 NH1 ARG 84 -7.523 -1.535 -3.544 602 NH2 ARG 84 NH2 ARG 84 -5.471 -2.049 -2.718 603 H ARG 84 H ARG 84 -3.858 3.978 -4.097 604 HA ARG 84 HA ARG 84 -5.922 3.943 -2.086 605 1HB ARG 84 1HB ARG 84 -4.294 1.786 -3.460 606 2HB ARG 84 2HB ARG 84 -5.128 1.332 -1.981 607 1HG ARG 84 1HG ARG 84 -7.260 1.557 -2.877 608 2HG ARG 84 2HG ARG 84 -6.810 2.860 -3.980 609 1HD ARG 84 1HD ARG 84 -7.362 0.620 -5.113 610 2HD ARG 84 2HD ARG 84 -5.823 1.335 -5.598 611 HE ARG 84 HE ARG 84 -4.688 -0.552 -4.583 612 1HH1 ARG 84 1HH1 ARG 84 -8.083 -0.941 -4.166 613 2HH1 ARG 84 2HH1 ARG 84 -7.870 -2.277 -2.926 614 1HH2 ARG 84 1HH2 ARG 84 -4.469 -1.829 -2.688 615 2HH2 ARG 84 2HH2 ARG 84 -5.958 -2.769 -2.172 616 H GLN 85 H GLN 85 -2.450 3.195 -1.805 617 HA GLN 85 HA GLN 85 -2.492 2.172 0.960 618 1HB GLN 85 1HB GLN 85 -0.641 1.981 -0.959 619 2HB GLN 85 2HB GLN 85 -0.257 1.835 0.746 620 1HG GLN 85 1HG GLN 85 0.376 4.123 -1.159 621 2HG GLN 85 2HG GLN 85 0.198 4.511 0.537 622 1HE2 GLN 85 1HE2 GLN 85 3.248 1.779 -0.255 623 2HE2 GLN 85 2HE2 GLN 85 1.561 1.523 -0.928 624 H MET 86 H MET 86 -2.057 5.356 -0.507 625 HA MET 86 HA MET 86 -0.977 6.928 1.617 626 1HB MET 86 1HB MET 86 -2.295 7.520 -0.889 627 2HB MET 86 2HB MET 86 -3.063 8.511 0.339 628 1HG MET 86 1HG MET 86 -0.211 8.727 0.820 629 2HG MET 86 2HG MET 86 -0.462 8.892 -0.926 630 1HE MET 86 1HE MET 86 -3.713 9.900 -0.657 631 2HE MET 86 2HE MET 86 -3.473 11.661 -0.848 632 3HE MET 86 3HE MET 86 -2.610 10.523 -1.923 633 H LYS 87 H LYS 87 -4.272 5.772 1.125 634 HA LYS 87 HA LYS 87 -5.813 7.359 2.963 635 1HB LYS 87 1HB LYS 87 -6.587 5.337 1.386 636 2HB LYS 87 2HB LYS 87 -7.517 5.836 2.792 637 1HG LYS 87 1HG LYS 87 -6.351 4.015 4.165 638 2HG LYS 87 2HG LYS 87 -5.600 3.429 2.690 639 1HD LYS 87 1HD LYS 87 -7.969 2.476 3.695 640 2HD LYS 87 2HD LYS 87 -8.613 3.776 2.698 641 1HE LYS 87 1HE LYS 87 -7.341 2.784 0.671 642 2HE LYS 87 2HE LYS 87 -6.905 1.404 1.688 643 1HZ LYS 87 1HZ LYS 87 -8.864 0.549 1.114 644 2HZ LYS 87 2HZ LYS 87 -9.381 1.945 0.397 645 3HZ LYS 87 3HZ LYS 87 -9.634 1.703 2.011 646 H GLU 88 H GLU 88 -6.054 7.432 5.104 647 HA GLU 88 HA GLU 88 -4.394 5.556 6.873 648 1HB GLU 88 1HB GLU 88 -5.018 8.496 7.468 649 2HB GLU 88 2HB GLU 88 -4.042 7.416 8.445 650 1HG GLU 88 1HG GLU 88 -2.740 9.081 6.998 651 2HG GLU 88 2HG GLU 88 -3.320 8.254 5.562 652 H ASP 89 H ASP 89 -7.067 5.115 5.950 653 HA ASP 89 HA ASP 89 -8.925 5.813 8.256 654 1HB ASP 89 1HB ASP 89 -10.500 4.389 6.432 655 2HB ASP 89 2HB ASP 89 -9.360 5.184 5.372 656 H ALA 90 H ALA 90 -7.145 4.258 9.251 657 HA ALA 90 HA ALA 90 -6.783 2.226 10.500 658 1HB ALA 90 1HB ALA 90 -8.800 0.851 11.079 659 2HB ALA 90 2HB ALA 90 -9.131 2.580 11.308 660 3HB ALA 90 3HB ALA 90 -9.782 1.734 9.883 Start of MODEL 11 Raw file had 660 H/Q atoms Start of MODEL 11 1 1H ALA 1 1H ALA 1 -23.402 4.298 -18.547 2 2H ALA 1 2H ALA 1 -24.555 4.409 -17.328 3 3H ALA 1 3H ALA 1 -24.390 5.655 -18.445 4 HA ALA 1 HA ALA 1 -21.969 5.742 -17.619 5 1HB ALA 1 1HB ALA 1 -23.892 7.506 -17.460 6 2HB ALA 1 2HB ALA 1 -22.572 7.647 -16.282 7 3HB ALA 1 3HB ALA 1 -24.135 6.947 -15.787 8 H SER 2 H SER 2 -21.556 3.473 -16.984 9 HA SER 2 HA SER 2 -21.951 2.957 -13.982 10 1HB SER 2 1HB SER 2 -21.719 0.744 -16.088 11 2HB SER 2 2HB SER 2 -22.112 0.574 -14.375 12 HG SER 2 HG SER 2 -23.892 0.576 -15.884 13 H MET 3 H MET 3 -19.945 4.308 -13.995 14 HA MET 3 HA MET 3 -17.450 2.558 -14.249 15 1HB MET 3 1HB MET 3 -16.870 5.402 -14.820 16 2HB MET 3 2HB MET 3 -16.324 3.949 -15.639 17 1HG MET 3 1HG MET 3 -18.235 3.912 -17.119 18 2HG MET 3 2HG MET 3 -19.181 4.983 -16.076 19 1HE MET 3 1HE MET 3 -15.863 4.942 -18.548 20 2HE MET 3 2HE MET 3 -15.367 5.281 -16.864 21 3HE MET 3 3HE MET 3 -15.267 6.571 -18.097 22 H THR 4 H THR 4 -17.071 2.241 -12.155 23 HA THR 4 HA THR 4 -17.503 4.016 -9.904 24 HB THR 4 HB THR 4 -15.550 1.706 -10.168 25 HG1 THR 4 HG1 THR 4 -17.926 1.740 -8.719 26 1HG2 THR 4 1HG2 THR 4 -16.024 1.632 -7.529 27 2HG2 THR 4 2HG2 THR 4 -16.170 3.395 -7.706 28 3HG2 THR 4 3HG2 THR 4 -14.658 2.571 -8.169 29 H ASP 5 H ASP 5 -16.357 5.630 -9.032 30 HA ASP 5 HA ASP 5 -13.995 6.806 -10.498 31 1HB ASP 5 1HB ASP 5 -14.488 8.814 -9.562 32 2HB ASP 5 2HB ASP 5 -14.718 8.154 -7.960 33 H GLN 6 H GLN 6 -12.777 4.820 -10.023 34 HA GLN 6 HA GLN 6 -11.656 4.449 -7.233 35 1HB GLN 6 1HB GLN 6 -11.872 2.354 -8.211 36 2HB GLN 6 2HB GLN 6 -11.512 2.926 -9.830 37 1HG GLN 6 1HG GLN 6 -9.164 2.809 -9.533 38 2HG GLN 6 2HG GLN 6 -9.247 2.962 -7.792 39 1HE2 GLN 6 1HE2 GLN 6 -8.876 -0.726 -9.300 40 2HE2 GLN 6 2HE2 GLN 6 -8.466 0.854 -10.136 41 H GLN 7 H GLN 7 -10.465 5.252 -10.509 42 HA GLN 7 HA GLN 7 -7.717 6.040 -9.635 43 1HB GLN 7 1HB GLN 7 -8.402 5.182 -12.014 44 2HB GLN 7 2HB GLN 7 -7.219 6.475 -11.870 45 1HG GLN 7 1HG GLN 7 -9.270 8.126 -12.205 46 2HG GLN 7 2HG GLN 7 -8.520 7.347 -13.589 47 1HE2 GLN 7 1HE2 GLN 7 -12.463 6.758 -12.913 48 2HE2 GLN 7 2HE2 GLN 7 -11.423 8.071 -12.163 49 H ALA 8 H ALA 8 -10.804 7.631 -10.243 50 HA ALA 8 HA ALA 8 -9.973 10.419 -10.306 51 1HB ALA 8 1HB ALA 8 -12.346 10.951 -9.769 52 2HB ALA 8 2HB ALA 8 -12.231 9.694 -11.016 53 3HB ALA 8 3HB ALA 8 -12.664 9.252 -9.345 54 H GLU 9 H GLU 9 -10.635 8.184 -7.657 55 HA GLU 9 HA GLU 9 -10.833 10.090 -5.440 56 1HB GLU 9 1HB GLU 9 -11.141 8.305 -4.063 57 2HB GLU 9 2HB GLU 9 -11.379 7.451 -5.581 58 1HG GLU 9 1HG GLU 9 -8.714 6.993 -5.428 59 2HG GLU 9 2HG GLU 9 -9.892 5.964 -4.623 60 H ALA 10 H ALA 10 -8.109 8.276 -6.827 61 HA ALA 10 HA ALA 10 -6.103 9.220 -4.823 62 1HB ALA 10 1HB ALA 10 -4.457 7.979 -6.219 63 2HB ALA 10 2HB ALA 10 -5.878 6.981 -5.858 64 3HB ALA 10 3HB ALA 10 -5.685 7.701 -7.477 65 NH1 ARG 11 NH1 ARG 11 -7.554 15.528 -11.931 66 NH2 ARG 11 NH2 ARG 11 -6.046 16.040 -13.551 67 H ARG 11 H ARG 11 -7.240 10.174 -7.999 68 HA ARG 11 HA ARG 11 -4.932 11.835 -8.874 69 1HB ARG 11 1HB ARG 11 -6.724 10.818 -10.421 70 2HB ARG 11 2HB ARG 11 -7.847 12.027 -9.817 71 1HG ARG 11 1HG ARG 11 -6.470 13.888 -10.683 72 2HG ARG 11 2HG ARG 11 -5.192 12.778 -11.186 73 1HD ARG 11 1HD ARG 11 -6.580 11.762 -12.912 74 2HD ARG 11 2HD ARG 11 -8.061 12.492 -12.287 75 HE ARG 11 HE ARG 11 -6.611 13.708 -14.327 76 1HH1 ARG 11 1HH1 ARG 11 -5.474 15.712 -14.337 77 2HH1 ARG 11 2HH1 ARG 11 -6.116 17.001 -13.199 78 1HH2 ARG 11 1HH2 ARG 11 -8.081 14.801 -11.435 79 2HH2 ARG 11 2HH2 ARG 11 -7.572 16.537 -11.742 80 H ALA 12 H ALA 12 -7.965 12.375 -7.139 81 HA ALA 12 HA ALA 12 -7.867 15.349 -7.111 82 1HB ALA 12 1HB ALA 12 -9.751 15.191 -5.497 83 2HB ALA 12 2HB ALA 12 -10.026 14.154 -6.911 84 3HB ALA 12 3HB ALA 12 -9.529 13.429 -5.361 85 H PHE 13 H PHE 13 -6.724 12.728 -5.053 86 HA PHE 13 HA PHE 13 -6.099 14.299 -2.654 87 1HB PHE 13 1HB PHE 13 -4.960 11.586 -3.537 88 2HB PHE 13 2HB PHE 13 -6.474 11.807 -2.699 89 HD1 PHE 13 HD1 PHE 13 -6.390 11.438 -0.344 90 HD2 PHE 13 HD2 PHE 13 -2.841 12.911 -2.285 91 HE1 PHE 13 HE1 PHE 13 -5.151 11.282 1.777 92 HE2 PHE 13 HE2 PHE 13 -1.621 12.747 -0.156 93 HZ PHE 13 HZ PHE 13 -2.768 11.934 1.876 94 H LEU 14 H LEU 14 -4.185 13.143 -5.428 95 HA LEU 14 HA LEU 14 -1.684 14.616 -4.481 96 1HB LEU 14 1HB LEU 14 -0.398 13.266 -5.953 97 2HB LEU 14 2HB LEU 14 -1.764 12.852 -6.966 98 HG LEU 14 HG LEU 14 -2.687 11.340 -5.199 99 1HD1 LEU 14 1HD1 LEU 14 -0.949 9.555 -5.355 100 2HD1 LEU 14 2HD1 LEU 14 -1.124 10.397 -6.906 101 3HD1 LEU 14 3HD1 LEU 14 0.273 10.751 -5.859 102 1HD2 LEU 14 1HD2 LEU 14 -0.171 12.060 -3.547 103 2HD2 LEU 14 2HD2 LEU 14 -1.854 12.460 -3.123 104 3HD2 LEU 14 3HD2 LEU 14 -1.335 10.768 -3.158 105 H SER 15 H SER 15 -0.438 15.670 -6.282 106 HA SER 15 HA SER 15 -2.284 17.333 -8.077 107 1HB SER 15 1HB SER 15 0.501 18.265 -7.285 108 2HB SER 15 2HB SER 15 -0.911 19.212 -7.758 109 HG SER 15 HG SER 15 -1.873 18.739 -5.824 110 H GLU 16 H GLU 16 -0.601 18.406 -9.819 111 HA GLU 16 HA GLU 16 0.135 16.130 -11.632 112 1HB GLU 16 1HB GLU 16 -1.165 18.135 -12.423 113 2HB GLU 16 2HB GLU 16 0.246 19.146 -12.183 114 1HG GLU 16 1HG GLU 16 1.465 17.469 -13.859 115 2HG GLU 16 2HG GLU 16 0.388 18.707 -14.482 116 H GLU 17 H GLU 17 1.681 18.716 -9.813 117 HA GLU 17 HA GLU 17 4.432 18.246 -10.947 118 1HB GLU 17 1HB GLU 17 4.475 20.441 -10.482 119 2HB GLU 17 2HB GLU 17 4.967 19.922 -8.882 120 1HG GLU 17 1HG GLU 17 2.270 21.022 -9.800 121 2HG GLU 17 2HG GLU 17 2.288 19.948 -8.412 122 H MET 18 H MET 18 2.540 17.506 -8.066 123 HA MET 18 HA MET 18 4.675 16.183 -6.486 124 1HB MET 18 1HB MET 18 2.529 15.028 -5.379 125 2HB MET 18 2HB MET 18 1.638 16.230 -6.295 126 1HG MET 18 1HG MET 18 3.923 17.050 -4.401 127 2HG MET 18 2HG MET 18 2.676 18.089 -5.111 128 1HE MET 18 1HE MET 18 3.766 16.436 -1.975 129 2HE MET 18 2HE MET 18 2.367 15.540 -1.313 130 3HE MET 18 3HE MET 18 3.243 14.900 -2.734 131 H ILE 19 H ILE 19 2.380 15.221 -8.976 132 HA ILE 19 HA ILE 19 2.580 12.319 -8.773 133 HB ILE 19 HB ILE 19 1.496 14.228 -10.764 134 1HG1 ILE 19 1HG1 ILE 19 0.379 11.427 -10.417 135 2HG1 ILE 19 2HG1 ILE 19 -0.460 12.955 -10.576 136 1HG2 ILE 19 1HG2 ILE 19 1.396 12.636 -12.699 137 2HG2 ILE 19 2HG2 ILE 19 3.071 13.042 -12.332 138 3HG2 ILE 19 3HG2 ILE 19 2.416 11.470 -11.822 139 1HD1 ILE 19 1HD1 ILE 19 -0.017 13.583 -8.219 140 2HD1 ILE 19 2HD1 ILE 19 -0.772 11.978 -8.308 141 3HD1 ILE 19 3HD1 ILE 19 0.973 12.116 -7.989 142 H ALA 20 H ALA 20 4.547 14.792 -10.354 143 HA ALA 20 HA ALA 20 6.231 13.347 -12.117 144 1HB ALA 20 1HB ALA 20 7.966 15.093 -11.731 145 2HB ALA 20 2HB ALA 20 6.348 15.806 -11.879 146 3HB ALA 20 3HB ALA 20 7.113 15.661 -10.276 147 H GLU 21 H GLU 21 6.305 13.447 -8.599 148 HA GLU 21 HA GLU 21 8.882 12.241 -8.048 149 1HB GLU 21 1HB GLU 21 7.784 11.474 -5.843 150 2HB GLU 21 2HB GLU 21 6.292 12.193 -6.416 151 1HG GLU 21 1HG GLU 21 7.857 13.592 -4.831 152 2HG GLU 21 2HG GLU 21 7.095 14.408 -6.185 153 H PHE 22 H PHE 22 5.646 10.725 -8.237 154 HA PHE 22 HA PHE 22 6.781 7.942 -8.376 155 1HB PHE 22 1HB PHE 22 3.815 8.528 -8.797 156 2HB PHE 22 2HB PHE 22 4.581 7.128 -8.098 157 HD1 PHE 22 HD1 PHE 22 4.853 6.903 -5.725 158 HD2 PHE 22 HD2 PHE 22 3.972 10.787 -7.360 159 HE1 PHE 22 HE1 PHE 22 4.353 7.750 -3.471 160 HE2 PHE 22 HE2 PHE 22 3.480 11.615 -5.095 161 HZ PHE 22 HZ PHE 22 3.671 10.104 -3.149 162 H LYS 23 H LYS 23 6.819 10.231 -10.607 163 HA LYS 23 HA LYS 23 5.624 8.765 -12.984 164 1HB LYS 23 1HB LYS 23 5.898 11.469 -12.501 165 2HB LYS 23 2HB LYS 23 7.371 11.193 -13.404 166 1HG LYS 23 1HG LYS 23 6.250 11.219 -15.370 167 2HG LYS 23 2HG LYS 23 5.237 9.881 -14.855 168 1HD LYS 23 1HD LYS 23 3.747 11.596 -13.600 169 2HD LYS 23 2HD LYS 23 3.671 11.607 -15.366 170 1HE LYS 23 1HE LYS 23 5.740 13.448 -14.920 171 2HE LYS 23 2HE LYS 23 4.725 13.726 -13.498 172 1HZ LYS 23 1HZ LYS 23 2.842 13.695 -15.349 173 2HZ LYS 23 2HZ LYS 23 4.092 14.154 -16.326 174 3HZ LYS 23 3HZ LYS 23 3.697 15.066 -15.007 175 H ALA 24 H ALA 24 8.726 9.572 -11.500 176 HA ALA 24 HA ALA 24 10.494 8.624 -13.651 177 1HB ALA 24 1HB ALA 24 12.304 8.755 -11.951 178 2HB ALA 24 2HB ALA 24 11.288 10.208 -11.922 179 3HB ALA 24 3HB ALA 24 11.109 8.973 -10.649 180 H ALA 25 H ALA 25 9.584 7.175 -10.502 181 HA ALA 25 HA ALA 25 11.017 4.639 -10.819 182 1HB ALA 25 1HB ALA 25 9.691 3.866 -8.861 183 2HB ALA 25 2HB ALA 25 10.345 5.493 -8.594 184 3HB ALA 25 3HB ALA 25 8.620 5.283 -8.988 185 H PHE 26 H PHE 26 7.796 5.745 -11.698 186 HA PHE 26 HA PHE 26 6.369 3.242 -12.053 187 1HB PHE 26 1HB PHE 26 5.014 5.186 -12.154 188 2HB PHE 26 2HB PHE 26 6.002 5.981 -13.350 189 HD1 PHE 26 HD1 PHE 26 4.295 2.566 -13.186 190 HD2 PHE 26 HD2 PHE 26 4.846 6.203 -15.417 191 HE1 PHE 26 HE1 PHE 26 2.696 1.779 -14.884 192 HE2 PHE 26 HE2 PHE 26 3.245 5.399 -17.105 193 HZ PHE 26 HZ PHE 26 2.178 3.185 -16.849 194 H ASP 27 H ASP 27 8.393 5.122 -14.301 195 HA ASP 27 HA ASP 27 8.177 3.294 -16.611 196 1HB ASP 27 1HB ASP 27 8.791 5.609 -17.039 197 2HB ASP 27 2HB ASP 27 10.189 5.517 -15.992 198 H MET 28 H MET 28 10.361 3.613 -13.859 199 HA MET 28 HA MET 28 12.523 1.853 -14.493 200 1HB MET 28 1HB MET 28 12.069 3.178 -12.251 201 2HB MET 28 2HB MET 28 11.254 1.718 -11.720 202 1HG MET 28 1HG MET 28 14.097 1.450 -12.814 203 2HG MET 28 2HG MET 28 13.849 2.098 -11.184 204 1HE MET 28 1HE MET 28 11.607 0.762 -9.703 205 2HE MET 28 2HE MET 28 12.314 -0.778 -9.129 206 3HE MET 28 3HE MET 28 13.291 0.720 -9.092 207 H PHE 29 H PHE 29 9.258 1.071 -13.335 208 HA PHE 29 HA PHE 29 9.625 -1.877 -13.191 209 1HB PHE 29 1HB PHE 29 6.968 -0.338 -13.408 210 2HB PHE 29 2HB PHE 29 7.155 -2.009 -12.950 211 HD1 PHE 29 HD1 PHE 29 9.942 -0.398 -11.474 212 HD2 PHE 29 HD2 PHE 29 5.674 -0.722 -11.008 213 HE1 PHE 29 HE1 PHE 29 10.136 0.278 -9.116 214 HE2 PHE 29 HE2 PHE 29 5.893 -0.050 -8.651 215 HZ PHE 29 HZ PHE 29 8.115 0.466 -7.706 216 H ASP 30 H ASP 30 8.322 0.448 -15.541 217 HA ASP 30 HA ASP 30 7.322 -1.393 -17.562 218 1HB ASP 30 1HB ASP 30 6.700 0.980 -17.638 219 2HB ASP 30 2HB ASP 30 8.358 1.473 -17.892 220 H ALA 31 H ALA 31 8.251 -2.243 -19.392 221 HA ALA 31 HA ALA 31 11.261 -2.091 -19.794 222 1HB ALA 31 1HB ALA 31 11.543 -4.569 -19.722 223 2HB ALA 31 2HB ALA 31 11.003 -3.924 -18.160 224 3HB ALA 31 3HB ALA 31 9.850 -4.778 -19.217 225 H ASP 32 H ASP 32 8.723 -1.334 -21.201 226 HA ASP 32 HA ASP 32 9.175 -2.801 -23.850 227 1HB ASP 32 1HB ASP 32 7.025 -3.486 -23.726 228 2HB ASP 32 2HB ASP 32 6.650 -1.863 -24.257 229 H GLY 33 H GLY 33 7.647 0.186 -22.579 230 1HA GLY 33 1HA GLY 33 9.546 2.026 -24.014 231 2HA GLY 33 2HA GLY 33 7.981 1.922 -24.787 232 H GLY 34 H GLY 34 6.074 2.211 -23.208 233 1HA GLY 34 1HA GLY 34 6.457 4.724 -21.577 234 2HA GLY 34 2HA GLY 34 5.980 3.317 -20.617 235 H GLY 35 H GLY 35 3.957 3.841 -20.088 236 1HA GLY 35 1HA GLY 35 1.750 5.108 -21.193 237 2HA GLY 35 2HA GLY 35 1.842 3.705 -22.266 238 H ASP 36 H ASP 36 2.533 1.652 -20.701 239 HA ASP 36 HA ASP 36 0.888 1.493 -18.185 240 1HB ASP 36 1HB ASP 36 -0.980 1.042 -19.533 241 2HB ASP 36 2HB ASP 36 -0.431 -0.539 -19.027 242 H ILE 37 H ILE 37 0.871 -1.043 -17.619 243 HA ILE 37 HA ILE 37 3.635 -2.243 -18.140 244 HB ILE 37 HB ILE 37 2.641 -2.850 -15.438 245 1HG1 ILE 37 1HG1 ILE 37 2.859 0.052 -16.126 246 2HG1 ILE 37 2HG1 ILE 37 2.054 -0.738 -14.784 247 1HG2 ILE 37 1HG2 ILE 37 5.025 -2.657 -14.845 248 2HG2 ILE 37 2HG2 ILE 37 4.855 -3.578 -16.346 249 3HG2 ILE 37 3HG2 ILE 37 5.398 -1.884 -16.404 250 1HD1 ILE 37 1HD1 ILE 37 5.065 -0.105 -14.881 251 2HD1 ILE 37 2HD1 ILE 37 3.821 0.687 -13.890 252 3HD1 ILE 37 3HD1 ILE 37 4.259 -1.007 -13.569 253 H SER 38 H SER 38 3.266 -4.502 -16.533 254 HA SER 38 HA SER 38 0.771 -5.948 -17.443 255 1HB SER 38 1HB SER 38 1.696 -7.387 -19.027 256 2HB SER 38 2HB SER 38 2.502 -5.864 -19.409 257 HG SER 38 HG SER 38 4.167 -6.679 -17.854 258 H THR 39 H THR 39 1.493 -8.490 -17.085 259 HA THR 39 HA THR 39 1.964 -8.712 -14.123 260 HB THR 39 HB THR 39 1.699 -11.335 -14.958 261 HG1 THR 39 HG1 THR 39 1.306 -10.727 -17.054 262 1HG2 THR 39 1HG2 THR 39 -0.630 -11.253 -14.182 263 2HG2 THR 39 2HG2 THR 39 0.362 -10.234 -13.113 264 3HG2 THR 39 3HG2 THR 39 -0.687 -9.483 -14.344 265 H LYS 40 H LYS 40 3.538 -9.561 -17.172 266 HA LYS 40 HA LYS 40 5.757 -11.126 -16.075 267 1HB LYS 40 1HB LYS 40 4.862 -10.963 -18.514 268 2HB LYS 40 2HB LYS 40 5.886 -9.567 -18.723 269 1HG LYS 40 1HG LYS 40 7.410 -11.809 -17.540 270 2HG LYS 40 2HG LYS 40 6.472 -12.411 -18.881 271 1HD LYS 40 1HD LYS 40 8.369 -10.004 -19.245 272 2HD LYS 40 2HD LYS 40 8.924 -11.653 -19.246 273 1HE LYS 40 1HE LYS 40 8.687 -11.389 -21.506 274 2HE LYS 40 2HE LYS 40 7.123 -12.107 -21.148 275 1HZ LYS 40 1HZ LYS 40 7.176 -10.046 -22.608 276 2HZ LYS 40 2HZ LYS 40 7.501 -9.156 -21.255 277 3HZ LYS 40 3HZ LYS 40 6.086 -10.000 -21.369 278 H GLU 41 H GLU 41 5.635 -7.768 -17.328 279 HA GLU 41 HA GLU 41 8.253 -6.843 -16.625 280 1HB GLU 41 1HB GLU 41 7.565 -4.640 -16.964 281 2HB GLU 41 2HB GLU 41 5.954 -4.907 -16.335 282 1HG GLU 41 1HG GLU 41 7.015 -5.761 -19.094 283 2HG GLU 41 2HG GLU 41 5.500 -6.358 -18.451 284 H LEU 42 H LEU 42 5.263 -6.765 -14.684 285 HA LEU 42 HA LEU 42 6.332 -5.384 -12.331 286 1HB LEU 42 1HB LEU 42 4.082 -7.419 -12.058 287 2HB LEU 42 2HB LEU 42 3.812 -6.014 -13.066 288 HG LEU 42 HG LEU 42 3.878 -4.486 -11.256 289 1HD1 LEU 42 1HD1 LEU 42 5.217 -6.566 -9.417 290 2HD1 LEU 42 2HD1 LEU 42 6.109 -5.330 -10.317 291 3HD1 LEU 42 3HD1 LEU 42 4.935 -4.841 -9.070 292 1HD2 LEU 42 1HD2 LEU 42 2.321 -5.332 -9.535 293 2HD2 LEU 42 2HD2 LEU 42 1.874 -6.070 -11.093 294 3HD2 LEU 42 3HD2 LEU 42 2.763 -7.022 -9.891 295 H GLY 43 H GLY 43 6.178 -8.764 -13.323 296 1HA GLY 43 1HA GLY 43 7.105 -10.806 -12.396 297 2HA GLY 43 2HA GLY 43 6.957 -10.039 -10.809 298 H THR 44 H THR 44 8.785 -8.595 -13.431 299 HA THR 44 HA THR 44 11.412 -9.758 -12.813 300 HB THR 44 HB THR 44 10.800 -7.209 -14.397 301 HG1 THR 44 HG1 THR 44 10.824 -8.506 -16.115 302 1HG2 THR 44 1HG2 THR 44 13.013 -7.570 -15.504 303 2HG2 THR 44 2HG2 THR 44 13.210 -7.221 -13.774 304 3HG2 THR 44 3HG2 THR 44 13.380 -8.893 -14.368 305 H VAL 45 H VAL 45 9.995 -6.542 -12.180 306 HA VAL 45 HA VAL 45 12.231 -5.424 -10.637 307 HB VAL 45 HB VAL 45 9.511 -4.549 -11.340 308 1HG1 VAL 45 1HG1 VAL 45 11.974 -2.851 -10.595 309 2HG1 VAL 45 2HG1 VAL 45 11.736 -3.567 -12.194 310 3HG1 VAL 45 3HG1 VAL 45 10.574 -2.365 -11.587 311 1HG2 VAL 45 1HG2 VAL 45 9.038 -3.005 -9.510 312 2HG2 VAL 45 2HG2 VAL 45 9.228 -4.612 -8.771 313 3HG2 VAL 45 3HG2 VAL 45 10.543 -3.435 -8.655 314 H MET 46 H MET 46 9.388 -7.366 -9.856 315 HA MET 46 HA MET 46 9.464 -7.187 -6.932 316 1HB MET 46 1HB MET 46 8.101 -9.029 -8.903 317 2HB MET 46 2HB MET 46 8.328 -9.652 -7.279 318 1HG MET 46 1HG MET 46 7.248 -6.897 -7.147 319 2HG MET 46 2HG MET 46 6.237 -7.931 -8.171 320 1HE MET 46 1HE MET 46 4.987 -6.748 -5.543 321 2HE MET 46 2HE MET 46 5.249 -7.662 -4.028 322 3HE MET 46 3HE MET 46 6.564 -6.653 -4.698 323 NH1 ARG 47 NH1 ARG 47 17.774 -11.313 -11.446 324 NH2 ARG 47 NH2 ARG 47 17.210 -13.387 -12.184 325 H ARG 47 H ARG 47 11.049 -9.256 -9.308 326 HA ARG 47 HA ARG 47 12.138 -11.330 -7.561 327 1HB ARG 47 1HB ARG 47 12.943 -12.209 -9.470 328 2HB ARG 47 2HB ARG 47 12.134 -10.885 -10.298 329 1HG ARG 47 1HG ARG 47 14.395 -9.527 -9.850 330 2HG ARG 47 2HG ARG 47 14.245 -10.639 -11.211 331 1HD ARG 47 1HD ARG 47 16.323 -10.731 -9.351 332 2HD ARG 47 2HD ARG 47 15.217 -11.895 -8.640 333 HE ARG 47 HE ARG 47 15.376 -13.334 -10.640 334 1HH1 ARG 47 1HH1 ARG 47 17.560 -10.530 -10.817 335 2HH1 ARG 47 2HH1 ARG 47 18.549 -11.368 -12.116 336 1HH2 ARG 47 1HH2 ARG 47 16.570 -14.186 -12.122 337 2HH2 ARG 47 2HH2 ARG 47 18.024 -13.297 -12.803 338 H MET 48 H MET 48 13.256 -8.119 -8.491 339 HA MET 48 HA MET 48 16.034 -8.229 -7.540 340 1HB MET 48 1HB MET 48 16.208 -6.048 -8.132 341 2HB MET 48 2HB MET 48 14.657 -6.318 -8.905 342 1HG MET 48 1HG MET 48 13.867 -4.542 -7.714 343 2HG MET 48 2HG MET 48 13.898 -5.576 -6.275 344 1HE MET 48 1HE MET 48 14.827 -2.210 -7.457 345 2HE MET 48 2HE MET 48 16.573 -1.974 -7.153 346 3HE MET 48 3HE MET 48 16.037 -3.011 -8.507 347 H LEU 49 H LEU 49 12.932 -7.679 -5.971 348 HA LEU 49 HA LEU 49 13.605 -6.459 -3.484 349 1HB LEU 49 1HB LEU 49 11.618 -8.780 -3.524 350 2HB LEU 49 2HB LEU 49 11.269 -7.332 -4.442 351 HG LEU 49 HG LEU 49 10.124 -7.185 -2.301 352 1HD1 LEU 49 1HD1 LEU 49 11.291 -7.254 -0.095 353 2HD1 LEU 49 2HD1 LEU 49 11.530 -8.773 -0.977 354 3HD1 LEU 49 3HD1 LEU 49 12.848 -7.578 -0.898 355 1HD2 LEU 49 1HD2 LEU 49 12.549 -5.263 -2.241 356 2HD2 LEU 49 2HD2 LEU 49 11.012 -4.986 -3.097 357 3HD2 LEU 49 3HD2 LEU 49 11.033 -5.051 -1.329 358 H GLY 50 H GLY 50 13.562 -9.959 -4.222 359 1HA GLY 50 1HA GLY 50 16.010 -10.699 -2.788 360 2HA GLY 50 2HA GLY 50 14.662 -10.863 -1.654 361 H GLN 51 H GLN 51 12.657 -11.949 -2.709 362 HA GLN 51 HA GLN 51 13.461 -14.726 -3.568 363 1HB GLN 51 1HB GLN 51 11.291 -13.643 -2.078 364 2HB GLN 51 2HB GLN 51 10.561 -14.190 -3.576 365 1HG GLN 51 1HG GLN 51 12.439 -16.058 -2.041 366 2HG GLN 51 2HG GLN 51 11.232 -16.483 -3.235 367 1HE2 GLN 51 1HE2 GLN 51 8.668 -15.461 -0.458 368 2HE2 GLN 51 2HE2 GLN 51 9.189 -14.627 -2.007 369 H ASN 52 H ASN 52 11.344 -15.408 -5.193 370 HA ASN 52 HA ASN 52 11.245 -13.508 -7.530 371 1HB ASN 52 1HB ASN 52 13.261 -15.279 -7.640 372 2HB ASN 52 2HB ASN 52 12.027 -16.384 -8.205 373 1HD2 ASN 52 1HD2 ASN 52 13.687 -14.509 -11.109 374 2HD2 ASN 52 2HD2 ASN 52 14.242 -15.581 -9.727 375 HA PRO 53 HA PRO 53 6.911 -15.413 -6.681 376 1HB PRO 53 1HB PRO 53 6.316 -13.253 -8.751 377 2HB PRO 53 2HB PRO 53 5.476 -13.704 -7.260 378 1HG PRO 53 1HG PRO 53 7.110 -11.510 -7.360 379 2HG PRO 53 2HG PRO 53 6.887 -12.429 -5.853 380 1HD PRO 53 1HD PRO 53 9.245 -12.762 -6.025 381 2HD PRO 53 2HD PRO 53 9.259 -12.380 -7.773 382 H THR 54 H THR 54 5.435 -16.450 -8.202 383 HA THR 54 HA THR 54 6.861 -17.603 -10.650 384 HB THR 54 HB THR 54 5.874 -19.058 -8.569 385 HG1 THR 54 HG1 THR 54 7.023 -19.505 -10.693 386 1HG2 THR 54 1HG2 THR 54 3.824 -20.266 -9.245 387 2HG2 THR 54 2HG2 THR 54 3.456 -18.541 -9.016 388 3HG2 THR 54 3HG2 THR 54 3.614 -19.208 -10.661 389 H LYS 55 H LYS 55 5.460 -18.107 -12.481 390 HA LYS 55 HA LYS 55 4.179 -15.735 -13.508 391 1HB LYS 55 1HB LYS 55 5.196 -17.676 -14.864 392 2HB LYS 55 2HB LYS 55 3.757 -16.922 -15.516 393 1HG LYS 55 1HG LYS 55 3.828 -19.414 -15.758 394 2HG LYS 55 2HG LYS 55 3.787 -19.610 -14.015 395 1HD LYS 55 1HD LYS 55 1.518 -17.901 -14.784 396 2HD LYS 55 2HD LYS 55 1.576 -19.266 -15.888 397 1HE LYS 55 1HE LYS 55 1.458 -19.470 -12.823 398 2HE LYS 55 2HE LYS 55 0.112 -19.761 -13.922 399 1HZ LYS 55 1HZ LYS 55 1.509 -21.614 -14.884 400 2HZ LYS 55 2HZ LYS 55 1.054 -21.848 -13.313 401 3HZ LYS 55 3HZ LYS 55 2.599 -21.383 -13.665 402 H GLU 56 H GLU 56 2.898 -18.535 -11.807 403 HA GLU 56 HA GLU 56 0.034 -18.070 -12.372 404 1HB GLU 56 1HB GLU 56 1.454 -20.216 -11.417 405 2HB GLU 56 2HB GLU 56 0.771 -19.634 -9.911 406 1HG GLU 56 1HG GLU 56 -0.600 -20.900 -12.291 407 2HG GLU 56 2HG GLU 56 -1.507 -19.614 -11.514 408 H GLU 57 H GLU 57 2.262 -17.272 -9.729 409 HA GLU 57 HA GLU 57 0.289 -16.233 -7.806 410 1HB GLU 57 1HB GLU 57 3.247 -15.477 -7.902 411 2HB GLU 57 2HB GLU 57 2.657 -16.998 -7.270 412 1HG GLU 57 1HG GLU 57 2.890 -15.756 -5.293 413 2HG GLU 57 2HG GLU 57 2.486 -14.220 -6.051 414 H LEU 58 H LEU 58 2.104 -14.836 -10.480 415 HA LEU 58 HA LEU 58 1.735 -11.995 -9.834 416 1HB LEU 58 1HB LEU 58 2.679 -13.564 -12.249 417 2HB LEU 58 2HB LEU 58 2.186 -11.904 -12.512 418 HG LEU 58 HG LEU 58 4.274 -12.731 -10.396 419 1HD1 LEU 58 1HD1 LEU 58 6.034 -11.913 -12.011 420 2HD1 LEU 58 2HD1 LEU 58 5.190 -13.332 -12.647 421 3HD1 LEU 58 3HD1 LEU 58 4.795 -11.714 -13.276 422 1HD2 LEU 58 1HD2 LEU 58 3.619 -9.962 -11.598 423 2HD2 LEU 58 2HD2 LEU 58 3.194 -10.520 -9.961 424 3HD2 LEU 58 3HD2 LEU 58 4.897 -10.313 -10.408 425 H ASP 59 H ASP 59 -0.046 -14.375 -11.750 426 HA ASP 59 HA ASP 59 -2.053 -12.608 -12.970 427 1HB ASP 59 1HB ASP 59 -2.276 -15.614 -12.368 428 2HB ASP 59 2HB ASP 59 -1.612 -14.907 -13.823 429 H ALA 60 H ALA 60 -1.761 -14.246 -9.869 430 HA ALA 60 HA ALA 60 -4.494 -13.704 -8.868 431 1HB ALA 60 1HB ALA 60 -3.603 -14.449 -6.666 432 2HB ALA 60 2HB ALA 60 -3.141 -15.568 -7.963 433 3HB ALA 60 3HB ALA 60 -1.939 -14.433 -7.297 434 H ILE 61 H ILE 61 -1.412 -12.013 -8.823 435 HA ILE 61 HA ILE 61 -2.008 -10.059 -6.693 436 HB ILE 61 HB ILE 61 0.208 -10.450 -8.665 437 1HG1 ILE 61 1HG1 ILE 61 1.279 -11.034 -6.749 438 2HG1 ILE 61 2HG1 ILE 61 -0.160 -10.674 -5.821 439 1HG2 ILE 61 1HG2 ILE 61 1.215 -8.176 -8.313 440 2HG2 ILE 61 2HG2 ILE 61 -0.321 -8.048 -9.168 441 3HG2 ILE 61 3HG2 ILE 61 -0.243 -7.646 -7.437 442 1HD1 ILE 61 1HD1 ILE 61 0.549 -8.334 -5.404 443 2HD1 ILE 61 2HD1 ILE 61 1.823 -9.473 -4.921 444 3HD1 ILE 61 3HD1 ILE 61 1.985 -8.561 -6.440 445 H ILE 62 H ILE 62 -2.222 -10.060 -10.243 446 HA ILE 62 HA ILE 62 -3.142 -7.237 -10.491 447 HB ILE 62 HB ILE 62 -2.951 -9.523 -12.501 448 1HG1 ILE 62 1HG1 ILE 62 -0.766 -8.597 -12.086 449 2HG1 ILE 62 2HG1 ILE 62 -1.361 -6.953 -11.991 450 1HG2 ILE 62 1HG2 ILE 62 -3.653 -7.948 -14.326 451 2HG2 ILE 62 2HG2 ILE 62 -4.969 -8.177 -13.176 452 3HG2 ILE 62 3HG2 ILE 62 -4.007 -6.682 -13.124 453 1HD1 ILE 62 1HD1 ILE 62 -1.744 -6.821 -14.438 454 2HD1 ILE 62 2HD1 ILE 62 -0.081 -7.338 -14.091 455 3HD1 ILE 62 3HD1 ILE 62 -1.283 -8.536 -14.626 456 H GLU 63 H GLU 63 -4.587 -10.458 -10.338 457 HA GLU 63 HA GLU 63 -7.373 -9.794 -10.967 458 1HB GLU 63 1HB GLU 63 -6.429 -12.127 -10.906 459 2HB GLU 63 2HB GLU 63 -6.372 -12.058 -9.156 460 1HG GLU 63 1HG GLU 63 -8.431 -13.071 -9.287 461 2HG GLU 63 2HG GLU 63 -9.039 -11.441 -9.521 462 H GLU 64 H GLU 64 -5.390 -9.601 -8.061 463 HA GLU 64 HA GLU 64 -7.449 -9.302 -6.021 464 1HB GLU 64 1HB GLU 64 -4.675 -9.467 -6.004 465 2HB GLU 64 2HB GLU 64 -5.721 -9.277 -4.610 466 1HG GLU 64 1HG GLU 64 -5.456 -6.649 -5.087 467 2HG GLU 64 2HG GLU 64 -4.088 -7.135 -6.073 468 H VAL 65 H VAL 65 -5.650 -6.926 -7.975 469 HA VAL 65 HA VAL 65 -7.613 -4.716 -7.145 470 HB VAL 65 HB VAL 65 -5.539 -4.162 -6.114 471 1HG1 VAL 65 1HG1 VAL 65 -5.634 -2.397 -8.644 472 2HG1 VAL 65 2HG1 VAL 65 -6.798 -2.271 -7.312 473 3HG1 VAL 65 3HG1 VAL 65 -5.076 -1.935 -7.017 474 1HG2 VAL 65 1HG2 VAL 65 -3.333 -4.014 -7.160 475 2HG2 VAL 65 2HG2 VAL 65 -3.987 -5.612 -7.592 476 3HG2 VAL 65 3HG2 VAL 65 -3.998 -4.307 -8.786 477 H ASP 66 H ASP 66 -8.993 -4.927 -8.831 478 HA ASP 66 HA ASP 66 -8.251 -3.829 -11.472 479 1HB ASP 66 1HB ASP 66 -8.092 -6.760 -11.232 480 2HB ASP 66 2HB ASP 66 -9.327 -6.309 -12.385 481 H GLU 67 H GLU 67 -9.896 -2.627 -10.148 482 HA GLU 67 HA GLU 67 -12.751 -3.553 -10.182 483 1HB GLU 67 1HB GLU 67 -11.428 -0.905 -9.438 484 2HB GLU 67 2HB GLU 67 -13.169 -1.031 -9.598 485 1HG GLU 67 1HG GLU 67 -12.604 -3.208 -7.903 486 2HG GLU 67 2HG GLU 67 -11.355 -2.066 -7.438 487 H ASP 68 H ASP 68 -10.547 -1.639 -12.147 488 HA ASP 68 HA ASP 68 -12.631 -0.714 -14.097 489 1HB ASP 68 1HB ASP 68 -10.498 -0.041 -15.496 490 2HB ASP 68 2HB ASP 68 -10.988 0.886 -14.097 491 H GLY 69 H GLY 69 -10.252 -3.295 -13.794 492 1HA GLY 69 1HA GLY 69 -11.693 -5.155 -15.588 493 2HA GLY 69 2HA GLY 69 -10.080 -5.427 -14.915 494 H SER 70 H SER 70 -8.366 -5.252 -16.159 495 HA SER 70 HA SER 70 -8.626 -4.506 -19.086 496 1HB SER 70 1HB SER 70 -8.194 -2.314 -18.292 497 2HB SER 70 2HB SER 70 -6.642 -2.892 -18.904 498 HG SER 70 HG SER 70 -7.513 -2.484 -16.282 499 H GLY 71 H GLY 71 -6.441 -5.361 -16.389 500 1HA GLY 71 1HA GLY 71 -5.259 -7.637 -16.416 501 2HA GLY 71 2HA GLY 71 -5.074 -7.450 -18.166 502 H THR 72 H THR 72 -4.396 -4.623 -18.025 503 HA THR 72 HA THR 72 -1.473 -4.840 -17.199 504 HB THR 72 HB THR 72 -1.138 -2.716 -18.529 505 HG1 THR 72 HG1 THR 72 -3.592 -3.275 -19.751 506 1HG2 THR 72 1HG2 THR 72 -1.182 -3.723 -20.775 507 2HG2 THR 72 2HG2 THR 72 -0.589 -4.932 -19.614 508 3HG2 THR 72 3HG2 THR 72 -2.255 -5.036 -20.240 509 H ILE 73 H ILE 73 -0.516 -3.232 -15.929 510 HA ILE 73 HA ILE 73 -2.391 -1.781 -14.002 511 HB ILE 73 HB ILE 73 0.567 -2.476 -13.627 512 1HG1 ILE 73 1HG1 ILE 73 -1.976 -3.985 -12.902 513 2HG1 ILE 73 2HG1 ILE 73 -0.438 -4.600 -13.467 514 1HG2 ILE 73 1HG2 ILE 73 0.288 -1.764 -11.256 515 2HG2 ILE 73 2HG2 ILE 73 -0.138 -0.423 -12.329 516 3HG2 ILE 73 3HG2 ILE 73 -1.423 -1.360 -11.528 517 1HD1 ILE 73 1HD1 ILE 73 -0.953 -3.621 -10.598 518 2HD1 ILE 73 2HD1 ILE 73 -0.739 -5.295 -11.152 519 3HD1 ILE 73 3HD1 ILE 73 0.629 -4.160 -11.224 520 H ASP 74 H ASP 74 -2.818 -0.180 -15.607 521 HA ASP 74 HA ASP 74 -0.820 1.551 -16.851 522 1HB ASP 74 1HB ASP 74 -2.708 2.035 -17.985 523 2HB ASP 74 2HB ASP 74 -2.965 3.246 -16.751 524 H PHE 75 H PHE 75 -1.115 4.076 -16.314 525 HA PHE 75 HA PHE 75 0.179 4.554 -13.692 526 1HB PHE 75 1HB PHE 75 0.547 5.876 -15.910 527 2HB PHE 75 2HB PHE 75 -0.942 6.715 -15.566 528 HD1 PHE 75 HD1 PHE 75 0.767 5.868 -12.475 529 HD2 PHE 75 HD2 PHE 75 0.738 8.743 -15.677 530 HE1 PHE 75 HE1 PHE 75 1.930 7.494 -11.040 531 HE2 PHE 75 HE2 PHE 75 1.907 10.354 -14.226 532 HZ PHE 75 HZ PHE 75 2.475 9.746 -11.902 533 H GLU 76 H GLU 76 -3.061 4.843 -15.024 534 HA GLU 76 HA GLU 76 -4.285 6.569 -13.007 535 1HB GLU 76 1HB GLU 76 -6.488 5.358 -13.844 536 2HB GLU 76 2HB GLU 76 -5.440 4.662 -15.061 537 1HG GLU 76 1HG GLU 76 -6.462 7.477 -14.809 538 2HG GLU 76 2HG GLU 76 -4.782 7.366 -15.291 539 H GLU 77 H GLU 77 -4.015 3.042 -13.310 540 HA GLU 77 HA GLU 77 -5.513 2.497 -10.755 541 1HB GLU 77 1HB GLU 77 -6.020 0.818 -12.231 542 2HB GLU 77 2HB GLU 77 -4.445 0.811 -12.991 543 1HG GLU 77 1HG GLU 77 -3.457 -0.458 -11.078 544 2HG GLU 77 2HG GLU 77 -4.967 -0.351 -10.180 545 H PHE 78 H PHE 78 -2.201 2.668 -11.892 546 HA PHE 78 HA PHE 78 -0.804 1.306 -9.745 547 1HB PHE 78 1HB PHE 78 0.195 3.714 -11.391 548 2HB PHE 78 2HB PHE 78 0.263 2.053 -11.924 549 HD1 PHE 78 HD1 PHE 78 1.734 4.588 -9.630 550 HD2 PHE 78 HD2 PHE 78 1.916 0.465 -10.845 551 HE1 PHE 78 HE1 PHE 78 3.978 4.382 -8.637 552 HE2 PHE 78 HE2 PHE 78 4.153 0.275 -9.837 553 HZ PHE 78 HZ PHE 78 5.186 2.228 -8.730 554 H LEU 79 H LEU 79 -1.556 4.776 -10.157 555 HA LEU 79 HA LEU 79 -0.451 5.751 -7.652 556 1HB LEU 79 1HB LEU 79 -2.740 6.913 -9.346 557 2HB LEU 79 2HB LEU 79 -2.053 7.734 -7.961 558 HG LEU 79 HG LEU 79 -0.254 6.890 -10.298 559 1HD1 LEU 79 1HD1 LEU 79 0.023 9.218 -8.295 560 2HD1 LEU 79 2HD1 LEU 79 0.807 7.638 -8.104 561 3HD1 LEU 79 3HD1 LEU 79 1.235 8.678 -9.485 562 1HD2 LEU 79 1HD2 LEU 79 -0.602 9.051 -11.416 563 2HD2 LEU 79 2HD2 LEU 79 -2.207 8.311 -11.197 564 3HD2 LEU 79 3HD2 LEU 79 -1.688 9.617 -10.122 565 H VAL 80 H VAL 80 -3.583 4.365 -8.483 566 HA VAL 80 HA VAL 80 -5.031 4.949 -6.000 567 HB VAL 80 HB VAL 80 -5.604 2.498 -7.723 568 1HG1 VAL 80 1HG1 VAL 80 -6.672 5.321 -8.346 569 2HG1 VAL 80 2HG1 VAL 80 -5.311 4.592 -9.210 570 3HG1 VAL 80 3HG1 VAL 80 -6.914 3.826 -9.287 571 1HG2 VAL 80 1HG2 VAL 80 -7.946 2.811 -7.071 572 2HG2 VAL 80 2HG2 VAL 80 -6.983 2.829 -5.575 573 3HG2 VAL 80 3HG2 VAL 80 -7.584 4.350 -6.251 574 H MET 81 H MET 81 -2.928 2.305 -7.076 575 HA MET 81 HA MET 81 -3.205 0.426 -4.862 576 1HB MET 81 1HB MET 81 -0.482 0.790 -6.161 577 2HB MET 81 2HB MET 81 -1.823 0.286 -7.174 578 1HG MET 81 1HG MET 81 -2.019 -1.830 -6.159 579 2HG MET 81 2HG MET 81 -1.415 -1.268 -4.591 580 1HE MET 81 1HE MET 81 -0.424 -3.969 -5.671 581 2HE MET 81 2HE MET 81 1.361 -3.883 -5.590 582 3HE MET 81 3HE MET 81 0.378 -3.259 -4.234 583 H MET 82 H MET 82 -0.486 2.684 -5.397 584 HA MET 82 HA MET 82 0.710 2.491 -2.794 585 1HB MET 82 1HB MET 82 0.803 5.022 -4.529 586 2HB MET 82 2HB MET 82 1.964 4.523 -3.313 587 1HG MET 82 1HG MET 82 1.684 3.622 -6.171 588 2HG MET 82 2HG MET 82 3.133 3.861 -5.187 589 1HE MET 82 1HE MET 82 4.055 2.403 -3.465 590 2HE MET 82 2HE MET 82 3.884 0.622 -3.442 591 3HE MET 82 3HE MET 82 2.739 1.639 -2.518 592 H VAL 83 H VAL 83 -2.015 4.404 -3.899 593 HA VAL 83 HA VAL 83 -2.095 6.418 -1.769 594 HB VAL 83 HB VAL 83 -3.772 5.729 -4.070 595 1HG1 VAL 83 1HG1 VAL 83 -3.605 8.395 -2.532 596 2HG1 VAL 83 2HG1 VAL 83 -2.386 7.877 -3.706 597 3HG1 VAL 83 3HG1 VAL 83 -4.063 8.143 -4.237 598 1HG2 VAL 83 1HG2 VAL 83 -5.965 6.509 -3.331 599 2HG2 VAL 83 2HG2 VAL 83 -5.504 5.193 -2.226 600 3HG2 VAL 83 3HG2 VAL 83 -5.368 6.875 -1.691 601 NH1 ARG 84 NH1 ARG 84 -9.107 -0.590 -3.555 602 NH2 ARG 84 NH2 ARG 84 -8.270 -2.668 -3.181 603 H ARG 84 H ARG 84 -3.616 3.237 -2.216 604 HA ARG 84 HA ARG 84 -5.421 3.223 0.094 605 1HB ARG 84 1HB ARG 84 -4.216 1.041 -1.661 606 2HB ARG 84 2HB ARG 84 -4.975 0.583 -0.144 607 1HG ARG 84 1HG ARG 84 -6.602 2.466 -1.850 608 2HG ARG 84 2HG ARG 84 -7.133 1.122 -0.836 609 1HD ARG 84 1HD ARG 84 -5.463 0.363 -3.248 610 2HD ARG 84 2HD ARG 84 -7.067 1.006 -3.604 611 HE ARG 84 HE ARG 84 -6.666 -1.385 -1.721 612 1HH1 ARG 84 1HH1 ARG 84 -7.496 -3.239 -2.824 613 2HH1 ARG 84 2HH1 ARG 84 -9.144 -3.007 -3.599 614 1HH2 ARG 84 1HH2 ARG 84 -8.951 0.424 -3.531 615 2HH2 ARG 84 2HH2 ARG 84 -9.940 -1.076 -3.906 616 H GLN 85 H GLN 85 -2.020 2.323 -0.339 617 HA GLN 85 HA GLN 85 -1.566 1.269 2.399 618 1HB GLN 85 1HB GLN 85 0.929 1.630 1.757 619 2HB GLN 85 2HB GLN 85 0.352 2.168 0.191 620 1HG GLN 85 1HG GLN 85 -1.009 -0.279 0.494 621 2HG GLN 85 2HG GLN 85 0.405 0.013 -0.495 622 1HE2 GLN 85 1HE2 GLN 85 2.598 -1.295 2.320 623 2HE2 GLN 85 2HE2 GLN 85 2.445 0.274 1.381 624 H MET 86 H MET 86 -1.346 4.400 0.803 625 HA MET 86 HA MET 86 0.248 5.932 2.654 626 1HB MET 86 1HB MET 86 -1.832 7.696 1.704 627 2HB MET 86 2HB MET 86 -1.519 6.549 0.414 628 1HG MET 86 1HG MET 86 1.005 7.645 1.610 629 2HG MET 86 2HG MET 86 0.546 7.432 -0.088 630 1HE MET 86 1HE MET 86 -2.269 8.910 -0.399 631 2HE MET 86 2HE MET 86 -1.756 10.572 -0.814 632 3HE MET 86 3HE MET 86 -0.916 9.173 -1.544 633 H LYS 87 H LYS 87 -3.212 5.154 2.659 634 HA LYS 87 HA LYS 87 -3.712 6.464 5.352 635 1HB LYS 87 1HB LYS 87 -5.511 5.075 3.311 636 2HB LYS 87 2HB LYS 87 -6.025 5.165 4.990 637 1HG LYS 87 1HG LYS 87 -5.809 7.363 2.955 638 2HG LYS 87 2HG LYS 87 -5.299 7.822 4.571 639 1HD LYS 87 1HD LYS 87 -8.020 7.349 3.490 640 2HD LYS 87 2HD LYS 87 -7.745 6.383 4.935 641 1HE LYS 87 1HE LYS 87 -8.526 8.325 5.985 642 2HE LYS 87 2HE LYS 87 -6.808 8.745 5.941 643 1HZ LYS 87 1HZ LYS 87 -8.954 9.696 4.141 644 2HZ LYS 87 2HZ LYS 87 -7.370 9.796 3.681 645 3HZ LYS 87 3HZ LYS 87 -7.887 10.580 5.040 646 H GLU 88 H GLU 88 -4.708 5.157 7.058 647 HA GLU 88 HA GLU 88 -3.864 2.227 7.149 648 1HB GLU 88 1HB GLU 88 -1.985 3.474 8.122 649 2HB GLU 88 2HB GLU 88 -3.043 4.317 9.236 650 1HG GLU 88 1HG GLU 88 -3.278 2.448 10.664 651 2HG GLU 88 2HG GLU 88 -3.067 1.278 9.373 652 H ASP 89 H ASP 89 -6.348 2.851 6.640 653 HA ASP 89 HA ASP 89 -7.988 3.046 9.193 654 1HB ASP 89 1HB ASP 89 -8.779 3.271 6.245 655 2HB ASP 89 2HB ASP 89 -8.810 4.512 7.476 656 H ALA 90 H ALA 90 -8.778 1.199 6.286 657 HA ALA 90 HA ALA 90 -9.628 -1.214 7.785 658 1HB ALA 90 1HB ALA 90 -9.998 -2.249 5.530 659 2HB ALA 90 2HB ALA 90 -10.705 -0.623 5.598 660 3HB ALA 90 3HB ALA 90 -9.170 -0.886 4.736 Start of MODEL 12 Raw file had 660 H/Q atoms Start of MODEL 12 1 1H ALA 1 1H ALA 1 -22.471 7.082 -17.175 2 2H ALA 1 2H ALA 1 -22.376 6.922 -18.846 3 3H ALA 1 3H ALA 1 -23.797 6.517 -18.041 4 HA ALA 1 HA ALA 1 -23.028 4.587 -17.210 5 1HB ALA 1 1HB ALA 1 -21.582 3.533 -19.160 6 2HB ALA 1 2HB ALA 1 -21.790 5.097 -19.971 7 3HB ALA 1 3HB ALA 1 -23.217 4.115 -19.552 8 H SER 2 H SER 2 -21.098 3.163 -16.813 9 HA SER 2 HA SER 2 -19.065 2.734 -15.597 10 1HB SER 2 1HB SER 2 -17.136 3.551 -16.518 11 2HB SER 2 2HB SER 2 -18.240 4.026 -17.811 12 HG SER 2 HG SER 2 -17.194 5.592 -15.704 13 H MET 3 H MET 3 -17.488 3.946 -14.039 14 HA MET 3 HA MET 3 -18.844 6.200 -12.487 15 1HB MET 3 1HB MET 3 -18.239 3.404 -11.450 16 2HB MET 3 2HB MET 3 -18.123 4.761 -10.345 17 1HG MET 3 1HG MET 3 -20.665 4.335 -12.023 18 2HG MET 3 2HG MET 3 -20.393 3.444 -10.520 19 1HE MET 3 1HE MET 3 -22.673 6.183 -11.463 20 2HE MET 3 2HE MET 3 -23.008 6.413 -9.721 21 3HE MET 3 3HE MET 3 -22.876 4.761 -10.391 22 H THR 4 H THR 4 -16.021 4.025 -12.725 23 HA THR 4 HA THR 4 -13.691 4.347 -12.420 24 HB THR 4 HB THR 4 -12.662 6.189 -13.529 25 HG1 THR 4 HG1 THR 4 -14.637 7.644 -14.371 26 1HG2 THR 4 1HG2 THR 4 -14.142 6.380 -15.739 27 2HG2 THR 4 2HG2 THR 4 -15.088 5.065 -15.007 28 3HG2 THR 4 3HG2 THR 4 -13.352 4.839 -15.343 29 H ASP 5 H ASP 5 -14.986 4.484 -10.089 30 HA ASP 5 HA ASP 5 -14.588 6.893 -8.463 31 1HB ASP 5 1HB ASP 5 -14.569 4.195 -7.088 32 2HB ASP 5 2HB ASP 5 -15.992 4.609 -8.016 33 H GLN 6 H GLN 6 -12.594 4.112 -9.260 34 HA GLN 6 HA GLN 6 -10.497 4.197 -7.305 35 1HB GLN 6 1HB GLN 6 -8.989 3.398 -9.356 36 2HB GLN 6 2HB GLN 6 -10.206 2.365 -8.629 37 1HG GLN 6 1HG GLN 6 -11.527 2.315 -10.511 38 2HG GLN 6 2HG GLN 6 -11.298 4.011 -10.877 39 1HE2 GLN 6 1HE2 GLN 6 -8.298 1.465 -12.279 40 2HE2 GLN 6 2HE2 GLN 6 -8.999 1.237 -10.599 41 H GLN 7 H GLN 7 -9.878 5.395 -10.591 42 HA GLN 7 HA GLN 7 -7.644 7.140 -9.837 43 1HB GLN 7 1HB GLN 7 -8.462 6.158 -12.253 44 2HB GLN 7 2HB GLN 7 -7.349 7.504 -12.052 45 1HG GLN 7 1HG GLN 7 -10.210 8.375 -12.117 46 2HG GLN 7 2HG GLN 7 -8.802 9.083 -12.896 47 1HE2 GLN 7 1HE2 GLN 7 -10.454 5.793 -14.885 48 2HE2 GLN 7 2HE2 GLN 7 -10.162 5.743 -13.075 49 H ALA 8 H ALA 8 -11.116 7.634 -10.090 50 HA ALA 8 HA ALA 8 -11.395 10.478 -10.223 51 1HB ALA 8 1HB ALA 8 -13.592 10.182 -9.090 52 2HB ALA 8 2HB ALA 8 -13.328 8.934 -10.324 53 3HB ALA 8 3HB ALA 8 -13.152 8.529 -8.598 54 H GLU 9 H GLU 9 -10.782 8.411 -7.393 55 HA GLU 9 HA GLU 9 -10.829 10.661 -5.415 56 1HB GLU 9 1HB GLU 9 -10.345 7.654 -5.177 57 2HB GLU 9 2HB GLU 9 -9.812 8.713 -3.880 58 1HG GLU 9 1HG GLU 9 -12.525 9.538 -4.428 59 2HG GLU 9 2HG GLU 9 -12.541 7.779 -4.460 60 H ALA 10 H ALA 10 -8.307 8.282 -6.322 61 HA ALA 10 HA ALA 10 -6.058 9.421 -4.959 62 1HB ALA 10 1HB ALA 10 -4.628 8.147 -6.548 63 2HB ALA 10 2HB ALA 10 -6.006 7.173 -6.002 64 3HB ALA 10 3HB ALA 10 -6.011 7.883 -7.636 65 NH1 ARG 11 NH1 ARG 11 -6.443 12.694 -14.739 66 NH2 ARG 11 NH2 ARG 11 -4.475 13.793 -15.027 67 H ARG 11 H ARG 11 -7.664 10.493 -7.862 68 HA ARG 11 HA ARG 11 -5.446 12.119 -9.032 69 1HB ARG 11 1HB ARG 11 -8.127 11.294 -9.849 70 2HB ARG 11 2HB ARG 11 -8.026 13.044 -9.962 71 1HG ARG 11 1HG ARG 11 -5.717 11.451 -11.134 72 2HG ARG 11 2HG ARG 11 -7.252 11.449 -12.005 73 1HD ARG 11 1HD ARG 11 -7.221 13.815 -12.385 74 2HD ARG 11 2HD ARG 11 -6.074 14.132 -11.082 75 HE ARG 11 HE ARG 11 -4.233 13.349 -12.564 76 1HH1 ARG 11 1HH1 ARG 11 -7.130 12.305 -14.084 77 2HH1 ARG 11 2HH1 ARG 11 -6.495 12.683 -15.763 78 1HH2 ARG 11 1HH2 ARG 11 -3.650 14.222 -14.593 79 2HH2 ARG 11 2HH2 ARG 11 -4.677 13.725 -16.031 80 H ALA 12 H ALA 12 -8.452 12.804 -7.238 81 HA ALA 12 HA ALA 12 -8.303 15.722 -7.245 82 1HB ALA 12 1HB ALA 12 -9.972 15.660 -5.405 83 2HB ALA 12 2HB ALA 12 -10.401 14.526 -6.702 84 3HB ALA 12 3HB ALA 12 -9.706 13.914 -5.180 85 H PHE 13 H PHE 13 -6.866 13.257 -5.180 86 HA PHE 13 HA PHE 13 -5.972 15.118 -3.018 87 1HB PHE 13 1HB PHE 13 -5.237 12.178 -3.526 88 2HB PHE 13 2HB PHE 13 -6.602 12.721 -2.586 89 HD1 PHE 13 HD1 PHE 13 -6.100 12.107 -0.327 90 HD2 PHE 13 HD2 PHE 13 -3.019 14.023 -2.642 91 HE1 PHE 13 HE1 PHE 13 -4.620 12.127 1.639 92 HE2 PHE 13 HE2 PHE 13 -1.554 14.031 -0.667 93 HZ PHE 13 HZ PHE 13 -2.347 13.085 1.473 94 H LEU 14 H LEU 14 -4.430 13.199 -5.608 95 HA LEU 14 HA LEU 14 -1.736 14.553 -5.192 96 1HB LEU 14 1HB LEU 14 -2.285 12.372 -7.261 97 2HB LEU 14 2HB LEU 14 -0.756 12.837 -6.548 98 HG LEU 14 HG LEU 14 -2.774 11.787 -4.570 99 1HD1 LEU 14 1HD1 LEU 14 -2.462 9.398 -5.227 100 2HD1 LEU 14 2HD1 LEU 14 -3.281 10.301 -6.515 101 3HD1 LEU 14 3HD1 LEU 14 -1.556 9.888 -6.682 102 1HD2 LEU 14 1HD2 LEU 14 0.209 11.127 -5.067 103 2HD2 LEU 14 2HD2 LEU 14 -0.426 12.260 -3.849 104 3HD2 LEU 14 3HD2 LEU 14 -0.774 10.531 -3.706 105 H SER 15 H SER 15 -1.624 16.450 -6.124 106 HA SER 15 HA SER 15 -3.145 17.430 -8.418 107 1HB SER 15 1HB SER 15 -2.041 18.849 -6.614 108 2HB SER 15 2HB SER 15 -1.861 19.437 -8.269 109 HG SER 15 HG SER 15 0.028 19.206 -6.707 110 H GLU 16 H GLU 16 -1.255 18.643 -10.047 111 HA GLU 16 HA GLU 16 -0.587 16.421 -11.938 112 1HB GLU 16 1HB GLU 16 -0.122 19.436 -12.245 113 2HB GLU 16 2HB GLU 16 -1.588 18.592 -12.704 114 1HG GLU 16 1HG GLU 16 1.168 17.911 -13.913 115 2HG GLU 16 2HG GLU 16 0.115 19.145 -14.583 116 H GLU 17 H GLU 17 1.063 18.644 -9.776 117 HA GLU 17 HA GLU 17 3.828 18.075 -10.785 118 1HB GLU 17 1HB GLU 17 2.665 19.886 -8.698 119 2HB GLU 17 2HB GLU 17 3.817 20.221 -9.976 120 1HG GLU 17 1HG GLU 17 4.339 19.072 -7.185 121 2HG GLU 17 2HG GLU 17 5.495 18.747 -8.465 122 H MET 18 H MET 18 1.713 17.046 -8.158 123 HA MET 18 HA MET 18 3.647 15.421 -6.603 124 1HB MET 18 1HB MET 18 1.233 14.189 -6.063 125 2HB MET 18 2HB MET 18 0.659 15.750 -6.619 126 1HG MET 18 1HG MET 18 1.492 16.907 -4.764 127 2HG MET 18 2HG MET 18 2.895 15.842 -4.575 128 1HE MET 18 1HE MET 18 -1.129 15.843 -4.381 129 2HE MET 18 2HE MET 18 -1.269 15.374 -2.661 130 3HE MET 18 3HE MET 18 -0.406 16.875 -3.108 131 H ILE 19 H ILE 19 1.527 14.906 -9.377 132 HA ILE 19 HA ILE 19 1.693 11.984 -9.568 133 HB ILE 19 HB ILE 19 0.844 14.167 -11.472 134 1HG1 ILE 19 1HG1 ILE 19 -0.742 11.613 -11.081 135 2HG1 ILE 19 2HG1 ILE 19 -1.300 13.263 -11.262 136 1HG2 ILE 19 1HG2 ILE 19 0.493 12.560 -13.364 137 2HG2 ILE 19 2HG2 ILE 19 2.210 12.687 -12.985 138 3HG2 ILE 19 3HG2 ILE 19 1.293 11.263 -12.442 139 1HD1 ILE 19 1HD1 ILE 19 -0.763 13.831 -8.909 140 2HD1 ILE 19 2HD1 ILE 19 -1.787 12.382 -8.985 141 3HD1 ILE 19 3HD1 ILE 19 -0.046 12.216 -8.657 142 H ALA 20 H ALA 20 3.684 14.667 -10.724 143 HA ALA 20 HA ALA 20 5.442 13.261 -12.560 144 1HB ALA 20 1HB ALA 20 6.973 15.211 -12.303 145 2HB ALA 20 2HB ALA 20 5.288 15.730 -12.504 146 3HB ALA 20 3HB ALA 20 6.051 15.787 -10.895 147 H GLU 21 H GLU 21 5.554 13.725 -9.055 148 HA GLU 21 HA GLU 21 8.274 12.901 -8.438 149 1HB GLU 21 1HB GLU 21 5.716 12.666 -6.773 150 2HB GLU 21 2HB GLU 21 6.870 13.984 -6.760 151 1HG GLU 21 1HG GLU 21 7.034 11.261 -5.445 152 2HG GLU 21 2HG GLU 21 8.553 11.890 -6.059 153 H PHE 22 H PHE 22 5.320 11.115 -9.132 154 HA PHE 22 HA PHE 22 6.539 8.417 -8.514 155 1HB PHE 22 1HB PHE 22 3.699 9.083 -9.509 156 2HB PHE 22 2HB PHE 22 4.268 7.510 -9.020 157 HD1 PHE 22 HD1 PHE 22 5.766 7.905 -6.517 158 HD2 PHE 22 HD2 PHE 22 2.158 9.842 -7.843 159 HE1 PHE 22 HE1 PHE 22 5.222 8.504 -4.195 160 HE2 PHE 22 HE2 PHE 22 1.628 10.425 -5.511 161 HZ PHE 22 HZ PHE 22 3.181 9.805 -3.691 162 H LYS 23 H LYS 23 5.880 10.495 -11.229 163 HA LYS 23 HA LYS 23 5.476 8.823 -13.486 164 1HB LYS 23 1HB LYS 23 6.402 11.540 -13.092 165 2HB LYS 23 2HB LYS 23 7.521 10.794 -14.211 166 1HG LYS 23 1HG LYS 23 4.908 10.058 -15.170 167 2HG LYS 23 2HG LYS 23 4.772 11.726 -14.642 168 1HD LYS 23 1HD LYS 23 7.105 10.899 -16.449 169 2HD LYS 23 2HD LYS 23 6.452 12.519 -16.181 170 1HE LYS 23 1HE LYS 23 5.831 11.010 -18.399 171 2HE LYS 23 2HE LYS 23 4.515 10.479 -17.343 172 1HZ LYS 23 1HZ LYS 23 3.688 12.646 -17.195 173 2HZ LYS 23 2HZ LYS 23 4.177 12.564 -18.771 174 3HZ LYS 23 3HZ LYS 23 5.100 13.367 -17.661 175 H ALA 24 H ALA 24 8.559 9.576 -11.871 176 HA ALA 24 HA ALA 24 10.379 8.258 -13.715 177 1HB ALA 24 1HB ALA 24 12.040 8.338 -11.866 178 2HB ALA 24 2HB ALA 24 11.165 9.874 -12.009 179 3HB ALA 24 3HB ALA 24 10.763 8.741 -10.693 180 H ALA 25 H ALA 25 9.665 7.077 -10.421 181 HA ALA 25 HA ALA 25 10.737 4.445 -10.619 182 1HB ALA 25 1HB ALA 25 9.314 3.848 -8.669 183 2HB ALA 25 2HB ALA 25 10.034 5.456 -8.468 184 3HB ALA 25 3HB ALA 25 8.315 5.301 -8.910 185 H PHE 26 H PHE 26 7.690 5.674 -11.823 186 HA PHE 26 HA PHE 26 6.154 3.180 -12.052 187 1HB PHE 26 1HB PHE 26 4.871 5.184 -12.197 188 2HB PHE 26 2HB PHE 26 5.875 5.893 -13.434 189 HD1 PHE 26 HD1 PHE 26 4.299 6.255 -15.228 190 HD2 PHE 26 HD2 PHE 26 4.447 2.377 -13.372 191 HE1 PHE 26 HE1 PHE 26 2.635 5.411 -16.834 192 HE2 PHE 26 HE2 PHE 26 2.779 1.551 -14.985 193 HZ PHE 26 HZ PHE 26 1.871 3.063 -16.715 194 H ASP 27 H ASP 27 8.042 5.038 -14.465 195 HA ASP 27 HA ASP 27 7.838 3.098 -16.669 196 1HB ASP 27 1HB ASP 27 9.752 5.429 -16.176 197 2HB ASP 27 2HB ASP 27 8.408 5.336 -17.290 198 H MET 28 H MET 28 10.096 3.585 -13.997 199 HA MET 28 HA MET 28 12.230 1.770 -14.576 200 1HB MET 28 1HB MET 28 11.059 1.808 -11.753 201 2HB MET 28 2HB MET 28 11.820 3.243 -12.418 202 1HG MET 28 1HG MET 28 13.261 0.520 -12.254 203 2HG MET 28 2HG MET 28 13.984 2.075 -12.701 204 1HE MET 28 1HE MET 28 12.870 -0.307 -9.846 205 2HE MET 28 2HE MET 28 12.613 0.774 -8.444 206 3HE MET 28 3HE MET 28 11.456 0.793 -9.808 207 H PHE 29 H PHE 29 8.988 1.096 -13.300 208 HA PHE 29 HA PHE 29 9.288 -1.821 -12.914 209 1HB PHE 29 1HB PHE 29 6.870 0.032 -13.105 210 2HB PHE 29 2HB PHE 29 6.622 -1.688 -13.230 211 HD1 PHE 29 HD1 PHE 29 7.983 0.985 -10.959 212 HD2 PHE 29 HD2 PHE 29 6.712 -3.118 -11.243 213 HE1 PHE 29 HE1 PHE 29 7.935 0.817 -8.504 214 HE2 PHE 29 HE2 PHE 29 6.679 -3.265 -8.787 215 HZ PHE 29 HZ PHE 29 7.279 -1.302 -7.415 216 H ASP 30 H ASP 30 7.985 0.235 -15.525 217 HA ASP 30 HA ASP 30 7.180 -1.738 -17.448 218 1HB ASP 30 1HB ASP 30 8.544 0.798 -18.442 219 2HB ASP 30 2HB ASP 30 7.057 0.929 -17.531 220 H ALA 31 H ALA 31 8.273 -2.466 -19.382 221 HA ALA 31 HA ALA 31 11.312 -2.814 -19.114 222 1HB ALA 31 1HB ALA 31 11.059 -5.198 -19.816 223 2HB ALA 31 2HB ALA 31 10.204 -4.864 -18.297 224 3HB ALA 31 3HB ALA 31 9.286 -5.040 -19.815 225 H ASP 32 H ASP 32 8.452 -2.906 -21.221 226 HA ASP 32 HA ASP 32 10.102 -2.866 -23.762 227 1HB ASP 32 1HB ASP 32 8.359 -4.289 -24.228 228 2HB ASP 32 2HB ASP 32 7.693 -2.794 -24.844 229 H GLY 33 H GLY 33 7.914 -0.838 -21.857 230 1HA GLY 33 1HA GLY 33 7.830 1.597 -21.693 231 2HA GLY 33 2HA GLY 33 9.152 1.654 -22.836 232 H GLY 34 H GLY 34 5.653 1.268 -22.489 233 1HA GLY 34 1HA GLY 34 4.263 1.047 -24.797 234 2HA GLY 34 2HA GLY 34 5.212 2.461 -25.272 235 H GLY 35 H GLY 35 3.825 1.689 -22.092 236 1HA GLY 35 1HA GLY 35 1.628 3.722 -22.163 237 2HA GLY 35 2HA GLY 35 3.064 4.342 -21.337 238 H ASP 36 H ASP 36 1.655 1.071 -21.427 239 HA ASP 36 HA ASP 36 0.971 1.235 -18.455 240 1HB ASP 36 1HB ASP 36 -0.503 -0.756 -18.833 241 2HB ASP 36 2HB ASP 36 -0.987 0.676 -19.712 242 H ILE 37 H ILE 37 0.943 -1.369 -17.765 243 HA ILE 37 HA ILE 37 3.720 -2.521 -18.287 244 HB ILE 37 HB ILE 37 2.652 -2.331 -15.447 245 1HG1 ILE 37 1HG1 ILE 37 4.845 -0.461 -16.527 246 2HG1 ILE 37 2HG1 ILE 37 3.164 0.023 -16.414 247 1HG2 ILE 37 1HG2 ILE 37 4.914 -3.029 -14.763 248 2HG2 ILE 37 2HG2 ILE 37 4.260 -4.185 -15.932 249 3HG2 ILE 37 3HG2 ILE 37 5.484 -3.000 -16.449 250 1HD1 ILE 37 1HD1 ILE 37 4.915 -0.761 -14.007 251 2HD1 ILE 37 2HD1 ILE 37 4.339 0.861 -14.447 252 3HD1 ILE 37 3HD1 ILE 37 3.176 -0.374 -13.914 253 H SER 38 H SER 38 3.683 -4.568 -18.720 254 HA SER 38 HA SER 38 1.180 -6.230 -18.420 255 1HB SER 38 1HB SER 38 2.221 -7.850 -19.827 256 2HB SER 38 2HB SER 38 2.639 -6.276 -20.509 257 HG SER 38 HG SER 38 4.517 -7.226 -20.428 258 H THR 39 H THR 39 1.617 -8.546 -17.657 259 HA THR 39 HA THR 39 2.470 -8.480 -14.805 260 HB THR 39 HB THR 39 2.034 -11.150 -15.211 261 HG1 THR 39 HG1 THR 39 0.096 -11.068 -16.581 262 1HG2 THR 39 1HG2 THR 39 -0.257 -10.850 -14.380 263 2HG2 THR 39 2HG2 THR 39 0.809 -9.705 -13.533 264 3HG2 THR 39 3HG2 THR 39 -0.264 -9.131 -14.837 265 H LYS 40 H LYS 40 3.789 -9.596 -17.863 266 HA LYS 40 HA LYS 40 5.929 -11.311 -16.992 267 1HB LYS 40 1HB LYS 40 6.015 -9.405 -19.389 268 2HB LYS 40 2HB LYS 40 5.144 -10.916 -19.406 269 1HG LYS 40 1HG LYS 40 8.069 -10.275 -19.640 270 2HG LYS 40 2HG LYS 40 7.779 -11.640 -18.594 271 1HD LYS 40 1HD LYS 40 7.190 -11.441 -21.605 272 2HD LYS 40 2HD LYS 40 8.287 -12.483 -20.748 273 1HE LYS 40 1HE LYS 40 6.770 -14.113 -20.902 274 2HE LYS 40 2HE LYS 40 5.902 -13.331 -19.587 275 1HZ LYS 40 1HZ LYS 40 4.263 -13.415 -21.147 276 2HZ LYS 40 2HZ LYS 40 5.286 -13.405 -22.445 277 3HZ LYS 40 3HZ LYS 40 4.911 -11.991 -21.677 278 H GLU 41 H GLU 41 5.758 -7.774 -17.327 279 HA GLU 41 HA GLU 41 8.611 -7.285 -16.587 280 1HB GLU 41 1HB GLU 41 8.271 -5.008 -16.993 281 2HB GLU 41 2HB GLU 41 6.564 -5.060 -16.607 282 1HG GLU 41 1HG GLU 41 7.951 -5.651 -19.221 283 2HG GLU 41 2HG GLU 41 6.597 -6.695 -18.847 284 H LEU 42 H LEU 42 5.432 -6.756 -15.054 285 HA LEU 42 HA LEU 42 6.213 -5.377 -12.646 286 1HB LEU 42 1HB LEU 42 3.876 -7.210 -13.316 287 2HB LEU 42 2HB LEU 42 4.137 -6.788 -11.638 288 HG LEU 42 HG LEU 42 3.827 -4.662 -13.844 289 1HD1 LEU 42 1HD1 LEU 42 1.440 -4.431 -13.105 290 2HD1 LEU 42 2HD1 LEU 42 1.751 -6.034 -13.788 291 3HD1 LEU 42 3HD1 LEU 42 1.624 -5.834 -12.023 292 1HD2 LEU 42 1HD2 LEU 42 3.553 -4.421 -10.770 293 2HD2 LEU 42 2HD2 LEU 42 4.904 -3.798 -11.751 294 3HD2 LEU 42 3HD2 LEU 42 3.281 -3.114 -11.952 295 H GLY 43 H GLY 43 6.074 -8.852 -13.364 296 1HA GLY 43 1HA GLY 43 6.917 -10.807 -12.212 297 2HA GLY 43 2HA GLY 43 6.565 -9.933 -10.717 298 H THR 44 H THR 44 8.814 -8.911 -13.256 299 HA THR 44 HA THR 44 11.259 -10.021 -12.127 300 HB THR 44 HB THR 44 10.675 -8.009 -14.275 301 HG1 THR 44 HG1 THR 44 11.369 -10.499 -14.044 302 1HG2 THR 44 1HG2 THR 44 13.093 -7.490 -14.645 303 2HG2 THR 44 2HG2 THR 44 12.508 -6.777 -13.127 304 3HG2 THR 44 3HG2 THR 44 13.509 -8.252 -13.089 305 H VAL 45 H VAL 45 9.829 -6.768 -11.896 306 HA VAL 45 HA VAL 45 11.940 -5.433 -10.430 307 HB VAL 45 HB VAL 45 9.150 -4.794 -11.121 308 1HG1 VAL 45 1HG1 VAL 45 8.759 -3.034 -9.393 309 2HG1 VAL 45 2HG1 VAL 45 8.806 -4.634 -8.643 310 3HG1 VAL 45 3HG1 VAL 45 10.210 -3.553 -8.497 311 1HG2 VAL 45 1HG2 VAL 45 11.614 -2.977 -10.685 312 2HG2 VAL 45 2HG2 VAL 45 11.097 -3.674 -12.238 313 3HG2 VAL 45 3HG2 VAL 45 10.069 -2.485 -11.427 314 H MET 46 H MET 46 8.810 -6.517 -9.049 315 HA MET 46 HA MET 46 9.565 -6.201 -6.251 316 1HB MET 46 1HB MET 46 7.570 -7.818 -5.800 317 2HB MET 46 2HB MET 46 7.339 -7.863 -7.539 318 1HG MET 46 1HG MET 46 5.879 -6.122 -7.086 319 2HG MET 46 2HG MET 46 7.345 -5.140 -7.245 320 1HE MET 46 1HE MET 46 4.518 -4.537 -5.511 321 2HE MET 46 2HE MET 46 5.215 -3.702 -4.093 322 3HE MET 46 3HE MET 46 5.793 -3.299 -5.736 323 NH1 ARG 47 NH1 ARG 47 7.445 -11.816 -4.120 324 NH2 ARG 47 NH2 ARG 47 5.884 -10.245 -4.628 325 H ARG 47 H ARG 47 9.196 -9.208 -8.156 326 HA ARG 47 HA ARG 47 10.137 -11.084 -6.148 327 1HB ARG 47 1HB ARG 47 10.373 -11.514 -9.183 328 2HB ARG 47 2HB ARG 47 10.329 -12.737 -7.919 329 1HG ARG 47 1HG ARG 47 8.122 -12.451 -9.150 330 2HG ARG 47 2HG ARG 47 7.991 -10.818 -8.493 331 1HD ARG 47 1HD ARG 47 7.218 -13.325 -7.210 332 2HD ARG 47 2HD ARG 47 8.533 -12.637 -6.270 333 HE ARG 47 HE ARG 47 6.215 -10.799 -6.938 334 1HH1 ARG 47 1HH1 ARG 47 8.100 -12.527 -4.463 335 2HH1 ARG 47 2HH1 ARG 47 7.279 -11.555 -3.142 336 1HH2 ARG 47 1HH2 ARG 47 5.348 -9.756 -5.354 337 2HH2 ARG 47 2HH2 ARG 47 5.827 -10.093 -3.615 338 H MET 48 H MET 48 11.918 -8.880 -8.144 339 HA MET 48 HA MET 48 14.479 -9.996 -8.581 340 1HB MET 48 1HB MET 48 15.340 -7.882 -8.833 341 2HB MET 48 2HB MET 48 13.631 -7.502 -8.928 342 1HG MET 48 1HG MET 48 13.918 -5.970 -7.265 343 2HG MET 48 2HG MET 48 14.242 -7.292 -6.131 344 1HE MET 48 1HE MET 48 15.548 -4.469 -5.569 345 2HE MET 48 2HE MET 48 17.089 -4.110 -6.402 346 3HE MET 48 3HE MET 48 15.549 -4.038 -7.307 347 H LEU 49 H LEU 49 12.979 -9.186 -5.518 348 HA LEU 49 HA LEU 49 15.086 -8.866 -3.665 349 1HB LEU 49 1HB LEU 49 12.600 -8.844 -3.133 350 2HB LEU 49 2HB LEU 49 13.644 -9.544 -1.914 351 HG LEU 49 HG LEU 49 12.990 -11.884 -2.784 352 1HD1 LEU 49 1HD1 LEU 49 10.772 -10.365 -4.297 353 2HD1 LEU 49 2HD1 LEU 49 12.184 -11.103 -5.075 354 3HD1 LEU 49 3HD1 LEU 49 11.003 -12.130 -4.225 355 1HD2 LEU 49 1HD2 LEU 49 10.869 -11.960 -1.541 356 2HD2 LEU 49 2HD2 LEU 49 11.915 -10.773 -0.725 357 3HD2 LEU 49 3HD2 LEU 49 10.601 -10.213 -1.769 358 H GLY 50 H GLY 50 13.712 -12.010 -4.701 359 1HA GLY 50 1HA GLY 50 15.135 -13.916 -3.215 360 2HA GLY 50 2HA GLY 50 16.386 -13.387 -4.340 361 H GLN 51 H GLN 51 13.154 -14.802 -4.173 362 HA GLN 51 HA GLN 51 13.807 -16.718 -6.407 363 1HB GLN 51 1HB GLN 51 11.158 -16.617 -4.878 364 2HB GLN 51 2HB GLN 51 11.867 -17.961 -5.754 365 1HG GLN 51 1HG GLN 51 13.566 -16.938 -3.491 366 2HG GLN 51 2HG GLN 51 13.275 -18.582 -4.013 367 1HE2 GLN 51 1HE2 GLN 51 11.534 -17.814 -0.658 368 2HE2 GLN 51 2HE2 GLN 51 13.174 -17.315 -1.313 369 H ASN 52 H ASN 52 11.707 -17.196 -7.809 370 HA ASN 52 HA ASN 52 10.381 -14.663 -8.776 371 1HB ASN 52 1HB ASN 52 12.692 -15.294 -10.016 372 2HB ASN 52 2HB ASN 52 11.677 -16.376 -10.944 373 1HD2 ASN 52 1HD2 ASN 52 11.892 -12.935 -12.593 374 2HD2 ASN 52 2HD2 ASN 52 13.138 -14.080 -11.884 375 HA PRO 53 HA PRO 53 7.217 -18.281 -8.618 376 1HB PRO 53 1HB PRO 53 5.201 -17.199 -7.968 377 2HB PRO 53 2HB PRO 53 5.494 -15.832 -9.052 378 1HG PRO 53 1HG PRO 53 6.104 -14.764 -7.077 379 2HG PRO 53 2HG PRO 53 6.633 -16.249 -6.253 380 1HD PRO 53 1HD PRO 53 8.807 -15.523 -6.881 381 2HD PRO 53 2HD PRO 53 8.181 -14.426 -8.147 382 H THR 54 H THR 54 5.518 -18.805 -10.260 383 HA THR 54 HA THR 54 6.613 -18.622 -13.027 384 HB THR 54 HB THR 54 5.301 -20.626 -11.902 385 HG1 THR 54 HG1 THR 54 5.810 -21.214 -13.780 386 1HG2 THR 54 1HG2 THR 54 2.951 -20.855 -12.639 387 2HG2 THR 54 2HG2 THR 54 3.102 -19.467 -11.537 388 3HG2 THR 54 3HG2 THR 54 2.949 -19.199 -13.292 389 H LYS 55 H LYS 55 4.487 -18.369 -14.658 390 HA LYS 55 HA LYS 55 3.706 -15.460 -14.459 391 1HB LYS 55 1HB LYS 55 2.695 -15.849 -16.773 392 2HB LYS 55 2HB LYS 55 3.193 -17.526 -16.692 393 1HG LYS 55 1HG LYS 55 4.670 -15.304 -17.673 394 2HG LYS 55 2HG LYS 55 5.502 -15.743 -16.191 395 1HD LYS 55 1HD LYS 55 6.297 -16.890 -18.421 396 2HD LYS 55 2HD LYS 55 4.794 -17.799 -18.377 397 1HE LYS 55 1HE LYS 55 5.641 -18.396 -15.858 398 2HE LYS 55 2HE LYS 55 6.072 -19.368 -17.263 399 1HZ LYS 55 1HZ LYS 55 8.024 -17.476 -17.242 400 2HZ LYS 55 2HZ LYS 55 8.159 -18.967 -16.543 401 3HZ LYS 55 3HZ LYS 55 7.741 -17.659 -15.625 402 H GLU 56 H GLU 56 2.300 -18.695 -14.351 403 HA GLU 56 HA GLU 56 -0.519 -18.134 -14.581 404 1HB GLU 56 1HB GLU 56 0.894 -20.426 -14.326 405 2HB GLU 56 2HB GLU 56 0.343 -20.314 -12.666 406 1HG GLU 56 1HG GLU 56 -1.069 -21.622 -14.553 407 2HG GLU 56 2HG GLU 56 -1.709 -20.029 -14.920 408 H GLU 57 H GLU 57 1.606 -18.183 -11.721 409 HA GLU 57 HA GLU 57 -0.503 -17.621 -9.717 410 1HB GLU 57 1HB GLU 57 2.537 -17.415 -9.472 411 2HB GLU 57 2HB GLU 57 1.548 -18.809 -9.096 412 1HG GLU 57 1HG GLU 57 1.559 -16.119 -7.573 413 2HG GLU 57 2HG GLU 57 0.389 -17.390 -7.243 414 H LEU 58 H LEU 58 1.726 -15.698 -11.651 415 HA LEU 58 HA LEU 58 1.590 -13.166 -10.209 416 1HB LEU 58 1HB LEU 58 2.720 -14.168 -12.735 417 2HB LEU 58 2HB LEU 58 2.026 -12.578 -12.972 418 HG LEU 58 HG LEU 58 3.911 -13.085 -10.605 419 1HD1 LEU 58 1HD1 LEU 58 3.557 -10.542 -12.326 420 2HD1 LEU 58 2HD1 LEU 58 2.670 -10.828 -10.822 421 3HD1 LEU 58 3HD1 LEU 58 4.444 -10.687 -10.787 422 1HD2 LEU 58 1HD2 LEU 58 5.886 -12.611 -12.005 423 2HD2 LEU 58 2HD2 LEU 58 5.015 -13.997 -12.708 424 3HD2 LEU 58 3HD2 LEU 58 4.870 -12.394 -13.452 425 H ASP 59 H ASP 59 -0.401 -14.679 -12.689 426 HA ASP 59 HA ASP 59 -1.993 -12.463 -13.621 427 1HB ASP 59 1HB ASP 59 -2.842 -15.405 -13.383 428 2HB ASP 59 2HB ASP 59 -2.034 -14.663 -14.744 429 H ALA 60 H ALA 60 -2.314 -14.510 -10.757 430 HA ALA 60 HA ALA 60 -4.972 -13.417 -9.901 431 1HB ALA 60 1HB ALA 60 -4.671 -14.865 -7.898 432 2HB ALA 60 2HB ALA 60 -4.392 -15.769 -9.399 433 3HB ALA 60 3HB ALA 60 -3.010 -15.262 -8.396 434 H ILE 61 H ILE 61 -1.555 -13.009 -9.080 435 HA ILE 61 HA ILE 61 -1.679 -11.310 -6.745 436 HB ILE 61 HB ILE 61 0.363 -11.832 -8.846 437 1HG1 ILE 61 1HG1 ILE 61 0.013 -12.305 -6.008 438 2HG1 ILE 61 2HG1 ILE 61 1.269 -12.907 -7.069 439 1HG2 ILE 61 1HG2 ILE 61 1.851 -9.896 -8.259 440 2HG2 ILE 61 2HG2 ILE 61 0.365 -9.328 -9.019 441 3HG2 ILE 61 3HG2 ILE 61 0.561 -9.186 -7.257 442 1HD1 ILE 61 1HD1 ILE 61 1.461 -10.275 -5.489 443 2HD1 ILE 61 2HD1 ILE 61 2.336 -11.792 -5.188 444 3HD1 ILE 61 3HD1 ILE 61 2.679 -10.853 -6.659 445 H ILE 62 H ILE 62 -2.119 -10.639 -10.188 446 HA ILE 62 HA ILE 62 -2.371 -7.664 -9.859 447 HB ILE 62 HB ILE 62 -2.586 -9.525 -12.257 448 1HG1 ILE 62 1HG1 ILE 62 -0.596 -7.464 -11.250 449 2HG1 ILE 62 2HG1 ILE 62 -0.313 -9.026 -11.988 450 1HG2 ILE 62 1HG2 ILE 62 -3.114 -7.575 -13.748 451 2HG2 ILE 62 2HG2 ILE 62 -4.423 -7.838 -12.598 452 3HG2 ILE 62 3HG2 ILE 62 -3.273 -6.509 -12.330 453 1HD1 ILE 62 1HD1 ILE 62 -1.098 -6.494 -13.550 454 2HD1 ILE 62 2HD1 ILE 62 0.478 -7.311 -13.521 455 3HD1 ILE 62 3HD1 ILE 62 -0.920 -8.119 -14.267 456 H GLU 63 H GLU 63 -4.416 -10.519 -10.244 457 HA GLU 63 HA GLU 63 -7.021 -9.466 -10.641 458 1HB GLU 63 1HB GLU 63 -6.579 -11.697 -8.607 459 2HB GLU 63 2HB GLU 63 -6.245 -11.949 -10.309 460 1HG GLU 63 1HG GLU 63 -8.963 -11.269 -9.026 461 2HG GLU 63 2HG GLU 63 -8.713 -11.179 -10.761 462 H GLU 64 H GLU 64 -5.031 -9.447 -7.732 463 HA GLU 64 HA GLU 64 -6.924 -8.365 -5.792 464 1HB GLU 64 1HB GLU 64 -5.132 -8.942 -4.576 465 2HB GLU 64 2HB GLU 64 -4.019 -8.801 -5.922 466 1HG GLU 64 1HG GLU 64 -5.016 -6.257 -4.530 467 2HG GLU 64 2HG GLU 64 -3.549 -6.485 -5.465 468 H VAL 65 H VAL 65 -4.428 -6.684 -7.739 469 HA VAL 65 HA VAL 65 -5.895 -4.036 -7.361 470 HB VAL 65 HB VAL 65 -3.007 -4.464 -8.286 471 1HG1 VAL 65 1HG1 VAL 65 -3.925 -3.511 -5.497 472 2HG1 VAL 65 2HG1 VAL 65 -3.448 -5.180 -5.859 473 3HG1 VAL 65 3HG1 VAL 65 -2.263 -3.863 -6.033 474 1HG2 VAL 65 1HG2 VAL 65 -2.656 -2.058 -8.025 475 2HG2 VAL 65 2HG2 VAL 65 -4.109 -2.246 -9.036 476 3HG2 VAL 65 3HG2 VAL 65 -4.277 -1.817 -7.328 477 H ASP 66 H ASP 66 -7.479 -4.871 -8.919 478 HA ASP 66 HA ASP 66 -7.122 -3.792 -11.614 479 1HB ASP 66 1HB ASP 66 -7.405 -6.803 -11.880 480 2HB ASP 66 2HB ASP 66 -5.808 -6.148 -11.601 481 H GLU 67 H GLU 67 -8.942 -2.996 -10.198 482 HA GLU 67 HA GLU 67 -11.470 -4.637 -10.120 483 1HB GLU 67 1HB GLU 67 -11.412 -1.711 -9.337 484 2HB GLU 67 2HB GLU 67 -10.496 -2.841 -8.357 485 1HG GLU 67 1HG GLU 67 -13.533 -2.827 -8.862 486 2HG GLU 67 2HG GLU 67 -12.699 -2.543 -7.344 487 H ASP 68 H ASP 68 -10.433 -4.145 -12.723 488 HA ASP 68 HA ASP 68 -12.659 -2.491 -13.983 489 1HB ASP 68 1HB ASP 68 -11.222 -0.829 -14.494 490 2HB ASP 68 2HB ASP 68 -10.674 -1.897 -15.765 491 H GLY 69 H GLY 69 -9.927 -4.733 -14.523 492 1HA GLY 69 1HA GLY 69 -10.310 -7.086 -15.419 493 2HA GLY 69 2HA GLY 69 -11.723 -6.472 -16.288 494 H SER 70 H SER 70 -8.686 -4.722 -16.129 495 HA SER 70 HA SER 70 -8.489 -4.571 -19.122 496 1HB SER 70 1HB SER 70 -8.105 -2.518 -17.922 497 2HB SER 70 2HB SER 70 -6.576 -2.996 -18.664 498 HG SER 70 HG SER 70 -5.873 -3.756 -16.702 499 H GLY 71 H GLY 71 -6.612 -5.894 -16.396 500 1HA GLY 71 1HA GLY 71 -5.318 -8.063 -16.561 501 2HA GLY 71 2HA GLY 71 -5.116 -7.764 -18.293 502 H THR 72 H THR 72 -4.479 -4.943 -17.968 503 HA THR 72 HA THR 72 -1.556 -5.210 -17.145 504 HB THR 72 HB THR 72 -1.191 -3.096 -18.497 505 HG1 THR 72 HG1 THR 72 -3.007 -3.040 -20.165 506 1HG2 THR 72 1HG2 THR 72 -1.210 -4.140 -20.726 507 2HG2 THR 72 2HG2 THR 72 -0.635 -5.332 -19.540 508 3HG2 THR 72 3HG2 THR 72 -2.294 -5.440 -20.184 509 H ILE 73 H ILE 73 -0.801 -2.698 -16.681 510 HA ILE 73 HA ILE 73 -2.618 -1.462 -14.564 511 HB ILE 73 HB ILE 73 0.259 -2.358 -14.032 512 1HG1 ILE 73 1HG1 ILE 73 -1.020 -4.261 -13.505 513 2HG1 ILE 73 2HG1 ILE 73 -2.460 -3.346 -13.113 514 1HG2 ILE 73 1HG2 ILE 73 0.132 -1.232 -11.814 515 2HG2 ILE 73 2HG2 ILE 73 -0.114 -0.038 -13.096 516 3HG2 ILE 73 3HG2 ILE 73 -1.507 -0.630 -12.159 517 1HD1 ILE 73 1HD1 ILE 73 -1.570 -2.667 -10.900 518 2HD1 ILE 73 2HD1 ILE 73 -1.510 -4.432 -11.092 519 3HD1 ILE 73 3HD1 ILE 73 -0.018 -3.476 -11.251 520 H ASP 74 H ASP 74 -2.992 0.181 -15.997 521 HA ASP 74 HA ASP 74 -0.832 1.707 -17.366 522 1HB ASP 74 1HB ASP 74 -2.504 3.061 -18.360 523 2HB ASP 74 2HB ASP 74 -3.650 2.813 -17.063 524 H PHE 75 H PHE 75 -0.924 4.194 -17.090 525 HA PHE 75 HA PHE 75 0.124 4.926 -14.444 526 1HB PHE 75 1HB PHE 75 -0.921 6.990 -16.452 527 2HB PHE 75 2HB PHE 75 0.501 6.054 -16.825 528 HD1 PHE 75 HD1 PHE 75 0.246 6.587 -13.239 529 HD2 PHE 75 HD2 PHE 75 1.490 8.500 -16.888 530 HE1 PHE 75 HE1 PHE 75 1.626 8.167 -11.953 531 HE2 PHE 75 HE2 PHE 75 2.870 10.067 -15.582 532 HZ PHE 75 HZ PHE 75 2.926 9.917 -13.119 533 H GLU 76 H GLU 76 -3.061 4.905 -15.888 534 HA GLU 76 HA GLU 76 -4.313 6.629 -13.739 535 1HB GLU 76 1HB GLU 76 -5.325 5.497 -16.362 536 2HB GLU 76 2HB GLU 76 -6.476 5.954 -15.126 537 1HG GLU 76 1HG GLU 76 -5.454 8.317 -15.120 538 2HG GLU 76 2HG GLU 76 -4.417 7.819 -16.440 539 H GLU 77 H GLU 77 -3.127 4.342 -12.761 540 HA GLU 77 HA GLU 77 -5.375 3.067 -11.273 541 1HB GLU 77 1HB GLU 77 -5.640 1.542 -13.026 542 2HB GLU 77 2HB GLU 77 -3.932 1.463 -13.393 543 1HG GLU 77 1HG GLU 77 -5.077 0.312 -10.777 544 2HG GLU 77 2HG GLU 77 -3.471 0.033 -11.440 545 H PHE 78 H PHE 78 -1.936 2.992 -12.154 546 HA PHE 78 HA PHE 78 -0.846 1.688 -9.804 547 1HB PHE 78 1HB PHE 78 0.405 2.246 -11.981 548 2HB PHE 78 2HB PHE 78 0.549 3.901 -11.444 549 HD1 PHE 78 HD1 PHE 78 1.817 0.455 -11.071 550 HD2 PHE 78 HD2 PHE 78 1.950 4.377 -9.307 551 HE1 PHE 78 HE1 PHE 78 3.879 -0.144 -9.866 552 HE2 PHE 78 HE2 PHE 78 3.993 3.750 -8.087 553 HZ PHE 78 HZ PHE 78 4.966 1.497 -8.369 554 H LEU 79 H LEU 79 -1.781 5.028 -10.452 555 HA LEU 79 HA LEU 79 -0.619 6.279 -8.052 556 1HB LEU 79 1HB LEU 79 -2.192 8.203 -8.554 557 2HB LEU 79 2HB LEU 79 -2.956 7.246 -9.804 558 HG LEU 79 HG LEU 79 -0.672 7.116 -11.007 559 1HD1 LEU 79 1HD1 LEU 79 -0.903 9.392 -12.007 560 2HD1 LEU 79 2HD1 LEU 79 -2.496 8.651 -11.764 561 3HD1 LEU 79 3HD1 LEU 79 -1.928 9.916 -10.646 562 1HD2 LEU 79 1HD2 LEU 79 0.104 9.324 -8.983 563 2HD2 LEU 79 2HD2 LEU 79 0.859 7.717 -9.124 564 3HD2 LEU 79 3HD2 LEU 79 1.027 8.885 -10.443 565 H VAL 80 H VAL 80 -3.701 4.740 -8.798 566 HA VAL 80 HA VAL 80 -5.208 5.523 -6.395 567 HB VAL 80 HB VAL 80 -5.593 3.391 -8.503 568 1HG1 VAL 80 1HG1 VAL 80 -7.622 2.493 -7.345 569 2HG1 VAL 80 2HG1 VAL 80 -6.161 2.136 -6.416 570 3HG1 VAL 80 3HG1 VAL 80 -7.240 3.449 -5.891 571 1HG2 VAL 80 1HG2 VAL 80 -7.499 5.578 -7.441 572 2HG2 VAL 80 2HG2 VAL 80 -6.523 5.700 -8.923 573 3HG2 VAL 80 3HG2 VAL 80 -7.806 4.486 -8.813 574 H MET 81 H MET 81 -2.958 2.926 -7.209 575 HA MET 81 HA MET 81 -3.260 1.234 -4.815 576 1HB MET 81 1HB MET 81 -0.566 1.403 -6.201 577 2HB MET 81 2HB MET 81 -1.935 0.851 -7.148 578 1HG MET 81 1HG MET 81 -1.291 -0.452 -4.437 579 2HG MET 81 2HG MET 81 -2.302 -1.089 -5.745 580 1HE MET 81 1HE MET 81 -0.883 -3.356 -5.406 581 2HE MET 81 2HE MET 81 0.866 -3.497 -5.754 582 3HE MET 81 3HE MET 81 0.318 -2.638 -4.286 583 H MET 82 H MET 82 -0.556 3.410 -5.676 584 HA MET 82 HA MET 82 0.829 3.434 -3.175 585 1HB MET 82 1HB MET 82 0.722 5.350 -5.505 586 2HB MET 82 2HB MET 82 1.408 5.975 -4.017 587 1HG MET 82 1HG MET 82 2.395 3.294 -5.152 588 2HG MET 82 2HG MET 82 2.979 4.828 -5.811 589 1HE MET 82 1HE MET 82 5.089 3.436 -5.240 590 2HE MET 82 2HE MET 82 5.038 2.487 -3.726 591 3HE MET 82 3HE MET 82 6.065 3.947 -3.827 592 H VAL 83 H VAL 83 -2.016 5.239 -4.189 593 HA VAL 83 HA VAL 83 -2.059 7.281 -2.087 594 HB VAL 83 HB VAL 83 -3.828 6.504 -4.295 595 1HG1 VAL 83 1HG1 VAL 83 -5.982 7.376 -3.372 596 2HG1 VAL 83 2HG1 VAL 83 -5.488 5.907 -2.518 597 3HG1 VAL 83 3HG1 VAL 83 -5.264 7.493 -1.745 598 1HG2 VAL 83 1HG2 VAL 83 -3.504 9.193 -2.804 599 2HG2 VAL 83 2HG2 VAL 83 -2.599 8.692 -4.250 600 3HG2 VAL 83 3HG2 VAL 83 -4.346 8.952 -4.357 601 NH1 ARG 84 NH1 ARG 84 -9.888 0.793 -2.736 602 NH2 ARG 84 NH2 ARG 84 -9.424 -1.364 -2.198 603 H ARG 84 H ARG 84 -3.815 4.188 -2.480 604 HA ARG 84 HA ARG 84 -5.380 4.199 -0.018 605 1HB ARG 84 1HB ARG 84 -4.506 2.062 -1.978 606 2HB ARG 84 2HB ARG 84 -4.975 1.515 -0.375 607 1HG ARG 84 1HG ARG 84 -7.216 2.300 -0.563 608 2HG ARG 84 2HG ARG 84 -6.837 3.431 -1.865 609 1HD ARG 84 1HD ARG 84 -6.084 0.953 -2.994 610 2HD ARG 84 2HD ARG 84 -7.573 1.834 -3.345 611 HE ARG 84 HE ARG 84 -7.385 -0.312 -1.158 612 1HH1 ARG 84 1HH1 ARG 84 -8.728 -2.048 -1.883 613 2HH1 ARG 84 2HH1 ARG 84 -10.401 -1.553 -2.450 614 1HH2 ARG 84 1HH2 ARG 84 -9.539 1.750 -2.858 615 2HH2 ARG 84 2HH2 ARG 84 -10.842 0.459 -2.917 616 H GLN 85 H GLN 85 -2.067 3.195 -0.748 617 HA GLN 85 HA GLN 85 -1.518 1.816 1.825 618 1HB GLN 85 1HB GLN 85 0.139 2.617 -0.582 619 2HB GLN 85 2HB GLN 85 0.989 2.326 0.924 620 1HG GLN 85 1HG GLN 85 0.248 0.384 -0.962 621 2HG GLN 85 2HG GLN 85 -0.992 0.174 0.254 622 1HE2 GLN 85 1HE2 GLN 85 1.631 -2.093 1.480 623 2HE2 GLN 85 2HE2 GLN 85 0.330 -1.971 0.192 624 H MET 86 H MET 86 -1.137 5.077 0.541 625 HA MET 86 HA MET 86 0.655 6.228 2.542 626 1HB MET 86 1HB MET 86 0.530 8.074 1.273 627 2HB MET 86 2HB MET 86 -0.482 7.143 0.185 628 1HG MET 86 1HG MET 86 -2.551 8.017 1.044 629 2HG MET 86 2HG MET 86 -1.790 8.667 2.503 630 1HE MET 86 1HE MET 86 -3.493 9.798 -0.494 631 2HE MET 86 2HE MET 86 -2.399 10.845 -1.445 632 3HE MET 86 3HE MET 86 -2.180 9.071 -1.472 633 H LYS 87 H LYS 87 -2.894 6.086 2.287 634 HA LYS 87 HA LYS 87 -3.693 7.650 4.570 635 1HB LYS 87 1HB LYS 87 -5.685 5.859 4.708 636 2HB LYS 87 2HB LYS 87 -5.001 5.259 3.205 637 1HG LYS 87 1HG LYS 87 -5.374 8.225 3.206 638 2HG LYS 87 2HG LYS 87 -5.722 7.054 1.945 639 1HD LYS 87 1HD LYS 87 -7.935 7.312 2.423 640 2HD LYS 87 2HD LYS 87 -7.639 6.458 3.933 641 1HE LYS 87 1HE LYS 87 -7.054 9.453 3.930 642 2HE LYS 87 2HE LYS 87 -8.751 8.957 3.890 643 1HZ LYS 87 1HZ LYS 87 -7.882 7.374 5.830 644 2HZ LYS 87 2HZ LYS 87 -8.400 8.917 6.116 645 3HZ LYS 87 3HZ LYS 87 -6.783 8.594 6.016 646 H GLU 88 H GLU 88 -3.461 4.073 4.476 647 HA GLU 88 HA GLU 88 -2.746 2.457 6.102 648 1HB GLU 88 1HB GLU 88 -0.727 4.051 6.191 649 2HB GLU 88 2HB GLU 88 -1.439 4.772 7.622 650 1HG GLU 88 1HG GLU 88 -0.019 2.148 7.296 651 2HG GLU 88 2HG GLU 88 -1.470 2.025 8.276 652 H ASP 89 H ASP 89 -5.292 3.568 6.120 653 HA ASP 89 HA ASP 89 -7.278 3.881 7.452 654 1HB ASP 89 1HB ASP 89 -7.324 1.640 7.966 655 2HB ASP 89 2HB ASP 89 -7.243 2.318 9.576 656 H ALA 90 H ALA 90 -5.372 5.894 7.725 657 HA ALA 90 HA ALA 90 -4.894 6.592 10.615 658 1HB ALA 90 1HB ALA 90 -3.986 8.755 9.727 659 2HB ALA 90 2HB ALA 90 -3.250 7.374 8.890 660 3HB ALA 90 3HB ALA 90 -4.511 8.333 8.078 Start of MODEL 13 Raw file had 660 H/Q atoms Start of MODEL 13 1 1H ALA 1 1H ALA 1 -25.719 7.495 -17.338 2 2H ALA 1 2H ALA 1 -25.197 9.091 -17.423 3 3H ALA 1 3H ALA 1 -24.547 7.937 -18.460 4 HA ALA 1 HA ALA 1 -23.924 8.575 -15.719 5 1HB ALA 1 1HB ALA 1 -23.189 6.042 -15.398 6 2HB ALA 1 2HB ALA 1 -24.427 5.687 -16.617 7 3HB ALA 1 3HB ALA 1 -24.886 6.480 -15.088 8 H SER 2 H SER 2 -21.742 8.776 -15.558 9 HA SER 2 HA SER 2 -19.761 7.652 -17.466 10 1HB SER 2 1HB SER 2 -21.076 9.915 -18.469 11 2HB SER 2 2HB SER 2 -19.587 10.595 -17.808 12 HG SER 2 HG SER 2 -18.436 8.998 -18.968 13 H MET 3 H MET 3 -17.575 8.583 -17.034 14 HA MET 3 HA MET 3 -15.783 9.285 -15.594 15 1HB MET 3 1HB MET 3 -17.705 11.227 -15.265 16 2HB MET 3 2HB MET 3 -17.598 10.648 -13.612 17 1HG MET 3 1HG MET 3 -15.981 12.351 -13.596 18 2HG MET 3 2HG MET 3 -14.957 10.950 -13.938 19 1HE MET 3 1HE MET 3 -15.359 14.338 -14.541 20 2HE MET 3 2HE MET 3 -16.659 14.285 -15.768 21 3HE MET 3 3HE MET 3 -14.992 14.711 -16.256 22 H THR 4 H THR 4 -15.440 7.129 -15.022 23 HA THR 4 HA THR 4 -16.725 5.717 -12.785 24 HB THR 4 HB THR 4 -14.370 5.190 -14.525 25 HG1 THR 4 HG1 THR 4 -15.745 3.091 -14.020 26 1HG2 THR 4 1HG2 THR 4 -13.095 4.372 -12.742 27 2HG2 THR 4 2HG2 THR 4 -14.094 2.940 -13.075 28 3HG2 THR 4 3HG2 THR 4 -14.501 4.017 -11.715 29 H ASP 5 H ASP 5 -16.541 6.103 -10.712 30 HA ASP 5 HA ASP 5 -14.420 7.912 -9.555 31 1HB ASP 5 1HB ASP 5 -16.719 8.285 -8.787 32 2HB ASP 5 2HB ASP 5 -15.679 7.835 -7.454 33 H GLN 6 H GLN 6 -13.299 5.653 -10.607 34 HA GLN 6 HA GLN 6 -12.841 3.554 -8.473 35 1HB GLN 6 1HB GLN 6 -13.041 2.689 -10.717 36 2HB GLN 6 2HB GLN 6 -11.896 3.850 -11.364 37 1HG GLN 6 1HG GLN 6 -10.270 2.561 -9.517 38 2HG GLN 6 2HG GLN 6 -11.374 1.261 -9.906 39 1HE2 GLN 6 1HE2 GLN 6 -8.343 1.846 -12.419 40 2HE2 GLN 6 2HE2 GLN 6 -8.438 2.284 -10.640 41 H GLN 7 H GLN 7 -11.056 6.073 -10.251 42 HA GLN 7 HA GLN 7 -8.955 6.239 -8.028 43 1HB GLN 7 1HB GLN 7 -8.045 4.777 -9.915 44 2HB GLN 7 2HB GLN 7 -7.095 6.200 -9.499 45 1HG GLN 7 1HG GLN 7 -7.856 7.433 -11.482 46 2HG GLN 7 2HG GLN 7 -7.167 5.890 -11.964 47 1HE2 GLN 7 1HE2 GLN 7 -10.389 4.619 -13.151 48 2HE2 GLN 7 2HE2 GLN 7 -8.728 4.147 -12.531 49 H ALA 8 H ALA 8 -11.336 7.837 -9.105 50 HA ALA 8 HA ALA 8 -10.221 10.347 -10.264 51 1HB ALA 8 1HB ALA 8 -12.540 11.223 -10.025 52 2HB ALA 8 2HB ALA 8 -12.527 9.629 -10.805 53 3HB ALA 8 3HB ALA 8 -13.023 9.781 -9.100 54 H GLU 9 H GLU 9 -11.088 9.123 -7.077 55 HA GLU 9 HA GLU 9 -10.955 11.687 -5.583 56 1HB GLU 9 1HB GLU 9 -11.143 8.763 -4.759 57 2HB GLU 9 2HB GLU 9 -10.536 9.913 -3.576 58 1HG GLU 9 1HG GLU 9 -12.824 11.271 -4.472 59 2HG GLU 9 2HG GLU 9 -13.336 9.593 -4.610 60 H ALA 10 H ALA 10 -8.693 9.108 -6.410 61 HA ALA 10 HA ALA 10 -6.503 9.902 -4.580 62 1HB ALA 10 1HB ALA 10 -5.131 8.262 -5.856 63 2HB ALA 10 2HB ALA 10 -6.703 7.576 -5.404 64 3HB ALA 10 3HB ALA 10 -6.410 8.099 -7.082 65 NH1 ARG 11 NH1 ARG 11 -7.832 13.790 -15.018 66 NH2 ARG 11 NH2 ARG 11 -8.707 15.781 -14.365 67 H ARG 11 H ARG 11 -7.443 10.667 -7.882 68 HA ARG 11 HA ARG 11 -4.921 11.865 -8.854 69 1HB ARG 11 1HB ARG 11 -6.234 11.363 -10.684 70 2HB ARG 11 2HB ARG 11 -7.742 11.654 -9.831 71 1HG ARG 11 1HG ARG 11 -7.810 13.944 -10.314 72 2HG ARG 11 2HG ARG 11 -6.058 14.105 -10.457 73 1HD ARG 11 1HD ARG 11 -6.044 12.946 -12.644 74 2HD ARG 11 2HD ARG 11 -7.754 12.534 -12.512 75 HE ARG 11 HE ARG 11 -7.110 15.493 -12.446 76 1HH1 ARG 11 1HH1 ARG 11 -7.259 12.974 -14.777 77 2HH1 ARG 11 2HH1 ARG 11 -8.314 13.961 -15.907 78 1HH2 ARG 11 1HH2 ARG 11 -8.784 16.496 -13.633 79 2HH2 ARG 11 2HH2 ARG 11 -9.146 15.802 -15.292 80 H ALA 12 H ALA 12 -7.787 13.076 -7.183 81 HA ALA 12 HA ALA 12 -7.062 15.966 -7.326 82 1HB ALA 12 1HB ALA 12 -9.012 16.309 -5.821 83 2HB ALA 12 2HB ALA 12 -9.435 15.271 -7.196 84 3HB ALA 12 3HB ALA 12 -9.180 14.552 -5.587 85 H PHE 13 H PHE 13 -6.617 13.292 -5.075 86 HA PHE 13 HA PHE 13 -5.786 14.828 -2.719 87 1HB PHE 13 1HB PHE 13 -6.644 12.384 -2.861 88 2HB PHE 13 2HB PHE 13 -5.025 11.912 -3.308 89 HD1 PHE 13 HD1 PHE 13 -5.391 14.759 -0.936 90 HD2 PHE 13 HD2 PHE 13 -4.950 10.486 -1.222 91 HE1 PHE 13 HE1 PHE 13 -4.851 14.642 1.463 92 HE2 PHE 13 HE2 PHE 13 -4.415 10.391 1.177 93 HZ PHE 13 HZ PHE 13 -4.361 12.463 2.522 94 H LEU 14 H LEU 14 -4.123 13.449 -5.504 95 HA LEU 14 HA LEU 14 -1.372 14.332 -4.492 96 1HB LEU 14 1HB LEU 14 -1.827 12.675 -7.018 97 2HB LEU 14 2HB LEU 14 -0.367 12.837 -6.067 98 HG LEU 14 HG LEU 14 -2.764 11.565 -4.695 99 1HD1 LEU 14 1HD1 LEU 14 -2.268 9.330 -5.692 100 2HD1 LEU 14 2HD1 LEU 14 -2.791 10.473 -6.943 101 3HD1 LEU 14 3HD1 LEU 14 -1.065 10.056 -6.789 102 1HD2 LEU 14 1HD2 LEU 14 0.265 10.936 -4.618 103 2HD2 LEU 14 2HD2 LEU 14 -0.650 11.842 -3.387 104 3HD2 LEU 14 3HD2 LEU 14 -0.990 10.125 -3.646 105 H SER 15 H SER 15 -0.226 15.835 -5.547 106 HA SER 15 HA SER 15 -1.685 17.610 -7.534 107 1HB SER 15 1HB SER 15 0.973 18.340 -6.238 108 2HB SER 15 2HB SER 15 -0.313 19.395 -6.828 109 HG SER 15 HG SER 15 -0.580 19.357 -4.708 110 H GLU 16 H GLU 16 0.649 18.838 -8.579 111 HA GLU 16 HA GLU 16 1.323 16.945 -10.803 112 1HB GLU 16 1HB GLU 16 0.835 19.600 -10.826 113 2HB GLU 16 2HB GLU 16 2.575 19.697 -10.639 114 1HG GLU 16 1HG GLU 16 2.298 19.785 -12.986 115 2HG GLU 16 2HG GLU 16 0.943 18.670 -12.992 116 H GLU 17 H GLU 17 2.868 18.453 -8.029 117 HA GLU 17 HA GLU 17 5.661 17.609 -8.748 118 1HB GLU 17 1HB GLU 17 4.979 18.596 -5.967 119 2HB GLU 17 2HB GLU 17 4.823 19.717 -7.305 120 1HG GLU 17 1HG GLU 17 7.413 18.166 -6.647 121 2HG GLU 17 2HG GLU 17 7.244 19.380 -7.903 122 H MET 18 H MET 18 3.025 16.593 -6.634 123 HA MET 18 HA MET 18 4.444 14.470 -5.124 124 1HB MET 18 1HB MET 18 2.036 13.568 -4.728 125 2HB MET 18 2HB MET 18 1.463 14.962 -5.624 126 1HG MET 18 1HG MET 18 1.393 16.041 -3.608 127 2HG MET 18 2HG MET 18 3.153 16.191 -3.745 128 1HE MET 18 1HE MET 18 0.178 13.869 -2.412 129 2HE MET 18 2HE MET 18 0.802 13.672 -0.747 130 3HE MET 18 3HE MET 18 0.477 15.309 -1.389 131 H ILE 19 H ILE 19 2.609 14.662 -8.145 132 HA ILE 19 HA ILE 19 2.449 11.750 -8.672 133 HB ILE 19 HB ILE 19 1.755 14.230 -10.230 134 1HG1 ILE 19 1HG1 ILE 19 0.242 12.519 -8.692 135 2HG1 ILE 19 2HG1 ILE 19 0.073 11.700 -10.230 136 1HG2 ILE 19 1HG2 ILE 19 1.354 12.974 -12.363 137 2HG2 ILE 19 2HG2 ILE 19 3.069 12.954 -11.959 138 3HG2 ILE 19 3HG2 ILE 19 2.080 11.506 -11.663 139 1HD1 ILE 19 1HD1 ILE 19 -0.925 13.690 -11.320 140 2HD1 ILE 19 2HD1 ILE 19 -1.805 13.285 -9.832 141 3HD1 ILE 19 3HD1 ILE 19 -0.672 14.657 -9.841 142 H ALA 20 H ALA 20 4.680 14.380 -9.426 143 HA ALA 20 HA ALA 20 6.332 13.151 -11.458 144 1HB ALA 20 1HB ALA 20 8.055 14.842 -10.839 145 2HB ALA 20 2HB ALA 20 6.439 15.568 -10.940 146 3HB ALA 20 3HB ALA 20 7.169 15.241 -9.348 147 H GLU 21 H GLU 21 6.474 12.989 -7.917 148 HA GLU 21 HA GLU 21 9.119 11.791 -7.596 149 1HB GLU 21 1HB GLU 21 6.682 11.996 -5.799 150 2HB GLU 21 2HB GLU 21 8.237 12.792 -5.659 151 1HG GLU 21 1HG GLU 21 8.001 9.744 -5.313 152 2HG GLU 21 2HG GLU 21 9.312 10.789 -4.790 153 H PHE 22 H PHE 22 5.891 10.464 -8.131 154 HA PHE 22 HA PHE 22 6.678 7.593 -7.738 155 1HB PHE 22 1HB PHE 22 4.043 8.822 -8.758 156 2HB PHE 22 2HB PHE 22 4.312 7.115 -8.538 157 HD1 PHE 22 HD1 PHE 22 3.925 6.064 -6.423 158 HD2 PHE 22 HD2 PHE 22 4.356 10.345 -6.572 159 HE1 PHE 22 HE1 PHE 22 3.336 6.217 -4.041 160 HE2 PHE 22 HE2 PHE 22 3.766 10.476 -4.186 161 HZ PHE 22 HZ PHE 22 3.253 8.418 -2.918 162 H LYS 23 H LYS 23 6.344 9.901 -10.351 163 HA LYS 23 HA LYS 23 5.925 8.244 -12.688 164 1HB LYS 23 1HB LYS 23 7.189 10.961 -12.244 165 2HB LYS 23 2HB LYS 23 7.592 10.154 -13.743 166 1HG LYS 23 1HG LYS 23 5.545 11.821 -13.645 167 2HG LYS 23 2HG LYS 23 4.676 10.494 -12.894 168 1HD LYS 23 1HD LYS 23 6.115 10.007 -15.551 169 2HD LYS 23 2HD LYS 23 4.764 9.106 -14.852 170 1HE LYS 23 1HE LYS 23 3.184 10.960 -15.290 171 2HE LYS 23 2HE LYS 23 4.049 10.590 -16.789 172 1HZ LYS 23 1HZ LYS 23 4.328 12.830 -16.729 173 2HZ LYS 23 2HZ LYS 23 5.649 12.465 -15.807 174 3HZ LYS 23 3HZ LYS 23 4.247 12.955 -15.084 175 H ALA 24 H ALA 24 8.956 9.235 -11.083 176 HA ALA 24 HA ALA 24 10.889 8.100 -12.903 177 1HB ALA 24 1HB ALA 24 12.496 8.182 -11.007 178 2HB ALA 24 2HB ALA 24 11.529 9.666 -11.096 179 3HB ALA 24 3HB ALA 24 11.167 8.442 -9.852 180 H ALA 25 H ALA 25 9.589 6.695 -9.874 181 HA ALA 25 HA ALA 25 10.898 4.043 -10.249 182 1HB ALA 25 1HB ALA 25 9.716 3.415 -8.151 183 2HB ALA 25 2HB ALA 25 10.534 4.980 -7.979 184 3HB ALA 25 3HB ALA 25 8.766 4.920 -8.193 185 H PHE 26 H PHE 26 8.099 5.464 -11.549 186 HA PHE 26 HA PHE 26 6.250 3.113 -11.528 187 1HB PHE 26 1HB PHE 26 5.228 5.313 -11.593 188 2HB PHE 26 2HB PHE 26 6.136 5.807 -12.996 189 HD1 PHE 26 HD1 PHE 26 3.203 3.917 -11.778 190 HD2 PHE 26 HD2 PHE 26 5.515 4.844 -15.286 191 HE1 PHE 26 HE1 PHE 26 1.379 3.093 -13.211 192 HE2 PHE 26 HE2 PHE 26 3.678 4.018 -16.703 193 HZ PHE 26 HZ PHE 26 1.602 3.165 -15.672 194 H ASP 27 H ASP 27 8.337 4.767 -13.903 195 HA ASP 27 HA ASP 27 7.956 2.879 -16.126 196 1HB ASP 27 1HB ASP 27 9.923 5.114 -15.583 197 2HB ASP 27 2HB ASP 27 10.395 3.909 -16.759 198 H MET 28 H MET 28 10.118 3.037 -13.359 199 HA MET 28 HA MET 28 12.035 0.912 -14.111 200 1HB MET 28 1HB MET 28 11.314 1.455 -11.195 201 2HB MET 28 2HB MET 28 12.168 2.672 -12.124 202 1HG MET 28 1HG MET 28 13.343 -0.127 -12.227 203 2HG MET 28 2HG MET 28 13.458 0.745 -10.689 204 1HE MET 28 1HE MET 28 15.236 2.443 -10.134 205 2HE MET 28 2HE MET 28 15.815 3.683 -11.286 206 3HE MET 28 3HE MET 28 14.082 3.611 -10.853 207 H PHE 29 H PHE 29 8.919 1.010 -12.429 208 HA PHE 29 HA PHE 29 8.766 -1.814 -11.595 209 1HB PHE 29 1HB PHE 29 6.308 -0.096 -12.244 210 2HB PHE 29 2HB PHE 29 7.272 0.213 -10.825 211 HD1 PHE 29 HD1 PHE 29 4.540 -0.383 -10.285 212 HD2 PHE 29 HD2 PHE 29 7.681 -3.227 -11.044 213 HE1 PHE 29 HE1 PHE 29 3.283 -2.115 -9.070 214 HE2 PHE 29 HE2 PHE 29 6.410 -4.940 -9.819 215 HZ PHE 29 HZ PHE 29 4.205 -4.397 -8.850 216 H ASP 30 H ASP 30 7.918 -0.015 -14.515 217 HA ASP 30 HA ASP 30 6.600 -2.309 -15.914 218 1HB ASP 30 1HB ASP 30 6.147 0.276 -16.268 219 2HB ASP 30 2HB ASP 30 7.527 0.223 -17.341 220 H ALA 31 H ALA 31 7.435 -2.959 -18.096 221 HA ALA 31 HA ALA 31 10.447 -3.022 -18.412 222 1HB ALA 31 1HB ALA 31 10.587 -5.513 -18.403 223 2HB ALA 31 2HB ALA 31 10.058 -4.880 -16.833 224 3HB ALA 31 3HB ALA 31 8.876 -5.639 -17.931 225 H ASP 32 H ASP 32 7.947 -2.110 -19.831 226 HA ASP 32 HA ASP 32 8.191 -3.667 -22.455 227 1HB ASP 32 1HB ASP 32 5.798 -2.551 -21.039 228 2HB ASP 32 2HB ASP 32 5.846 -2.204 -22.752 229 H GLY 33 H GLY 33 6.996 -0.415 -21.571 230 1HA GLY 33 1HA GLY 33 8.857 1.488 -22.277 231 2HA GLY 33 2HA GLY 33 8.591 0.786 -23.856 232 H GLY 34 H GLY 34 5.740 0.255 -23.377 233 1HA GLY 34 1HA GLY 34 3.624 1.327 -23.876 234 2HA GLY 34 2HA GLY 34 4.586 2.680 -24.488 235 H GLY 35 H GLY 35 3.476 1.216 -21.441 236 1HA GLY 35 1HA GLY 35 2.470 3.739 -20.238 237 2HA GLY 35 2HA GLY 35 4.082 3.370 -19.609 238 H ASP 36 H ASP 36 1.164 1.468 -20.404 239 HA ASP 36 HA ASP 36 0.432 0.830 -17.643 240 1HB ASP 36 1HB ASP 36 -0.488 -1.126 -19.725 241 2HB ASP 36 2HB ASP 36 -1.377 -0.319 -18.455 242 H ILE 37 H ILE 37 0.633 -1.100 -16.503 243 HA ILE 37 HA ILE 37 3.099 -2.776 -17.146 244 HB ILE 37 HB ILE 37 1.817 -3.231 -14.507 245 1HG1 ILE 37 1HG1 ILE 37 2.409 -0.439 -15.221 246 2HG1 ILE 37 2HG1 ILE 37 1.656 -1.096 -13.780 247 1HG2 ILE 37 1HG2 ILE 37 4.150 -3.444 -13.743 248 2HG2 ILE 37 2HG2 ILE 37 3.924 -4.364 -15.237 249 3HG2 ILE 37 3HG2 ILE 37 4.763 -2.795 -15.284 250 1HD1 ILE 37 1HD1 ILE 37 4.694 -0.785 -14.169 251 2HD1 ILE 37 2HD1 ILE 37 3.632 0.165 -13.106 252 3HD1 ILE 37 3HD1 ILE 37 3.924 -1.554 -12.754 253 H SER 38 H SER 38 2.847 -5.098 -16.194 254 HA SER 38 HA SER 38 0.124 -6.310 -16.877 255 1HB SER 38 1HB SER 38 0.837 -7.593 -18.618 256 2HB SER 38 2HB SER 38 2.036 -6.310 -18.802 257 HG SER 38 HG SER 38 2.663 -8.659 -18.638 258 H THR 39 H THR 39 0.744 -8.924 -16.613 259 HA THR 39 HA THR 39 1.078 -9.273 -13.665 260 HB THR 39 HB THR 39 0.929 -11.850 -14.491 261 HG1 THR 39 HG1 THR 39 -0.099 -12.061 -16.318 262 1HG2 THR 39 1HG2 THR 39 -1.502 -11.802 -14.148 263 2HG2 THR 39 2HG2 THR 39 -0.739 -10.715 -12.964 264 3HG2 THR 39 3HG2 THR 39 -1.565 -10.041 -14.394 265 H LYS 40 H LYS 40 2.614 -11.024 -16.393 266 HA LYS 40 HA LYS 40 4.903 -12.040 -15.030 267 1HB LYS 40 1HB LYS 40 4.192 -12.762 -17.271 268 2HB LYS 40 2HB LYS 40 4.678 -11.256 -18.005 269 1HG LYS 40 1HG LYS 40 6.321 -13.589 -16.920 270 2HG LYS 40 2HG LYS 40 7.081 -12.020 -16.887 271 1HD LYS 40 1HD LYS 40 6.378 -12.026 -19.550 272 2HD LYS 40 2HD LYS 40 7.881 -12.596 -18.887 273 1HE LYS 40 1HE LYS 40 7.144 -14.255 -20.460 274 2HE LYS 40 2HE LYS 40 7.087 -14.977 -18.857 275 1HZ LYS 40 1HZ LYS 40 4.597 -14.275 -18.961 276 2HZ LYS 40 2HZ LYS 40 5.085 -15.585 -19.842 277 3HZ LYS 40 3HZ LYS 40 4.839 -14.132 -20.589 278 H GLU 41 H GLU 41 4.310 -8.875 -16.466 279 HA GLU 41 HA GLU 41 6.966 -7.688 -16.327 280 1HB GLU 41 1HB GLU 41 4.611 -5.883 -15.842 281 2HB GLU 41 2HB GLU 41 4.590 -6.822 -17.319 282 1HG GLU 41 1HG GLU 41 6.344 -4.495 -16.562 283 2HG GLU 41 2HG GLU 41 7.169 -5.776 -17.424 284 H LEU 42 H LEU 42 4.257 -7.684 -14.007 285 HA LEU 42 HA LEU 42 5.307 -6.002 -11.931 286 1HB LEU 42 1HB LEU 42 3.222 -8.135 -12.075 287 2HB LEU 42 2HB LEU 42 3.949 -8.009 -10.489 288 HG LEU 42 HG LEU 42 3.330 -5.298 -11.327 289 1HD1 LEU 42 1HD1 LEU 42 1.873 -7.035 -9.239 290 2HD1 LEU 42 2HD1 LEU 42 3.438 -6.260 -8.952 291 3HD1 LEU 42 3HD1 LEU 42 2.000 -5.257 -9.266 292 1HD2 LEU 42 1HD2 LEU 42 0.894 -5.370 -11.727 293 2HD2 LEU 42 2HD2 LEU 42 1.684 -6.394 -12.952 294 3HD2 LEU 42 3HD2 LEU 42 0.868 -7.146 -11.569 295 H GLY 43 H GLY 43 5.943 -9.389 -12.673 296 1HA GLY 43 1HA GLY 43 7.433 -10.052 -10.181 297 2HA GLY 43 2HA GLY 43 7.340 -11.066 -11.626 298 H THR 44 H THR 44 8.254 -9.022 -13.462 299 HA THR 44 HA THR 44 10.999 -9.725 -13.705 300 HB THR 44 HB THR 44 9.449 -7.388 -14.862 301 HG1 THR 44 HG1 THR 44 9.389 -9.650 -15.546 302 1HG2 THR 44 1HG2 THR 44 11.380 -6.814 -16.343 303 2HG2 THR 44 2HG2 THR 44 11.737 -6.429 -14.646 304 3HG2 THR 44 3HG2 THR 44 12.443 -7.884 -15.396 305 H VAL 45 H VAL 45 9.692 -6.671 -12.386 306 HA VAL 45 HA VAL 45 12.288 -5.513 -11.627 307 HB VAL 45 HB VAL 45 9.600 -4.580 -11.700 308 1HG1 VAL 45 1HG1 VAL 45 12.074 -2.956 -10.840 309 2HG1 VAL 45 2HG1 VAL 45 11.747 -3.411 -12.516 310 3HG1 VAL 45 3HG1 VAL 45 10.605 -2.357 -11.653 311 1HG2 VAL 45 1HG2 VAL 45 9.218 -3.368 -9.618 312 2HG2 VAL 45 2HG2 VAL 45 9.485 -5.067 -9.164 313 3HG2 VAL 45 3HG2 VAL 45 10.782 -3.886 -8.938 314 H MET 46 H MET 46 9.920 -7.579 -10.035 315 HA MET 46 HA MET 46 10.792 -7.342 -7.261 316 1HB MET 46 1HB MET 46 9.367 -9.658 -8.689 317 2HB MET 46 2HB MET 46 9.753 -9.687 -6.978 318 1HG MET 46 1HG MET 46 8.431 -7.197 -7.239 319 2HG MET 46 2HG MET 46 7.563 -8.239 -8.379 320 1HE MET 46 1HE MET 46 7.317 -11.092 -7.469 321 2HE MET 46 2HE MET 46 6.017 -11.067 -6.242 322 3HE MET 46 3HE MET 46 5.856 -10.089 -7.729 323 NH1 ARG 47 NH1 ARG 47 16.509 -11.106 -15.452 324 NH2 ARG 47 NH2 ARG 47 16.747 -13.150 -14.487 325 H ARG 47 H ARG 47 11.945 -9.241 -9.989 326 HA ARG 47 HA ARG 47 13.570 -11.264 -8.751 327 1HB ARG 47 1HB ARG 47 13.071 -10.607 -11.353 328 2HB ARG 47 2HB ARG 47 14.298 -11.750 -10.824 329 1HG ARG 47 1HG ARG 47 14.927 -8.775 -11.299 330 2HG ARG 47 2HG ARG 47 16.087 -10.063 -10.977 331 1HD ARG 47 1HD ARG 47 14.266 -9.975 -13.481 332 2HD ARG 47 2HD ARG 47 15.929 -9.412 -13.432 333 HE ARG 47 HE ARG 47 15.694 -12.244 -12.532 334 1HH1 ARG 47 1HH1 ARG 47 16.179 -10.139 -15.360 335 2HH1 ARG 47 2HH1 ARG 47 16.962 -11.526 -16.271 336 1HH2 ARG 47 1HH2 ARG 47 16.601 -13.743 -13.662 337 2HH2 ARG 47 2HH2 ARG 47 17.183 -13.427 -15.373 338 H MET 48 H MET 48 14.156 -7.831 -9.198 339 HA MET 48 HA MET 48 16.975 -7.519 -9.006 340 1HB MET 48 1HB MET 48 14.759 -5.743 -7.848 341 2HB MET 48 2HB MET 48 16.456 -5.338 -7.668 342 1HG MET 48 1HG MET 48 15.039 -5.746 -10.388 343 2HG MET 48 2HG MET 48 15.359 -4.176 -9.634 344 1HE MET 48 1HE MET 48 16.364 -5.058 -12.632 345 2HE MET 48 2HE MET 48 17.989 -5.802 -12.698 346 3HE MET 48 3HE MET 48 16.594 -6.758 -12.118 347 H LEU 49 H LEU 49 14.633 -7.977 -6.365 348 HA LEU 49 HA LEU 49 16.240 -7.760 -4.023 349 1HB LEU 49 1HB LEU 49 14.759 -9.653 -3.040 350 2HB LEU 49 2HB LEU 49 13.988 -9.766 -4.607 351 HG LEU 49 HG LEU 49 13.837 -7.495 -2.572 352 1HD1 LEU 49 1HD1 LEU 49 11.631 -8.892 -4.214 353 2HD1 LEU 49 2HD1 LEU 49 12.127 -9.386 -2.585 354 3HD1 LEU 49 3HD1 LEU 49 11.403 -7.779 -2.840 355 1HD2 LEU 49 1HD2 LEU 49 12.832 -5.941 -4.193 356 2HD2 LEU 49 2HD2 LEU 49 14.417 -6.427 -4.843 357 3HD2 LEU 49 3HD2 LEU 49 12.940 -7.142 -5.505 358 H GLY 50 H GLY 50 15.553 -10.869 -5.663 359 1HA GLY 50 1HA GLY 50 17.681 -12.388 -4.309 360 2HA GLY 50 2HA GLY 50 18.287 -11.874 -5.890 361 H GLN 51 H GLN 51 15.245 -13.189 -4.556 362 HA GLN 51 HA GLN 51 15.211 -15.546 -6.442 363 1HB GLN 51 1HB GLN 51 14.305 -16.287 -4.469 364 2HB GLN 51 2HB GLN 51 12.833 -15.816 -5.299 365 1HG GLN 51 1HG GLN 51 14.155 -14.563 -2.892 366 2HG GLN 51 2HG GLN 51 13.399 -13.436 -3.996 367 1HE2 GLN 51 1HE2 GLN 51 10.029 -14.940 -3.373 368 2HE2 GLN 51 2HE2 GLN 51 11.077 -14.387 -4.774 369 H ASN 52 H ASN 52 13.325 -15.916 -7.808 370 HA ASN 52 HA ASN 52 11.872 -13.446 -8.782 371 1HB ASN 52 1HB ASN 52 14.088 -13.899 -10.105 372 2HB ASN 52 2HB ASN 52 13.270 -15.263 -10.835 373 1HD2 ASN 52 1HD2 ASN 52 12.621 -12.564 -13.253 374 2HD2 ASN 52 2HD2 ASN 52 13.680 -14.001 -12.830 375 HA PRO 53 HA PRO 53 8.798 -17.117 -8.311 376 1HB PRO 53 1HB PRO 53 6.913 -14.762 -8.691 377 2HB PRO 53 2HB PRO 53 6.891 -16.102 -7.535 378 1HG PRO 53 1HG PRO 53 7.713 -13.583 -6.809 379 2HG PRO 53 2HG PRO 53 8.318 -15.040 -5.987 380 1HD PRO 53 1HD PRO 53 10.439 -14.281 -6.764 381 2HD PRO 53 2HD PRO 53 9.712 -13.234 -8.018 382 H THR 54 H THR 54 7.090 -17.795 -9.839 383 HA THR 54 HA THR 54 7.862 -17.228 -12.721 384 HB THR 54 HB THR 54 7.683 -19.631 -11.697 385 HG1 THR 54 HG1 THR 54 7.490 -20.306 -13.679 386 1HG2 THR 54 1HG2 THR 54 5.529 -20.795 -12.049 387 2HG2 THR 54 2HG2 THR 54 5.329 -19.520 -10.824 388 3HG2 THR 54 3HG2 THR 54 4.723 -19.268 -12.481 389 H LYS 55 H LYS 55 5.717 -17.672 -14.155 390 HA LYS 55 HA LYS 55 4.242 -15.145 -14.026 391 1HB LYS 55 1HB LYS 55 4.621 -16.215 -16.195 392 2HB LYS 55 2HB LYS 55 3.804 -17.686 -15.707 393 1HG LYS 55 1HG LYS 55 1.672 -16.111 -15.429 394 2HG LYS 55 2HG LYS 55 2.566 -14.992 -16.442 395 1HD LYS 55 1HD LYS 55 0.889 -16.687 -17.599 396 2HD LYS 55 2HD LYS 55 2.449 -16.390 -18.348 397 1HE LYS 55 1HE LYS 55 3.232 -18.519 -16.896 398 2HE LYS 55 2HE LYS 55 1.512 -18.900 -16.887 399 1HZ LYS 55 1HZ LYS 55 2.003 -19.854 -18.858 400 2HZ LYS 55 2HZ LYS 55 3.411 -19.016 -19.070 401 3HZ LYS 55 3HZ LYS 55 1.970 -18.335 -19.506 402 H GLU 56 H GLU 56 3.609 -18.423 -12.915 403 HA GLU 56 HA GLU 56 0.782 -18.447 -12.509 404 1HB GLU 56 1HB GLU 56 1.868 -20.505 -12.216 405 2HB GLU 56 2HB GLU 56 3.055 -19.874 -11.092 406 1HG GLU 56 1HG GLU 56 0.778 -19.485 -9.573 407 2HG GLU 56 2HG GLU 56 1.773 -20.930 -9.509 408 H GLU 57 H GLU 57 3.218 -17.734 -9.981 409 HA GLU 57 HA GLU 57 1.495 -16.885 -7.871 410 1HB GLU 57 1HB GLU 57 4.082 -15.370 -8.091 411 2HB GLU 57 2HB GLU 57 4.193 -17.117 -8.075 412 1HG GLU 57 1HG GLU 57 3.956 -15.356 -5.821 413 2HG GLU 57 2HG GLU 57 2.404 -16.182 -5.886 414 H LEU 58 H LEU 58 3.000 -14.858 -10.398 415 HA LEU 58 HA LEU 58 2.123 -12.270 -9.520 416 1HB LEU 58 1HB LEU 58 2.826 -13.346 -12.297 417 2HB LEU 58 2HB LEU 58 2.330 -11.681 -12.071 418 HG LEU 58 HG LEU 58 4.651 -12.901 -10.458 419 1HD1 LEU 58 1HD1 LEU 58 6.244 -11.891 -12.138 420 2HD1 LEU 58 2HD1 LEU 58 5.280 -13.184 -12.865 421 3HD1 LEU 58 3HD1 LEU 58 4.876 -11.483 -13.204 422 1HD2 LEU 58 1HD2 LEU 58 3.968 -9.973 -11.164 423 2HD2 LEU 58 2HD2 LEU 58 3.712 -10.757 -9.586 424 3HD2 LEU 58 3HD2 LEU 58 5.360 -10.521 -10.197 425 H ASP 59 H ASP 59 0.511 -14.703 -11.517 426 HA ASP 59 HA ASP 59 -1.714 -13.201 -12.565 427 1HB ASP 59 1HB ASP 59 -1.708 -16.190 -11.850 428 2HB ASP 59 2HB ASP 59 -1.119 -15.498 -13.344 429 H ALA 60 H ALA 60 -1.275 -14.814 -9.448 430 HA ALA 60 HA ALA 60 -4.006 -14.412 -8.402 431 1HB ALA 60 1HB ALA 60 -3.039 -15.082 -6.207 432 2HB ALA 60 2HB ALA 60 -2.527 -16.180 -7.504 433 3HB ALA 60 3HB ALA 60 -1.389 -14.967 -6.863 434 H ILE 61 H ILE 61 -1.001 -12.569 -8.324 435 HA ILE 61 HA ILE 61 -1.564 -10.675 -6.200 436 HB ILE 61 HB ILE 61 0.434 -10.869 -8.365 437 1HG1 ILE 61 1HG1 ILE 61 0.382 -10.790 -5.490 438 2HG1 ILE 61 2HG1 ILE 61 1.760 -11.054 -6.538 439 1HG2 ILE 61 1HG2 ILE 61 1.142 -8.459 -8.386 440 2HG2 ILE 61 2HG2 ILE 61 -0.471 -8.638 -9.073 441 3HG2 ILE 61 3HG2 ILE 61 -0.285 -8.013 -7.418 442 1HD1 ILE 61 1HD1 ILE 61 0.889 -8.294 -5.495 443 2HD1 ILE 61 2HD1 ILE 61 2.308 -9.245 -5.005 444 3HD1 ILE 61 3HD1 ILE 61 2.220 -8.574 -6.651 445 H ILE 62 H ILE 62 -2.103 -10.446 -9.727 446 HA ILE 62 HA ILE 62 -3.493 -7.815 -9.608 447 HB ILE 62 HB ILE 62 -2.716 -9.725 -11.776 448 1HG1 ILE 62 1HG1 ILE 62 -2.841 -6.681 -12.053 449 2HG1 ILE 62 2HG1 ILE 62 -1.647 -7.370 -10.974 450 1HG2 ILE 62 1HG2 ILE 62 -4.233 -8.721 -13.507 451 2HG2 ILE 62 2HG2 ILE 62 -5.178 -9.560 -12.278 452 3HG2 ILE 62 3HG2 ILE 62 -5.080 -7.784 -12.250 453 1HD1 ILE 62 1HD1 ILE 62 -1.810 -7.980 -13.985 454 2HD1 ILE 62 2HD1 ILE 62 -0.592 -7.007 -13.135 455 3HD1 ILE 62 3HD1 ILE 62 -0.677 -8.760 -12.847 456 H GLU 63 H GLU 63 -4.375 -11.235 -9.739 457 HA GLU 63 HA GLU 63 -7.195 -11.179 -10.148 458 1HB GLU 63 1HB GLU 63 -5.687 -13.234 -9.828 459 2HB GLU 63 2HB GLU 63 -5.871 -13.028 -8.097 460 1HG GLU 63 1HG GLU 63 -8.292 -13.467 -8.213 461 2HG GLU 63 2HG GLU 63 -8.303 -13.342 -9.964 462 H GLU 64 H GLU 64 -5.314 -10.362 -7.281 463 HA GLU 64 HA GLU 64 -7.451 -10.263 -5.293 464 1HB GLU 64 1HB GLU 64 -5.594 -10.195 -4.053 465 2HB GLU 64 2HB GLU 64 -4.601 -9.624 -5.380 466 1HG GLU 64 1HG GLU 64 -6.397 -7.586 -3.988 467 2HG GLU 64 2HG GLU 64 -4.848 -7.340 -4.776 468 H VAL 65 H VAL 65 -5.710 -7.462 -6.685 469 HA VAL 65 HA VAL 65 -8.208 -5.745 -6.317 470 HB VAL 65 HB VAL 65 -6.559 -4.725 -5.049 471 1HG1 VAL 65 1HG1 VAL 65 -6.198 -3.210 -7.715 472 2HG1 VAL 65 2HG1 VAL 65 -7.663 -3.114 -6.719 473 3HG1 VAL 65 3HG1 VAL 65 -6.108 -2.544 -6.066 474 1HG2 VAL 65 1HG2 VAL 65 -4.188 -4.397 -5.556 475 2HG2 VAL 65 2HG2 VAL 65 -4.555 -6.095 -5.945 476 3HG2 VAL 65 3HG2 VAL 65 -4.399 -4.910 -7.248 477 H ASP 66 H ASP 66 -9.359 -5.735 -8.122 478 HA ASP 66 HA ASP 66 -8.523 -4.471 -10.611 479 1HB ASP 66 1HB ASP 66 -7.528 -7.132 -10.490 480 2HB ASP 66 2HB ASP 66 -8.941 -7.251 -11.513 481 H GLU 67 H GLU 67 -10.566 -3.951 -9.141 482 HA GLU 67 HA GLU 67 -13.073 -5.440 -9.896 483 1HB GLU 67 1HB GLU 67 -14.216 -4.158 -8.271 484 2HB GLU 67 2HB GLU 67 -13.062 -2.838 -8.314 485 1HG GLU 67 1HG GLU 67 -11.490 -3.979 -6.919 486 2HG GLU 67 2HG GLU 67 -12.094 -5.571 -7.343 487 H ASP 68 H ASP 68 -11.395 -3.933 -11.919 488 HA ASP 68 HA ASP 68 -13.542 -2.038 -13.001 489 1HB ASP 68 1HB ASP 68 -11.264 -0.992 -12.369 490 2HB ASP 68 2HB ASP 68 -11.961 -0.595 -13.922 491 H GLY 69 H GLY 69 -11.149 -4.549 -13.758 492 1HA GLY 69 1HA GLY 69 -11.616 -6.498 -15.267 493 2HA GLY 69 2HA GLY 69 -12.908 -5.558 -16.027 494 H SER 70 H SER 70 -9.386 -5.688 -15.639 495 HA SER 70 HA SER 70 -8.981 -4.655 -18.488 496 1HB SER 70 1HB SER 70 -8.698 -2.612 -17.399 497 2HB SER 70 2HB SER 70 -7.038 -3.204 -17.503 498 HG SER 70 HG SER 70 -7.024 -3.641 -15.416 499 H GLY 71 H GLY 71 -7.412 -5.912 -15.526 500 1HA GLY 71 1HA GLY 71 -5.963 -8.099 -16.995 501 2HA GLY 71 2HA GLY 71 -5.884 -7.794 -15.255 502 H THR 72 H THR 72 -5.276 -4.959 -15.554 503 HA THR 72 HA THR 72 -2.298 -5.151 -15.773 504 HB THR 72 HB THR 72 -2.014 -3.279 -17.403 505 HG1 THR 72 HG1 THR 72 -4.648 -3.799 -18.231 506 1HG2 THR 72 1HG2 THR 72 -2.351 -4.525 -19.499 507 2HG2 THR 72 2HG2 THR 72 -1.717 -5.637 -18.266 508 3HG2 THR 72 3HG2 THR 72 -3.443 -5.688 -18.713 509 H ILE 73 H ILE 73 -1.278 -3.497 -14.685 510 HA ILE 73 HA ILE 73 -3.030 -1.746 -12.903 511 HB ILE 73 HB ILE 73 -0.117 -2.621 -12.571 512 1HG1 ILE 73 1HG1 ILE 73 -2.246 -4.222 -12.059 513 2HG1 ILE 73 2HG1 ILE 73 -2.351 -3.271 -10.592 514 1HG2 ILE 73 1HG2 ILE 73 -0.086 -1.433 -10.382 515 2HG2 ILE 73 2HG2 ILE 73 -0.441 -0.279 -11.674 516 3HG2 ILE 73 3HG2 ILE 73 -1.752 -0.856 -10.618 517 1HD1 ILE 73 1HD1 ILE 73 -0.067 -3.915 -9.872 518 2HD1 ILE 73 2HD1 ILE 73 -1.049 -5.353 -10.222 519 3HD1 ILE 73 3HD1 ILE 73 0.182 -4.819 -11.391 520 H ASP 74 H ASP 74 -3.453 -0.385 -14.753 521 HA ASP 74 HA ASP 74 -1.469 1.140 -16.233 522 1HB ASP 74 1HB ASP 74 -3.573 2.914 -16.234 523 2HB ASP 74 2HB ASP 74 -3.366 1.581 -17.347 524 H PHE 75 H PHE 75 -1.586 3.699 -16.002 525 HA PHE 75 HA PHE 75 -0.118 4.400 -13.545 526 1HB PHE 75 1HB PHE 75 -1.267 6.374 -15.607 527 2HB PHE 75 2HB PHE 75 0.189 5.454 -15.880 528 HD1 PHE 75 HD1 PHE 75 -1.329 8.093 -13.681 529 HD2 PHE 75 HD2 PHE 75 2.313 6.114 -14.837 530 HE1 PHE 75 HE1 PHE 75 -0.012 9.809 -12.509 531 HE2 PHE 75 HE2 PHE 75 3.612 7.838 -13.652 532 HZ PHE 75 HZ PHE 75 2.457 9.696 -12.508 533 H GLU 76 H GLU 76 -3.406 4.917 -14.746 534 HA GLU 76 HA GLU 76 -4.359 6.785 -12.702 535 1HB GLU 76 1HB GLU 76 -6.385 4.954 -13.940 536 2HB GLU 76 2HB GLU 76 -6.434 6.679 -13.645 537 1HG GLU 76 1HG GLU 76 -5.988 7.067 -15.835 538 2HG GLU 76 2HG GLU 76 -4.408 6.336 -15.645 539 H GLU 77 H GLU 77 -4.494 3.248 -13.005 540 HA GLU 77 HA GLU 77 -5.959 2.781 -10.451 541 1HB GLU 77 1HB GLU 77 -6.417 0.893 -11.526 542 2HB GLU 77 2HB GLU 77 -5.174 1.172 -12.724 543 1HG GLU 77 1HG GLU 77 -4.298 0.059 -10.020 544 2HG GLU 77 2HG GLU 77 -3.560 -0.174 -11.600 545 H PHE 78 H PHE 78 -2.617 3.031 -11.441 546 HA PHE 78 HA PHE 78 -1.303 1.742 -9.186 547 1HB PHE 78 1HB PHE 78 -0.104 2.330 -11.291 548 2HB PHE 78 2HB PHE 78 -0.287 4.037 -10.982 549 HD1 PHE 78 HD1 PHE 78 0.952 5.016 -8.859 550 HD2 PHE 78 HD2 PHE 78 1.719 1.060 -10.367 551 HE1 PHE 78 HE1 PHE 78 3.129 4.987 -7.709 552 HE2 PHE 78 HE2 PHE 78 3.889 1.047 -9.206 553 HZ PHE 78 HZ PHE 78 4.596 3.004 -7.873 554 H LEU 79 H LEU 79 -2.096 5.176 -9.779 555 HA LEU 79 HA LEU 79 -1.087 6.270 -7.273 556 1HB LEU 79 1HB LEU 79 -3.337 7.369 -9.062 557 2HB LEU 79 2HB LEU 79 -2.602 8.252 -7.741 558 HG LEU 79 HG LEU 79 -1.251 7.397 -10.367 559 1HD1 LEU 79 1HD1 LEU 79 -0.978 9.852 -10.720 560 2HD1 LEU 79 2HD1 LEU 79 -2.689 9.438 -10.509 561 3HD1 LEU 79 3HD1 LEU 79 -1.789 10.193 -9.170 562 1HD2 LEU 79 1HD2 LEU 79 0.114 8.743 -7.938 563 2HD2 LEU 79 2HD2 LEU 79 0.459 7.111 -8.565 564 3HD2 LEU 79 3HD2 LEU 79 0.842 8.530 -9.550 565 H VAL 80 H VAL 80 -4.222 4.923 -8.203 566 HA VAL 80 HA VAL 80 -5.713 5.627 -5.742 567 HB VAL 80 HB VAL 80 -6.708 5.007 -8.045 568 1HG1 VAL 80 1HG1 VAL 80 -8.062 3.657 -5.627 569 2HG1 VAL 80 2HG1 VAL 80 -8.039 5.409 -5.865 570 3HG1 VAL 80 3HG1 VAL 80 -8.843 4.369 -7.063 571 1HG2 VAL 80 1HG2 VAL 80 -7.369 2.687 -8.478 572 2HG2 VAL 80 2HG2 VAL 80 -5.602 2.694 -8.275 573 3HG2 VAL 80 3HG2 VAL 80 -6.635 2.121 -6.957 574 H MET 81 H MET 81 -3.651 2.980 -6.804 575 HA MET 81 HA MET 81 -4.222 0.947 -4.772 576 1HB MET 81 1HB MET 81 -2.782 0.692 -6.937 577 2HB MET 81 2HB MET 81 -1.460 1.385 -6.015 578 1HG MET 81 1HG MET 81 -1.084 -0.936 -5.758 579 2HG MET 81 2HG MET 81 -1.921 -0.537 -4.248 580 1HE MET 81 1HE MET 81 -2.353 -3.186 -4.053 581 2HE MET 81 2HE MET 81 -3.376 -4.116 -5.188 582 3HE MET 81 3HE MET 81 -1.750 -3.575 -5.695 583 H MET 82 H MET 82 -1.589 3.367 -4.939 584 HA MET 82 HA MET 82 -0.508 2.826 -2.260 585 1HB MET 82 1HB MET 82 0.552 5.240 -2.658 586 2HB MET 82 2HB MET 82 -0.096 5.073 -4.279 587 1HG MET 82 1HG MET 82 2.104 4.235 -4.523 588 2HG MET 82 2HG MET 82 1.159 2.749 -4.360 589 1HE MET 82 1HE MET 82 3.986 1.580 -3.381 590 2HE MET 82 2HE MET 82 2.282 1.056 -3.528 591 3HE MET 82 3HE MET 82 3.134 0.885 -1.966 592 H VAL 83 H VAL 83 -2.965 5.011 -3.517 593 HA VAL 83 HA VAL 83 -3.138 6.918 -1.306 594 HB VAL 83 HB VAL 83 -4.818 6.302 -3.692 595 1HG1 VAL 83 1HG1 VAL 83 -6.802 7.615 -2.923 596 2HG1 VAL 83 2HG1 VAL 83 -6.621 6.140 -1.963 597 3HG1 VAL 83 3HG1 VAL 83 -6.132 7.705 -1.274 598 1HG2 VAL 83 1HG2 VAL 83 -4.050 8.978 -2.347 599 2HG2 VAL 83 2HG2 VAL 83 -3.204 8.225 -3.718 600 3HG2 VAL 83 3HG2 VAL 83 -4.867 8.794 -3.920 601 NH1 ARG 84 NH1 ARG 84 -9.970 -1.042 -0.934 602 NH2 ARG 84 NH2 ARG 84 -8.891 -2.212 0.687 603 H ARG 84 H ARG 84 -4.589 3.766 -1.950 604 HA ARG 84 HA ARG 84 -6.758 3.608 -0.059 605 1HB ARG 84 1HB ARG 84 -5.290 1.723 -1.685 606 2HB ARG 84 2HB ARG 84 -5.294 1.079 -0.050 607 1HG ARG 84 1HG ARG 84 -7.706 1.032 0.093 608 2HG ARG 84 2HG ARG 84 -7.908 2.052 -1.333 609 1HD ARG 84 1HD ARG 84 -8.132 0.145 -2.564 610 2HD ARG 84 2HD ARG 84 -6.400 -0.124 -2.358 611 HE ARG 84 HE ARG 84 -6.938 -1.946 -0.869 612 1HH1 ARG 84 1HH1 ARG 84 -7.996 -2.513 1.088 613 2HH1 ARG 84 2HH1 ARG 84 -9.828 -2.417 1.050 614 1HH2 ARG 84 1HH2 ARG 84 -9.898 -0.427 -1.752 615 2HH2 ARG 84 2HH2 ARG 84 -10.832 -1.360 -0.478 616 H GLN 85 H GLN 85 -3.351 2.604 0.439 617 HA GLN 85 HA GLN 85 -3.612 1.931 3.290 618 1HB GLN 85 1HB GLN 85 -0.906 2.494 3.000 619 2HB GLN 85 2HB GLN 85 -1.360 2.193 1.333 620 1HG GLN 85 1HG GLN 85 -2.577 0.014 2.531 621 2HG GLN 85 2HG GLN 85 -0.988 -0.002 1.797 622 1HE2 GLN 85 1HE2 GLN 85 -0.761 0.576 5.905 623 2HE2 GLN 85 2HE2 GLN 85 -1.624 1.767 4.808 624 H MET 86 H MET 86 -2.767 4.852 1.500 625 HA MET 86 HA MET 86 -1.626 6.546 3.513 626 1HB MET 86 1HB MET 86 -2.785 6.967 0.864 627 2HB MET 86 2HB MET 86 -3.373 8.221 1.940 628 1HG MET 86 1HG MET 86 -0.602 8.154 2.551 629 2HG MET 86 2HG MET 86 -0.646 7.844 0.808 630 1HE MET 86 1HE MET 86 -3.160 9.303 -0.376 631 2HE MET 86 2HE MET 86 -2.537 10.952 -0.680 632 3HE MET 86 3HE MET 86 -1.519 9.531 -1.059 633 H LYS 87 H LYS 87 -4.986 5.693 2.870 634 HA LYS 87 HA LYS 87 -6.467 7.612 4.410 635 1HB LYS 87 1HB LYS 87 -7.041 4.654 3.850 636 2HB LYS 87 2HB LYS 87 -8.080 5.579 4.923 637 1HG LYS 87 1HG LYS 87 -7.653 5.955 1.934 638 2HG LYS 87 2HG LYS 87 -8.170 7.339 2.883 639 1HD LYS 87 1HD LYS 87 -10.313 6.492 3.198 640 2HD LYS 87 2HD LYS 87 -9.900 5.683 1.691 641 1HE LYS 87 1HE LYS 87 -9.276 4.233 4.319 642 2HE LYS 87 2HE LYS 87 -10.947 4.276 3.743 643 1HZ LYS 87 1HZ LYS 87 -10.452 2.937 1.995 644 2HZ LYS 87 2HZ LYS 87 -9.205 2.445 2.962 645 3HZ LYS 87 3HZ LYS 87 -8.932 3.541 1.756 646 H GLU 88 H GLU 88 -5.672 4.320 5.575 647 HA GLU 88 HA GLU 88 -6.217 4.736 8.389 648 1HB GLU 88 1HB GLU 88 -4.743 2.670 6.796 649 2HB GLU 88 2HB GLU 88 -4.256 2.789 8.475 650 1HG GLU 88 1HG GLU 88 -6.957 1.970 7.311 651 2HG GLU 88 2HG GLU 88 -6.939 2.686 8.913 652 H ASP 89 H ASP 89 -2.900 4.041 7.402 653 HA ASP 89 HA ASP 89 -1.585 5.345 9.572 654 1HB ASP 89 1HB ASP 89 0.369 5.575 7.606 655 2HB ASP 89 2HB ASP 89 -0.654 4.340 6.910 656 H ALA 90 H ALA 90 -1.721 7.351 10.173 657 HA ALA 90 HA ALA 90 -1.705 9.632 8.113 658 1HB ALA 90 1HB ALA 90 -3.042 10.988 9.745 659 2HB ALA 90 2HB ALA 90 -3.912 9.508 9.297 660 3HB ALA 90 3HB ALA 90 -3.104 9.617 10.880 Start of MODEL 14 Raw file had 660 H/Q atoms Start of MODEL 14 1 1H ALA 1 1H ALA 1 -22.135 -0.670 -18.194 2 2H ALA 1 2H ALA 1 -21.064 -1.111 -19.413 3 3H ALA 1 3H ALA 1 -21.621 -2.266 -18.326 4 HA ALA 1 HA ALA 1 -20.616 -0.787 -16.532 5 1HB ALA 1 1HB ALA 1 -18.584 -2.283 -18.272 6 2HB ALA 1 2HB ALA 1 -19.878 -3.166 -17.440 7 3HB ALA 1 3HB ALA 1 -18.695 -2.225 -16.496 8 H SER 2 H SER 2 -20.241 1.331 -16.582 9 HA SER 2 HA SER 2 -18.041 2.487 -18.346 10 1HB SER 2 1HB SER 2 -20.644 2.711 -19.217 11 2HB SER 2 2HB SER 2 -20.508 4.190 -18.262 12 HG SER 2 HG SER 2 -19.341 3.494 -20.615 13 H MET 3 H MET 3 -17.413 2.104 -15.911 14 HA MET 3 HA MET 3 -18.061 4.529 -14.182 15 1HB MET 3 1HB MET 3 -16.450 2.035 -13.400 16 2HB MET 3 2HB MET 3 -17.000 3.306 -12.323 17 1HG MET 3 1HG MET 3 -19.453 2.612 -13.165 18 2HG MET 3 2HG MET 3 -18.649 1.131 -13.701 19 1HE MET 3 1HE MET 3 -19.407 -0.878 -10.680 20 2HE MET 3 2HE MET 3 -18.049 -0.963 -11.841 21 3HE MET 3 3HE MET 3 -19.687 -0.536 -12.416 22 H THR 4 H THR 4 -16.687 6.148 -14.031 23 HA THR 4 HA THR 4 -13.723 5.752 -14.530 24 HB THR 4 HB THR 4 -13.403 7.296 -16.157 25 HG1 THR 4 HG1 THR 4 -15.947 8.432 -15.792 26 1HG2 THR 4 1HG2 THR 4 -15.092 7.136 -18.000 27 2HG2 THR 4 2HG2 THR 4 -16.250 6.362 -16.896 28 3HG2 THR 4 3HG2 THR 4 -14.730 5.535 -17.321 29 H ASP 5 H ASP 5 -15.412 6.132 -12.163 30 HA ASP 5 HA ASP 5 -14.820 8.896 -11.108 31 1HB ASP 5 1HB ASP 5 -16.771 8.420 -10.065 32 2HB ASP 5 2HB ASP 5 -15.743 7.640 -8.886 33 H GLN 6 H GLN 6 -13.747 5.555 -10.729 34 HA GLN 6 HA GLN 6 -12.085 5.661 -8.398 35 1HB GLN 6 1HB GLN 6 -11.279 3.596 -8.986 36 2HB GLN 6 2HB GLN 6 -12.684 3.659 -10.034 37 1HG GLN 6 1HG GLN 6 -9.910 4.506 -11.045 38 2HG GLN 6 2HG GLN 6 -11.332 4.170 -12.008 39 1HE2 GLN 6 1HE2 GLN 6 -8.950 1.156 -11.963 40 2HE2 GLN 6 2HE2 GLN 6 -8.675 2.958 -12.172 41 H GLN 7 H GLN 7 -11.462 6.770 -11.688 42 HA GLN 7 HA GLN 7 -8.554 7.432 -11.174 43 1HB GLN 7 1HB GLN 7 -8.742 8.396 -13.610 44 2HB GLN 7 2HB GLN 7 -10.352 7.692 -13.641 45 1HG GLN 7 1HG GLN 7 -7.992 6.382 -14.392 46 2HG GLN 7 2HG GLN 7 -8.273 5.713 -12.792 47 1HE2 GLN 7 1HE2 GLN 7 -11.421 5.195 -15.499 48 2HE2 GLN 7 2HE2 GLN 7 -10.598 6.825 -15.320 49 H ALA 8 H ALA 8 -11.665 9.060 -11.698 50 HA ALA 8 HA ALA 8 -10.999 11.800 -11.997 51 1HB ALA 8 1HB ALA 8 -13.178 12.337 -10.921 52 2HB ALA 8 2HB ALA 8 -13.331 10.967 -12.037 53 3HB ALA 8 3HB ALA 8 -13.308 10.683 -10.278 54 H GLU 9 H GLU 9 -10.737 9.791 -9.128 55 HA GLU 9 HA GLU 9 -10.356 12.024 -7.179 56 1HB GLU 9 1HB GLU 9 -9.693 10.114 -5.558 57 2HB GLU 9 2HB GLU 9 -11.353 10.197 -6.132 58 1HG GLU 9 1HG GLU 9 -9.300 8.324 -7.464 59 2HG GLU 9 2HG GLU 9 -11.044 8.325 -7.695 60 H ALA 10 H ALA 10 -8.250 9.526 -8.630 61 HA ALA 10 HA ALA 10 -5.792 10.114 -7.220 62 1HB ALA 10 1HB ALA 10 -4.640 8.883 -9.051 63 2HB ALA 10 2HB ALA 10 -6.111 8.039 -8.532 64 3HB ALA 10 3HB ALA 10 -6.104 8.953 -10.062 65 NH1 ARG 11 NH1 ARG 11 -10.012 13.707 -14.566 66 NH2 ARG 11 NH2 ARG 11 -8.403 13.889 -16.160 67 H ARG 11 H ARG 11 -6.981 11.308 -10.365 68 HA ARG 11 HA ARG 11 -4.610 12.944 -11.079 69 1HB ARG 11 1HB ARG 11 -6.186 13.993 -12.802 70 2HB ARG 11 2HB ARG 11 -5.938 12.257 -12.915 71 1HG ARG 11 1HG ARG 11 -8.228 12.527 -11.218 72 2HG ARG 11 2HG ARG 11 -8.461 13.724 -12.494 73 1HD ARG 11 1HD ARG 11 -7.707 10.797 -13.099 74 2HD ARG 11 2HD ARG 11 -9.385 11.331 -12.978 75 HE ARG 11 HE ARG 11 -7.805 11.580 -15.349 76 1HH1 ARG 11 1HH1 ARG 11 -10.383 13.185 -13.765 77 2HH1 ARG 11 2HH1 ARG 11 -10.410 14.555 -14.986 78 1HH2 ARG 11 1HH2 ARG 11 -7.548 13.503 -16.577 79 2HH2 ARG 11 2HH2 ARG 11 -8.911 14.726 -16.465 80 H ALA 12 H ALA 12 -7.679 13.514 -9.429 81 HA ALA 12 HA ALA 12 -7.567 16.462 -9.235 82 1HB ALA 12 1HB ALA 12 -9.317 16.226 -7.485 83 2HB ALA 12 2HB ALA 12 -9.694 15.235 -8.909 84 3HB ALA 12 3HB ALA 12 -9.069 14.463 -7.430 85 H PHE 13 H PHE 13 -6.170 13.794 -7.422 86 HA PHE 13 HA PHE 13 -5.460 15.257 -4.959 87 1HB PHE 13 1HB PHE 13 -4.358 12.623 -6.093 88 2HB PHE 13 2HB PHE 13 -5.746 12.779 -5.048 89 HD1 PHE 13 HD1 PHE 13 -5.341 13.646 -2.607 90 HD2 PHE 13 HD2 PHE 13 -2.091 12.592 -5.224 91 HE1 PHE 13 HE1 PHE 13 -3.827 13.469 -0.674 92 HE2 PHE 13 HE2 PHE 13 -0.596 12.414 -3.279 93 HZ PHE 13 HZ PHE 13 -1.457 12.852 -1.005 94 H LEU 14 H LEU 14 -3.450 13.983 -7.640 95 HA LEU 14 HA LEU 14 -1.263 16.047 -7.011 96 1HB LEU 14 1HB LEU 14 0.077 14.242 -6.841 97 2HB LEU 14 2HB LEU 14 0.022 14.189 -8.590 98 HG LEU 14 HG LEU 14 -1.991 12.612 -6.885 99 1HD1 LEU 14 1HD1 LEU 14 -2.239 11.220 -8.942 100 2HD1 LEU 14 2HD1 LEU 14 -2.614 12.918 -9.286 101 3HD1 LEU 14 3HD1 LEU 14 -1.053 12.234 -9.804 102 1HD2 LEU 14 1HD2 LEU 14 0.749 11.599 -7.906 103 2HD2 LEU 14 2HD2 LEU 14 0.283 11.825 -6.202 104 3HD2 LEU 14 3HD2 LEU 14 -0.525 10.590 -7.177 105 H SER 15 H SER 15 -0.704 17.432 -8.529 106 HA SER 15 HA SER 15 -2.298 17.702 -11.042 107 1HB SER 15 1HB SER 15 -1.554 19.884 -11.139 108 2HB SER 15 2HB SER 15 0.069 19.509 -10.553 109 HG SER 15 HG SER 15 -1.490 20.621 -9.124 110 H GLU 16 H GLU 16 -0.262 18.873 -12.655 111 HA GLU 16 HA GLU 16 0.770 16.474 -14.063 112 1HB GLU 16 1HB GLU 16 0.962 19.466 -14.621 113 2HB GLU 16 2HB GLU 16 -0.019 18.264 -15.436 114 1HG GLU 16 1HG GLU 16 1.644 18.476 -17.036 115 2HG GLU 16 2HG GLU 16 2.398 17.207 -16.087 116 H GLU 17 H GLU 17 2.070 18.978 -11.974 117 HA GLU 17 HA GLU 17 4.953 18.468 -12.492 118 1HB GLU 17 1HB GLU 17 4.108 20.661 -11.636 119 2HB GLU 17 2HB GLU 17 3.710 19.923 -10.096 120 1HG GLU 17 1HG GLU 17 6.511 20.357 -11.297 121 2HG GLU 17 2HG GLU 17 6.264 19.271 -9.941 122 H MET 18 H MET 18 2.549 17.357 -10.156 123 HA MET 18 HA MET 18 4.404 15.756 -8.445 124 1HB MET 18 1HB MET 18 2.266 14.707 -7.532 125 2HB MET 18 2HB MET 18 1.343 15.675 -8.667 126 1HG MET 18 1HG MET 18 1.665 17.678 -7.482 127 2HG MET 18 2HG MET 18 3.250 17.196 -6.855 128 1HE MET 18 1HE MET 18 0.546 18.492 -5.287 129 2HE MET 18 2HE MET 18 0.728 17.671 -3.709 130 3HE MET 18 3HE MET 18 2.163 18.357 -4.527 131 H ILE 19 H ILE 19 2.340 15.242 -11.262 132 HA ILE 19 HA ILE 19 2.383 12.319 -11.392 133 HB ILE 19 HB ILE 19 1.856 14.461 -13.483 134 1HG1 ILE 19 1HG1 ILE 19 -0.043 12.182 -12.727 135 2HG1 ILE 19 2HG1 ILE 19 0.160 13.512 -11.607 136 1HG2 ILE 19 1HG2 ILE 19 1.335 12.713 -15.203 137 2HG2 ILE 19 2HG2 ILE 19 3.038 12.638 -14.757 138 3HG2 ILE 19 3HG2 ILE 19 1.906 11.431 -14.106 139 1HD1 ILE 19 1HD1 ILE 19 -0.861 13.822 -14.493 140 2HD1 ILE 19 2HD1 ILE 19 -1.790 13.976 -12.988 141 3HD1 ILE 19 3HD1 ILE 19 -0.537 15.177 -13.378 142 H ALA 20 H ALA 20 4.584 14.869 -12.456 143 HA ALA 20 HA ALA 20 6.379 13.594 -14.231 144 1HB ALA 20 1HB ALA 20 8.133 15.176 -13.437 145 2HB ALA 20 2HB ALA 20 6.567 15.987 -13.627 146 3HB ALA 20 3HB ALA 20 7.165 15.576 -11.999 147 H GLU 21 H GLU 21 6.300 13.360 -10.686 148 HA GLU 21 HA GLU 21 8.829 12.069 -10.156 149 1HB GLU 21 1HB GLU 21 6.363 11.376 -8.513 150 2HB GLU 21 2HB GLU 21 6.967 13.021 -8.519 151 1HG GLU 21 1HG GLU 21 8.240 10.505 -7.366 152 2HG GLU 21 2HG GLU 21 9.326 11.762 -7.931 153 H PHE 22 H PHE 22 5.621 10.677 -10.843 154 HA PHE 22 HA PHE 22 6.567 7.843 -10.785 155 1HB PHE 22 1HB PHE 22 3.836 8.768 -11.836 156 2HB PHE 22 2HB PHE 22 4.281 7.205 -11.208 157 HD1 PHE 22 HD1 PHE 22 2.670 10.236 -10.328 158 HD2 PHE 22 HD2 PHE 22 5.239 7.217 -8.650 159 HE1 PHE 22 HE1 PHE 22 2.053 10.957 -8.059 160 HE2 PHE 22 HE2 PHE 22 4.601 7.948 -6.388 161 HZ PHE 22 HZ PHE 22 3.005 9.810 -6.087 162 H LYS 23 H LYS 23 6.321 10.354 -13.157 163 HA LYS 23 HA LYS 23 5.781 8.828 -15.617 164 1HB LYS 23 1HB LYS 23 6.626 11.604 -14.957 165 2HB LYS 23 2HB LYS 23 7.417 11.007 -16.399 166 1HG LYS 23 1HG LYS 23 4.401 10.640 -16.206 167 2HG LYS 23 2HG LYS 23 5.422 10.818 -17.622 168 1HD LYS 23 1HD LYS 23 3.841 12.840 -16.586 169 2HD LYS 23 2HD LYS 23 5.374 13.228 -15.797 170 1HE LYS 23 1HE LYS 23 6.545 13.475 -17.935 171 2HE LYS 23 2HE LYS 23 5.218 12.731 -18.840 172 1HZ LYS 23 1HZ LYS 23 3.951 14.634 -18.669 173 2HZ LYS 23 2HZ LYS 23 5.457 15.312 -18.709 174 3HZ LYS 23 3HZ LYS 23 4.655 15.165 -17.272 175 H ALA 24 H ALA 24 8.689 9.598 -13.772 176 HA ALA 24 HA ALA 24 10.668 8.743 -15.791 177 1HB ALA 24 1HB ALA 24 12.331 8.957 -13.954 178 2HB ALA 24 2HB ALA 24 11.259 10.368 -14.018 179 3HB ALA 24 3HB ALA 24 11.029 9.134 -12.753 180 H ALA 25 H ALA 25 9.533 7.272 -12.729 181 HA ALA 25 HA ALA 25 11.067 4.749 -13.043 182 1HB ALA 25 1HB ALA 25 9.882 4.032 -10.977 183 2HB ALA 25 2HB ALA 25 10.538 5.670 -10.801 184 3HB ALA 25 3HB ALA 25 8.792 5.435 -11.072 185 H PHE 26 H PHE 26 8.050 5.883 -14.254 186 HA PHE 26 HA PHE 26 6.399 3.459 -14.218 187 1HB PHE 26 1HB PHE 26 5.236 5.504 -14.641 188 2HB PHE 26 2HB PHE 26 6.282 5.977 -15.953 189 HD1 PHE 26 HD1 PHE 26 3.326 3.999 -14.980 190 HD2 PHE 26 HD2 PHE 26 6.062 4.740 -18.216 191 HE1 PHE 26 HE1 PHE 26 1.711 3.051 -16.578 192 HE2 PHE 26 HE2 PHE 26 4.436 3.783 -19.798 193 HZ PHE 26 HZ PHE 26 2.256 2.951 -18.986 194 H ASP 27 H ASP 27 8.567 4.866 -16.682 195 HA ASP 27 HA ASP 27 8.236 2.730 -18.683 196 1HB ASP 27 1HB ASP 27 10.314 3.704 -19.781 197 2HB ASP 27 2HB ASP 27 8.954 4.787 -19.591 198 H MET 28 H MET 28 10.380 3.253 -15.954 199 HA MET 28 HA MET 28 12.392 1.187 -16.489 200 1HB MET 28 1HB MET 28 12.181 3.099 -14.520 201 2HB MET 28 2HB MET 28 11.697 1.684 -13.603 202 1HG MET 28 1HG MET 28 14.282 1.600 -15.256 203 2HG MET 28 2HG MET 28 13.820 0.592 -13.875 204 1HE MET 28 1HE MET 28 12.733 2.329 -11.595 205 2HE MET 28 2HE MET 28 13.463 3.940 -11.325 206 3HE MET 28 3HE MET 28 12.333 3.691 -12.689 207 H PHE 29 H PHE 29 9.191 1.157 -15.011 208 HA PHE 29 HA PHE 29 9.336 -1.637 -13.957 209 1HB PHE 29 1HB PHE 29 7.875 0.303 -13.011 210 2HB PHE 29 2HB PHE 29 6.788 0.035 -14.346 211 HD1 PHE 29 HD1 PHE 29 8.546 -2.885 -12.814 212 HD2 PHE 29 HD2 PHE 29 4.929 -0.551 -12.791 213 HE1 PHE 29 HE1 PHE 29 7.399 -4.652 -11.539 214 HE2 PHE 29 HE2 PHE 29 3.800 -2.334 -11.525 215 HZ PHE 29 HZ PHE 29 5.022 -4.391 -10.917 216 H ASP 30 H ASP 30 8.142 0.047 -16.815 217 HA ASP 30 HA ASP 30 6.510 -2.042 -18.011 218 1HB ASP 30 1HB ASP 30 8.043 -0.073 -19.766 219 2HB ASP 30 2HB ASP 30 6.792 0.510 -18.692 220 H ALA 31 H ALA 31 9.847 -1.066 -18.889 221 HA ALA 31 HA ALA 31 11.794 -2.412 -19.429 222 1HB ALA 31 1HB ALA 31 11.716 -4.883 -19.091 223 2HB ALA 31 2HB ALA 31 11.100 -4.007 -17.676 224 3HB ALA 31 3HB ALA 31 9.964 -4.817 -18.786 225 H ASP 32 H ASP 32 9.559 -1.497 -21.208 226 HA ASP 32 HA ASP 32 10.358 -2.910 -23.745 227 1HB ASP 32 1HB ASP 32 7.605 -3.306 -22.539 228 2HB ASP 32 2HB ASP 32 8.653 -4.452 -23.341 229 H GLY 33 H GLY 33 7.373 -1.116 -23.081 230 1HA GLY 33 1HA GLY 33 7.937 1.631 -23.387 231 2HA GLY 33 2HA GLY 33 8.175 1.038 -25.015 232 H GLY 34 H GLY 34 6.447 1.931 -26.016 233 1HA GLY 34 1HA GLY 34 4.143 2.079 -26.818 234 2HA GLY 34 2HA GLY 34 3.704 0.822 -25.655 235 H GLY 35 H GLY 35 2.886 1.329 -23.711 236 1HA GLY 35 1HA GLY 35 2.888 3.791 -22.182 237 2HA GLY 35 2HA GLY 35 1.623 3.993 -23.401 238 H ASP 36 H ASP 36 2.728 1.214 -21.451 239 HA ASP 36 HA ASP 36 0.649 0.932 -19.546 240 1HB ASP 36 1HB ASP 36 -1.187 0.865 -20.976 241 2HB ASP 36 2HB ASP 36 -0.885 -0.830 -20.672 242 H ILE 37 H ILE 37 0.881 -0.911 -18.364 243 HA ILE 37 HA ILE 37 3.249 -2.701 -19.089 244 HB ILE 37 HB ILE 37 2.183 -2.660 -16.277 245 1HG1 ILE 37 1HG1 ILE 37 3.749 -0.328 -17.479 246 2HG1 ILE 37 2HG1 ILE 37 2.376 -0.299 -16.389 247 1HG2 ILE 37 1HG2 ILE 37 4.497 -3.259 -15.677 248 2HG2 ILE 37 2HG2 ILE 37 3.920 -4.322 -16.968 249 3HG2 ILE 37 3HG2 ILE 37 5.047 -2.999 -17.350 250 1HD1 ILE 37 1HD1 ILE 37 5.238 -1.076 -15.564 251 2HD1 ILE 37 2HD1 ILE 37 4.355 0.409 -15.151 252 3HD1 ILE 37 3HD1 ILE 37 3.815 -1.151 -14.489 253 H SER 38 H SER 38 2.656 -4.480 -20.018 254 HA SER 38 HA SER 38 -0.007 -5.788 -19.614 255 1HB SER 38 1HB SER 38 2.221 -7.191 -21.109 256 2HB SER 38 2HB SER 38 1.593 -5.682 -21.779 257 HG SER 38 HG SER 38 -0.556 -6.755 -21.265 258 H THR 39 H THR 39 0.878 -8.480 -19.804 259 HA THR 39 HA THR 39 1.358 -9.115 -16.911 260 HB THR 39 HB THR 39 1.354 -11.589 -18.152 261 HG1 THR 39 HG1 THR 39 0.731 -11.212 -20.072 262 1HG2 THR 39 1HG2 THR 39 -0.976 -11.848 -17.422 263 2HG2 THR 39 2HG2 THR 39 -0.091 -10.926 -16.184 264 3HG2 THR 39 3HG2 THR 39 -1.199 -10.087 -17.302 265 H LYS 40 H LYS 40 2.837 -10.408 -19.915 266 HA LYS 40 HA LYS 40 5.230 -11.493 -18.869 267 1HB LYS 40 1HB LYS 40 4.413 -11.729 -21.212 268 2HB LYS 40 2HB LYS 40 4.932 -10.114 -21.614 269 1HG LYS 40 1HG LYS 40 6.348 -12.601 -21.759 270 2HG LYS 40 2HG LYS 40 7.111 -11.782 -20.422 271 1HD LYS 40 1HD LYS 40 6.949 -10.667 -23.303 272 2HD LYS 40 2HD LYS 40 7.569 -9.804 -21.925 273 1HE LYS 40 1HE LYS 40 9.610 -10.586 -22.330 274 2HE LYS 40 2HE LYS 40 9.093 -12.180 -21.797 275 1HZ LYS 40 1HZ LYS 40 9.848 -12.623 -23.901 276 2HZ LYS 40 2HZ LYS 40 9.445 -11.148 -24.525 277 3HZ LYS 40 3HZ LYS 40 8.280 -12.300 -24.310 278 H GLU 41 H GLU 41 4.431 -8.136 -19.592 279 HA GLU 41 HA GLU 41 7.134 -6.979 -19.396 280 1HB GLU 41 1HB GLU 41 6.229 -4.980 -19.914 281 2HB GLU 41 2HB GLU 41 4.927 -5.112 -18.751 282 1HG GLU 41 1HG GLU 41 4.584 -6.941 -21.109 283 2HG GLU 41 2HG GLU 41 3.421 -5.920 -20.291 284 H LEU 42 H LEU 42 4.417 -7.314 -17.127 285 HA LEU 42 HA LEU 42 5.424 -5.760 -14.897 286 1HB LEU 42 1HB LEU 42 3.689 -8.288 -14.659 287 2HB LEU 42 2HB LEU 42 3.059 -6.738 -15.172 288 HG LEU 42 HG LEU 42 4.442 -7.118 -12.450 289 1HD1 LEU 42 1HD1 LEU 42 1.404 -7.210 -12.960 290 2HD1 LEU 42 2HD1 LEU 42 2.403 -8.650 -12.713 291 3HD1 LEU 42 3HD1 LEU 42 2.246 -7.448 -11.407 292 1HD2 LEU 42 1HD2 LEU 42 3.334 -5.008 -11.799 293 2HD2 LEU 42 2HD2 LEU 42 4.216 -4.721 -13.319 294 3HD2 LEU 42 3HD2 LEU 42 2.456 -4.930 -13.348 295 H GLY 43 H GLY 43 5.695 -9.255 -15.572 296 1HA GLY 43 1HA GLY 43 7.265 -10.942 -14.815 297 2HA GLY 43 2HA GLY 43 7.067 -10.174 -13.237 298 H THR 44 H THR 44 8.311 -8.336 -15.935 299 HA THR 44 HA THR 44 11.104 -8.919 -15.919 300 HB THR 44 HB THR 44 9.689 -6.296 -16.564 301 HG1 THR 44 HG1 THR 44 11.043 -8.199 -18.158 302 1HG2 THR 44 1HG2 THR 44 11.782 -5.508 -17.683 303 2HG2 THR 44 2HG2 THR 44 11.998 -5.619 -15.924 304 3HG2 THR 44 3HG2 THR 44 12.686 -6.875 -16.985 305 H VAL 45 H VAL 45 9.691 -6.052 -14.313 306 HA VAL 45 HA VAL 45 12.103 -5.473 -12.715 307 HB VAL 45 HB VAL 45 9.412 -4.227 -13.026 308 1HG1 VAL 45 1HG1 VAL 45 12.162 -2.913 -12.561 309 2HG1 VAL 45 2HG1 VAL 45 11.582 -3.415 -14.154 310 3HG1 VAL 45 3HG1 VAL 45 10.698 -2.163 -13.251 311 1HG2 VAL 45 1HG2 VAL 45 9.440 -2.851 -11.009 312 2HG2 VAL 45 2HG2 VAL 45 9.532 -4.541 -10.462 313 3HG2 VAL 45 3HG2 VAL 45 10.992 -3.541 -10.466 314 H MET 46 H MET 46 9.131 -7.287 -12.210 315 HA MET 46 HA MET 46 9.098 -7.667 -9.351 316 1HB MET 46 1HB MET 46 8.156 -10.098 -10.072 317 2HB MET 46 2HB MET 46 8.098 -9.359 -11.661 318 1HG MET 46 1HG MET 46 6.838 -7.370 -10.166 319 2HG MET 46 2HG MET 46 6.004 -8.663 -11.045 320 1HE MET 46 1HE MET 46 6.673 -11.357 -9.503 321 2HE MET 46 2HE MET 46 5.378 -11.409 -8.271 322 3HE MET 46 3HE MET 46 4.996 -10.904 -9.943 323 NH1 ARG 47 NH1 ARG 47 17.800 -11.220 -12.694 324 NH2 ARG 47 NH2 ARG 47 18.664 -9.465 -13.850 325 H ARG 47 H ARG 47 11.080 -9.137 -11.862 326 HA ARG 47 HA ARG 47 12.143 -11.459 -10.437 327 1HB ARG 47 1HB ARG 47 12.398 -10.490 -13.026 328 2HB ARG 47 2HB ARG 47 13.237 -11.875 -12.340 329 1HG ARG 47 1HG ARG 47 14.356 -9.011 -12.502 330 2HG ARG 47 2HG ARG 47 15.158 -10.328 -11.645 331 1HD ARG 47 1HD ARG 47 15.292 -11.673 -13.798 332 2HD ARG 47 2HD ARG 47 14.460 -10.382 -14.650 333 HE ARG 47 HE ARG 47 16.455 -9.052 -14.688 334 1HH1 ARG 47 1HH1 ARG 47 16.970 -11.777 -12.458 335 2HH1 ARG 47 2HH1 ARG 47 18.757 -11.369 -12.355 336 1HH2 ARG 47 1HH2 ARG 47 18.498 -8.683 -14.493 337 2HH2 ARG 47 2HH2 ARG 47 19.560 -9.737 -13.431 338 H MET 48 H MET 48 13.115 -8.070 -10.606 339 HA MET 48 HA MET 48 15.768 -8.053 -9.566 340 1HB MET 48 1HB MET 48 14.127 -6.017 -10.227 341 2HB MET 48 2HB MET 48 15.598 -5.806 -9.294 342 1HG MET 48 1HG MET 48 13.124 -4.830 -8.527 343 2HG MET 48 2HG MET 48 13.152 -6.349 -7.616 344 1HE MET 48 1HE MET 48 13.925 -2.708 -7.388 345 2HE MET 48 2HE MET 48 15.601 -2.554 -6.785 346 3HE MET 48 3HE MET 48 15.305 -3.050 -8.476 347 H LEU 49 H LEU 49 12.731 -8.594 -7.878 348 HA LEU 49 HA LEU 49 13.351 -8.165 -5.131 349 1HB LEU 49 1HB LEU 49 11.755 -10.144 -4.635 350 2HB LEU 49 2HB LEU 49 11.636 -10.398 -6.362 351 HG LEU 49 HG LEU 49 10.780 -7.957 -6.576 352 1HD1 LEU 49 1HD1 LEU 49 10.390 -8.182 -3.526 353 2HD1 LEU 49 2HD1 LEU 49 11.634 -7.185 -4.302 354 3HD1 LEU 49 3HD1 LEU 49 9.911 -6.819 -4.569 355 1HD2 LEU 49 1HD2 LEU 49 8.455 -8.551 -6.030 356 2HD2 LEU 49 2HD2 LEU 49 9.254 -10.033 -6.611 357 3HD2 LEU 49 3HD2 LEU 49 8.981 -9.804 -4.878 358 H GLY 50 H GLY 50 13.212 -11.530 -6.234 359 1HA GLY 50 1HA GLY 50 16.026 -12.223 -5.383 360 2HA GLY 50 2HA GLY 50 14.790 -12.730 -4.224 361 H GLN 51 H GLN 51 12.708 -13.520 -5.721 362 HA GLN 51 HA GLN 51 13.602 -16.186 -6.799 363 1HB GLN 51 1HB GLN 51 11.205 -16.737 -6.945 364 2HB GLN 51 2HB GLN 51 11.651 -16.153 -5.353 365 1HG GLN 51 1HG GLN 51 10.441 -14.129 -5.569 366 2HG GLN 51 2HG GLN 51 10.508 -14.125 -7.318 367 1HE2 GLN 51 1HE2 GLN 51 6.994 -15.045 -6.625 368 2HE2 GLN 51 2HE2 GLN 51 8.131 -13.610 -6.748 369 H ASN 52 H ASN 52 11.726 -16.625 -8.769 370 HA ASN 52 HA ASN 52 12.063 -14.478 -10.874 371 1HB ASN 52 1HB ASN 52 13.875 -16.483 -10.906 372 2HB ASN 52 2HB ASN 52 12.620 -17.340 -11.774 373 1HD2 ASN 52 1HD2 ASN 52 14.979 -15.274 -14.056 374 2HD2 ASN 52 2HD2 ASN 52 15.323 -16.229 -12.527 375 HA PRO 53 HA PRO 53 7.495 -15.987 -10.746 376 1HB PRO 53 1HB PRO 53 7.338 -13.523 -12.532 377 2HB PRO 53 2HB PRO 53 6.306 -14.069 -11.201 378 1HG PRO 53 1HG PRO 53 8.142 -12.066 -10.851 379 2HG PRO 53 2HG PRO 53 7.665 -13.133 -9.510 380 1HD PRO 53 1HD PRO 53 9.987 -13.698 -9.492 381 2HD PRO 53 2HD PRO 53 10.234 -13.114 -11.164 382 H THR 54 H THR 54 6.103 -16.592 -12.574 383 HA THR 54 HA THR 54 7.608 -17.295 -15.146 384 HB THR 54 HB THR 54 7.070 -19.241 -13.403 385 HG1 THR 54 HG1 THR 54 7.804 -19.112 -15.756 386 1HG2 THR 54 1HG2 THR 54 5.031 -20.525 -13.961 387 2HG2 THR 54 2HG2 THR 54 4.578 -18.933 -13.309 388 3HG2 THR 54 3HG2 THR 54 4.471 -19.242 -15.060 389 H LYS 55 H LYS 55 6.141 -17.678 -16.970 390 HA LYS 55 HA LYS 55 4.378 -15.350 -17.337 391 1HB LYS 55 1HB LYS 55 5.830 -16.978 -19.063 392 2HB LYS 55 2HB LYS 55 4.701 -15.731 -19.549 393 1HG LYS 55 1HG LYS 55 4.421 -17.904 -20.757 394 2HG LYS 55 2HG LYS 55 3.992 -18.712 -19.260 395 1HD LYS 55 1HD LYS 55 2.196 -16.438 -19.460 396 2HD LYS 55 2HD LYS 55 2.323 -17.097 -21.084 397 1HE LYS 55 1HE LYS 55 1.855 -19.097 -18.859 398 2HE LYS 55 2HE LYS 55 0.512 -18.030 -19.256 399 1HZ LYS 55 1HZ LYS 55 0.156 -19.713 -20.739 400 2HZ LYS 55 2HZ LYS 55 1.746 -20.141 -20.873 401 3HZ LYS 55 3HZ LYS 55 1.170 -18.833 -21.702 402 H GLU 56 H GLU 56 3.896 -18.782 -16.698 403 HA GLU 56 HA GLU 56 1.034 -18.970 -17.352 404 1HB GLU 56 1HB GLU 56 1.345 -21.028 -15.579 405 2HB GLU 56 2HB GLU 56 3.032 -20.745 -15.962 406 1HG GLU 56 1HG GLU 56 1.091 -20.979 -18.303 407 2HG GLU 56 2HG GLU 56 2.788 -21.420 -18.222 408 H GLU 57 H GLU 57 2.699 -18.966 -14.178 409 HA GLU 57 HA GLU 57 0.275 -18.647 -12.551 410 1HB GLU 57 1HB GLU 57 2.967 -19.208 -11.996 411 2HB GLU 57 2HB GLU 57 1.611 -19.181 -10.889 412 1HG GLU 57 1HG GLU 57 3.733 -17.013 -11.349 413 2HG GLU 57 2HG GLU 57 2.181 -16.549 -10.665 414 H LEU 58 H LEU 58 2.506 -16.400 -14.076 415 HA LEU 58 HA LEU 58 2.030 -13.974 -12.628 416 1HB LEU 58 1HB LEU 58 3.429 -14.748 -14.983 417 2HB LEU 58 2HB LEU 58 2.341 -13.485 -15.524 418 HG LEU 58 HG LEU 58 3.529 -12.521 -13.064 419 1HD1 LEU 58 1HD1 LEU 58 4.342 -11.728 -15.939 420 2HD1 LEU 58 2HD1 LEU 58 2.872 -11.141 -15.148 421 3HD1 LEU 58 3HD1 LEU 58 4.465 -10.728 -14.469 422 1HD2 LEU 58 1HD2 LEU 58 5.957 -12.727 -13.449 423 2HD2 LEU 58 2HD2 LEU 58 5.254 -14.362 -13.401 424 3HD2 LEU 58 3HD2 LEU 58 5.692 -13.635 -14.958 425 H ASP 59 H ASP 59 0.157 -15.561 -15.153 426 HA ASP 59 HA ASP 59 -1.640 -13.463 -15.978 427 1HB ASP 59 1HB ASP 59 -1.544 -15.539 -17.252 428 2HB ASP 59 2HB ASP 59 -2.119 -16.489 -15.902 429 H ALA 60 H ALA 60 -1.874 -15.768 -13.281 430 HA ALA 60 HA ALA 60 -4.485 -14.841 -12.234 431 1HB ALA 60 1HB ALA 60 -3.938 -16.230 -10.241 432 2HB ALA 60 2HB ALA 60 -3.649 -17.119 -11.749 433 3HB ALA 60 3HB ALA 60 -2.273 -16.467 -10.824 434 H ILE 61 H ILE 61 -1.082 -14.121 -11.553 435 HA ILE 61 HA ILE 61 -1.240 -12.428 -9.238 436 HB ILE 61 HB ILE 61 0.730 -12.839 -11.384 437 1HG1 ILE 61 1HG1 ILE 61 1.891 -13.553 -9.567 438 2HG1 ILE 61 2HG1 ILE 61 0.581 -13.050 -8.520 439 1HG2 ILE 61 1HG2 ILE 61 2.011 -10.695 -11.121 440 2HG2 ILE 61 2HG2 ILE 61 0.432 -10.390 -11.843 441 3HG2 ILE 61 3HG2 ILE 61 0.701 -10.014 -10.125 442 1HD1 ILE 61 1HD1 ILE 61 1.571 -10.804 -8.161 443 2HD1 ILE 61 2HD1 ILE 61 2.751 -12.078 -7.788 444 3HD1 ILE 61 3HD1 ILE 61 2.883 -11.173 -9.314 445 H ILE 62 H ILE 62 -1.963 -11.789 -12.637 446 HA ILE 62 HA ILE 62 -2.422 -8.852 -12.315 447 HB ILE 62 HB ILE 62 -2.854 -10.762 -14.653 448 1HG1 ILE 62 1HG1 ILE 62 -0.663 -8.949 -13.786 449 2HG1 ILE 62 2HG1 ILE 62 -0.632 -10.284 -14.918 450 1HG2 ILE 62 1HG2 ILE 62 -3.539 -8.818 -16.086 451 2HG2 ILE 62 2HG2 ILE 62 -4.710 -9.068 -14.793 452 3HG2 ILE 62 3HG2 ILE 62 -3.531 -7.743 -14.665 453 1HD1 ILE 62 1HD1 ILE 62 -1.467 -7.415 -15.652 454 2HD1 ILE 62 2HD1 ILE 62 0.022 -8.267 -16.110 455 3HD1 ILE 62 3HD1 ILE 62 -1.541 -8.812 -16.761 456 H GLU 63 H GLU 63 -4.368 -11.813 -12.617 457 HA GLU 63 HA GLU 63 -7.037 -10.838 -12.631 458 1HB GLU 63 1HB GLU 63 -6.245 -13.284 -12.681 459 2HB GLU 63 2HB GLU 63 -6.195 -13.242 -10.929 460 1HG GLU 63 1HG GLU 63 -8.306 -14.254 -11.597 461 2HG GLU 63 2HG GLU 63 -8.679 -12.693 -10.885 462 H GLU 64 H GLU 64 -4.727 -10.984 -9.974 463 HA GLU 64 HA GLU 64 -6.529 -10.362 -7.750 464 1HB GLU 64 1HB GLU 64 -3.640 -9.509 -7.565 465 2HB GLU 64 2HB GLU 64 -3.943 -11.207 -7.878 466 1HG GLU 64 1HG GLU 64 -3.912 -11.281 -5.559 467 2HG GLU 64 2HG GLU 64 -5.628 -10.976 -5.767 468 H VAL 65 H VAL 65 -4.248 -8.320 -9.606 469 HA VAL 65 HA VAL 65 -5.652 -5.798 -8.614 470 HB VAL 65 HB VAL 65 -3.367 -5.641 -8.072 471 1HG1 VAL 65 1HG1 VAL 65 -3.547 -4.010 -10.687 472 2HG1 VAL 65 2HG1 VAL 65 -4.379 -3.559 -9.187 473 3HG1 VAL 65 3HG1 VAL 65 -2.600 -3.624 -9.228 474 1HG2 VAL 65 1HG2 VAL 65 -1.425 -6.059 -9.498 475 2HG2 VAL 65 2HG2 VAL 65 -2.489 -7.475 -9.671 476 3HG2 VAL 65 3HG2 VAL 65 -2.436 -6.255 -10.951 477 H ASP 66 H ASP 66 -7.430 -5.990 -9.991 478 HA ASP 66 HA ASP 66 -7.385 -4.629 -12.519 479 1HB ASP 66 1HB ASP 66 -8.073 -7.144 -13.707 480 2HB ASP 66 2HB ASP 66 -6.580 -7.432 -12.843 481 H GLU 67 H GLU 67 -9.036 -3.903 -11.035 482 HA GLU 67 HA GLU 67 -11.525 -5.479 -10.540 483 1HB GLU 67 1HB GLU 67 -12.480 -3.426 -9.608 484 2HB GLU 67 2HB GLU 67 -11.182 -2.446 -10.264 485 1HG GLU 67 1HG GLU 67 -9.659 -3.076 -8.591 486 2HG GLU 67 2HG GLU 67 -10.311 -4.698 -8.432 487 H ASP 68 H ASP 68 -10.302 -3.235 -12.950 488 HA ASP 68 HA ASP 68 -12.922 -2.839 -14.350 489 1HB ASP 68 1HB ASP 68 -11.168 -1.882 -16.206 490 2HB ASP 68 2HB ASP 68 -11.829 -0.947 -14.885 491 H GLY 69 H GLY 69 -10.059 -4.866 -14.643 492 1HA GLY 69 1HA GLY 69 -9.919 -7.100 -15.673 493 2HA GLY 69 2HA GLY 69 -11.548 -6.869 -16.321 494 H SER 70 H SER 70 -8.699 -4.770 -16.642 495 HA SER 70 HA SER 70 -8.959 -4.660 -19.657 496 1HB SER 70 1HB SER 70 -8.506 -2.517 -18.910 497 2HB SER 70 2HB SER 70 -6.877 -3.062 -19.320 498 HG SER 70 HG SER 70 -6.526 -3.541 -17.160 499 H GLY 71 H GLY 71 -6.768 -5.833 -17.119 500 1HA GLY 71 1HA GLY 71 -5.389 -7.923 -17.354 501 2HA GLY 71 2HA GLY 71 -5.398 -7.693 -19.108 502 H THR 72 H THR 72 -4.828 -4.843 -18.971 503 HA THR 72 HA THR 72 -1.822 -4.964 -18.528 504 HB THR 72 HB THR 72 -2.075 -2.544 -19.689 505 HG1 THR 72 HG1 THR 72 -3.677 -2.878 -21.362 506 1HG2 THR 72 1HG2 THR 72 -1.617 -3.522 -21.901 507 2HG2 THR 72 2HG2 THR 72 -0.694 -4.419 -20.675 508 3HG2 THR 72 3HG2 THR 72 -2.170 -5.129 -21.382 509 H ILE 73 H ILE 73 -1.148 -2.424 -18.036 510 HA ILE 73 HA ILE 73 -2.697 -1.395 -15.629 511 HB ILE 73 HB ILE 73 0.195 -2.364 -15.476 512 1HG1 ILE 73 1HG1 ILE 73 -1.101 -4.192 -14.768 513 2HG1 ILE 73 2HG1 ILE 73 -2.426 -3.199 -14.198 514 1HG2 ILE 73 1HG2 ILE 73 0.444 -1.247 -13.263 515 2HG2 ILE 73 2HG2 ILE 73 0.096 -0.033 -14.501 516 3HG2 ILE 73 3HG2 ILE 73 -1.186 -0.547 -13.379 517 1HD1 ILE 73 1HD1 ILE 73 -1.221 -2.575 -12.122 518 2HD1 ILE 73 2HD1 ILE 73 -1.284 -4.340 -12.311 519 3HD1 ILE 73 3HD1 ILE 73 0.226 -3.467 -12.666 520 H ASP 74 H ASP 74 -3.179 0.103 -17.371 521 HA ASP 74 HA ASP 74 -1.291 1.789 -18.769 522 1HB ASP 74 1HB ASP 74 -3.059 3.175 -19.422 523 2HB ASP 74 2HB ASP 74 -3.909 3.037 -17.901 524 H PHE 75 H PHE 75 -1.053 4.187 -18.354 525 HA PHE 75 HA PHE 75 0.526 4.571 -15.917 526 1HB PHE 75 1HB PHE 75 0.964 5.797 -18.066 527 2HB PHE 75 2HB PHE 75 -0.522 6.690 -17.889 528 HD1 PHE 75 HD1 PHE 75 2.858 7.127 -17.616 529 HD2 PHE 75 HD2 PHE 75 -0.626 7.690 -15.153 530 HE1 PHE 75 HE1 PHE 75 4.036 8.863 -16.329 531 HE2 PHE 75 HE2 PHE 75 0.568 9.430 -13.883 532 HZ PHE 75 HZ PHE 75 2.893 10.020 -14.467 533 H GLU 76 H GLU 76 -2.606 5.932 -16.978 534 HA GLU 76 HA GLU 76 -3.256 7.508 -14.648 535 1HB GLU 76 1HB GLU 76 -4.430 7.376 -17.001 536 2HB GLU 76 2HB GLU 76 -5.266 7.950 -15.574 537 1HG GLU 76 1HG GLU 76 -5.559 5.132 -16.793 538 2HG GLU 76 2HG GLU 76 -6.337 5.651 -15.313 539 H GLU 77 H GLU 77 -3.627 4.078 -15.302 540 HA GLU 77 HA GLU 77 -5.394 3.400 -13.025 541 1HB GLU 77 1HB GLU 77 -5.567 1.773 -14.624 542 2HB GLU 77 2HB GLU 77 -3.882 1.840 -15.085 543 1HG GLU 77 1HG GLU 77 -3.183 0.355 -13.332 544 2HG GLU 77 2HG GLU 77 -4.617 0.656 -12.357 545 H PHE 78 H PHE 78 -1.892 3.395 -13.559 546 HA PHE 78 HA PHE 78 -1.052 2.046 -11.095 547 1HB PHE 78 1HB PHE 78 0.403 2.506 -13.169 548 2HB PHE 78 2HB PHE 78 0.550 4.169 -12.661 549 HD1 PHE 78 HD1 PHE 78 0.397 1.860 -9.821 550 HD2 PHE 78 HD2 PHE 78 3.088 3.463 -12.771 551 HE1 PHE 78 HE1 PHE 78 2.324 1.214 -8.431 552 HE2 PHE 78 HE2 PHE 78 5.002 2.789 -11.379 553 HZ PHE 78 HZ PHE 78 4.626 1.664 -9.211 554 H LEU 79 H LEU 79 -1.662 5.434 -11.949 555 HA LEU 79 HA LEU 79 -0.732 6.699 -9.482 556 1HB LEU 79 1HB LEU 79 -2.549 7.573 -11.757 557 2HB LEU 79 2HB LEU 79 -2.590 8.514 -10.282 558 HG LEU 79 HG LEU 79 -0.964 9.175 -12.287 559 1HD1 LEU 79 1HD1 LEU 79 0.540 10.348 -10.677 560 2HD1 LEU 79 2HD1 LEU 79 -1.146 10.436 -10.134 561 3HD1 LEU 79 3HD1 LEU 79 -0.020 9.302 -9.348 562 1HD2 LEU 79 1HD2 LEU 79 0.837 7.175 -10.759 563 2HD2 LEU 79 2HD2 LEU 79 0.311 7.030 -12.455 564 3HD2 LEU 79 3HD2 LEU 79 1.393 8.348 -11.981 565 H VAL 80 H VAL 80 -3.782 5.222 -10.432 566 HA VAL 80 HA VAL 80 -5.343 6.090 -8.059 567 HB VAL 80 HB VAL 80 -5.898 4.106 -10.295 568 1HG1 VAL 80 1HG1 VAL 80 -7.507 6.590 -9.435 569 2HG1 VAL 80 2HG1 VAL 80 -6.214 6.648 -10.640 570 3HG1 VAL 80 3HG1 VAL 80 -7.658 5.657 -10.947 571 1HG2 VAL 80 1HG2 VAL 80 -8.115 3.561 -9.398 572 2HG2 VAL 80 2HG2 VAL 80 -6.927 3.127 -8.147 573 3HG2 VAL 80 3HG2 VAL 80 -7.876 4.612 -7.981 574 H MET 81 H MET 81 -3.313 3.355 -8.937 575 HA MET 81 HA MET 81 -3.972 1.469 -6.814 576 1HB MET 81 1HB MET 81 -1.766 1.747 -8.789 577 2HB MET 81 2HB MET 81 -1.219 1.076 -7.263 578 1HG MET 81 1HG MET 81 -1.847 -0.771 -8.754 579 2HG MET 81 2HG MET 81 -2.996 -0.729 -7.407 580 1HE MET 81 1HE MET 81 -5.323 -1.269 -7.848 581 2HE MET 81 2HE MET 81 -6.052 -1.313 -9.482 582 3HE MET 81 3HE MET 81 -4.618 -2.317 -9.120 583 H MET 82 H MET 82 -1.694 4.189 -6.975 584 HA MET 82 HA MET 82 -0.590 3.707 -4.229 585 1HB MET 82 1HB MET 82 0.572 6.036 -4.832 586 2HB MET 82 2HB MET 82 -0.001 5.704 -6.456 587 1HG MET 82 1HG MET 82 1.827 4.388 -6.803 588 2HG MET 82 2HG MET 82 1.233 3.251 -5.586 589 1HE MET 82 1HE MET 82 3.655 2.464 -4.543 590 2HE MET 82 2HE MET 82 5.002 3.640 -4.487 591 3HE MET 82 3HE MET 82 4.197 3.282 -6.043 592 H VAL 83 H VAL 83 -2.918 5.816 -5.809 593 HA VAL 83 HA VAL 83 -3.126 7.874 -3.707 594 HB VAL 83 HB VAL 83 -4.439 7.359 -6.304 595 1HG1 VAL 83 1HG1 VAL 83 -6.505 8.703 -5.883 596 2HG1 VAL 83 2HG1 VAL 83 -6.533 7.206 -4.941 597 3HG1 VAL 83 3HG1 VAL 83 -6.148 8.745 -4.137 598 1HG2 VAL 83 1HG2 VAL 83 -3.880 9.990 -4.779 599 2HG2 VAL 83 2HG2 VAL 83 -2.811 9.244 -5.989 600 3HG2 VAL 83 3HG2 VAL 83 -4.397 9.856 -6.480 601 NH1 ARG 84 NH1 ARG 84 -8.274 -0.766 -6.447 602 NH2 ARG 84 NH2 ARG 84 -7.304 -1.911 -4.741 603 H ARG 84 H ARG 84 -4.697 4.797 -4.372 604 HA ARG 84 HA ARG 84 -7.095 4.956 -2.742 605 1HB ARG 84 1HB ARG 84 -5.657 2.862 -4.169 606 2HB ARG 84 2HB ARG 84 -6.023 2.268 -2.556 607 1HG ARG 84 1HG ARG 84 -8.297 3.651 -4.003 608 2HG ARG 84 2HG ARG 84 -8.348 2.309 -2.856 609 1HD ARG 84 1HD ARG 84 -8.768 1.920 -5.500 610 2HD ARG 84 2HD ARG 84 -7.007 1.827 -5.568 611 HE ARG 84 HE ARG 84 -8.111 0.091 -3.413 612 1HH1 ARG 84 1HH1 ARG 84 -8.676 0.118 -6.779 613 2HH1 ARG 84 2HH1 ARG 84 -8.166 -1.633 -6.984 614 1HH2 ARG 84 1HH2 ARG 84 -7.013 -1.918 -3.757 615 2HH2 ARG 84 2HH2 ARG 84 -7.213 -2.680 -5.415 616 H GLN 85 H GLN 85 -3.747 4.108 -1.922 617 HA GLN 85 HA GLN 85 -4.186 3.111 0.797 618 1HB GLN 85 1HB GLN 85 -1.679 3.669 1.108 619 2HB GLN 85 2HB GLN 85 -1.690 4.282 -0.535 620 1HG GLN 85 1HG GLN 85 -1.626 2.200 -1.472 621 2HG GLN 85 2HG GLN 85 -2.867 1.558 -0.420 622 1HE2 GLN 85 1HE2 GLN 85 0.830 1.485 1.460 623 2HE2 GLN 85 2HE2 GLN 85 0.099 3.053 0.846 624 H MET 86 H MET 86 -3.732 6.321 -0.571 625 HA MET 86 HA MET 86 -3.100 8.008 1.647 626 1HB MET 86 1HB MET 86 -3.765 8.500 -0.962 627 2HB MET 86 2HB MET 86 -3.555 9.722 0.278 628 1HG MET 86 1HG MET 86 -6.177 9.414 0.719 629 2HG MET 86 2HG MET 86 -6.181 8.514 -0.804 630 1HE MET 86 1HE MET 86 -5.932 9.530 -3.204 631 2HE MET 86 2HE MET 86 -5.231 11.141 -3.538 632 3HE MET 86 3HE MET 86 -4.210 9.854 -2.832 633 H LYS 87 H LYS 87 -6.158 6.493 0.755 634 HA LYS 87 HA LYS 87 -8.137 7.758 2.332 635 1HB LYS 87 1HB LYS 87 -8.920 5.168 2.802 636 2HB LYS 87 2HB LYS 87 -7.758 4.870 1.518 637 1HG LYS 87 1HG LYS 87 -8.986 6.008 -0.125 638 2HG LYS 87 2HG LYS 87 -9.813 7.056 1.016 639 1HD LYS 87 1HD LYS 87 -11.511 5.572 0.251 640 2HD LYS 87 2HD LYS 87 -10.417 4.195 0.203 641 1HE LYS 87 1HE LYS 87 -10.477 3.925 2.662 642 2HE LYS 87 2HE LYS 87 -11.340 5.455 2.871 643 1HZ LYS 87 1HZ LYS 87 -12.720 3.679 1.081 644 2HZ LYS 87 2HZ LYS 87 -13.274 4.451 2.433 645 3HZ LYS 87 3HZ LYS 87 -12.493 3.003 2.571 646 H GLU 88 H GLU 88 -6.124 5.008 3.449 647 HA GLU 88 HA GLU 88 -6.064 6.174 6.267 648 1HB GLU 88 1HB GLU 88 -6.611 3.977 7.284 649 2HB GLU 88 2HB GLU 88 -6.873 3.269 5.702 650 1HG GLU 88 1HG GLU 88 -8.731 5.161 5.409 651 2HG GLU 88 2HG GLU 88 -8.581 5.374 7.144 652 H ASP 89 H ASP 89 -3.935 6.690 5.942 653 HA ASP 89 HA ASP 89 -1.945 4.369 5.704 654 1HB ASP 89 1HB ASP 89 -0.852 7.127 5.281 655 2HB ASP 89 2HB ASP 89 -2.016 6.623 4.077 656 H ALA 90 H ALA 90 -2.260 3.934 7.915 657 HA ALA 90 HA ALA 90 -1.436 3.915 10.189 658 1HB ALA 90 1HB ALA 90 0.434 5.463 10.818 659 2HB ALA 90 2HB ALA 90 0.777 4.659 9.274 660 3HB ALA 90 3HB ALA 90 0.247 6.359 9.290 Start of MODEL 15 Raw file had 660 H/Q atoms Start of MODEL 15 1 1H ALA 1 1H ALA 1 -23.487 2.309 -1.727 2 2H ALA 1 2H ALA 1 -22.911 1.179 -0.623 3 3H ALA 1 3H ALA 1 -23.324 2.725 -0.106 4 HA ALA 1 HA ALA 1 -21.478 3.699 -0.838 5 1HB ALA 1 1HB ALA 1 -19.522 1.908 -0.634 6 2HB ALA 1 2HB ALA 1 -20.814 0.779 -0.183 7 3HB ALA 1 3HB ALA 1 -20.527 2.240 0.797 8 H SER 2 H SER 2 -22.421 4.012 -3.035 9 HA SER 2 HA SER 2 -21.169 2.353 -5.260 10 1HB SER 2 1HB SER 2 -23.048 4.619 -5.913 11 2HB SER 2 2HB SER 2 -22.881 3.025 -6.653 12 HG SER 2 HG SER 2 -24.726 3.624 -5.135 13 H MET 3 H MET 3 -19.074 3.022 -5.312 14 HA MET 3 HA MET 3 -18.491 5.935 -6.050 15 1HB MET 3 1HB MET 3 -16.695 4.331 -4.152 16 2HB MET 3 2HB MET 3 -16.537 6.020 -4.597 17 1HG MET 3 1HG MET 3 -19.162 5.881 -3.493 18 2HG MET 3 2HG MET 3 -18.215 4.769 -2.495 19 1HE MET 3 1HE MET 3 -19.467 8.150 -2.884 20 2HE MET 3 2HE MET 3 -18.129 8.642 -3.964 21 3HE MET 3 3HE MET 3 -18.223 9.303 -2.305 22 H THR 4 H THR 4 -17.915 5.739 -8.100 23 HA THR 4 HA THR 4 -16.224 3.405 -9.035 24 HB THR 4 HB THR 4 -17.344 5.200 -11.118 25 HG1 THR 4 HG1 THR 4 -19.159 3.455 -10.023 26 1HG2 THR 4 1HG2 THR 4 -16.981 2.201 -10.784 27 2HG2 THR 4 2HG2 THR 4 -16.612 3.238 -12.180 28 3HG2 THR 4 3HG2 THR 4 -18.297 2.771 -11.832 29 H ASP 5 H ASP 5 -16.236 6.888 -8.703 30 HA ASP 5 HA ASP 5 -13.670 7.323 -10.207 31 1HB ASP 5 1HB ASP 5 -15.407 9.084 -10.297 32 2HB ASP 5 2HB ASP 5 -13.877 9.681 -9.696 33 H GLN 6 H GLN 6 -12.514 5.744 -8.947 34 HA GLN 6 HA GLN 6 -11.876 6.279 -6.034 35 1HB GLN 6 1HB GLN 6 -12.086 3.924 -7.384 36 2HB GLN 6 2HB GLN 6 -11.176 4.142 -5.901 37 1HG GLN 6 1HG GLN 6 -9.048 4.241 -7.067 38 2HG GLN 6 2HG GLN 6 -9.804 4.472 -8.627 39 1HE2 GLN 6 1HE2 GLN 6 -9.247 0.949 -9.086 40 2HE2 GLN 6 2HE2 GLN 6 -8.703 2.655 -9.486 41 H GLN 7 H GLN 7 -10.445 6.523 -9.254 42 HA GLN 7 HA GLN 7 -7.677 7.280 -8.432 43 1HB GLN 7 1HB GLN 7 -8.384 8.351 -11.076 44 2HB GLN 7 2HB GLN 7 -7.184 7.150 -10.617 45 1HG GLN 7 1HG GLN 7 -8.444 5.800 -11.977 46 2HG GLN 7 2HG GLN 7 -9.303 5.481 -10.478 47 1HE2 GLN 7 1HE2 GLN 7 -12.164 6.322 -12.576 48 2HE2 GLN 7 2HE2 GLN 7 -11.142 4.966 -11.881 49 H ALA 8 H ALA 8 -10.713 8.936 -9.130 50 HA ALA 8 HA ALA 8 -9.824 11.689 -9.330 51 1HB ALA 8 1HB ALA 8 -12.168 12.309 -8.766 52 2HB ALA 8 2HB ALA 8 -12.116 10.985 -9.946 53 3HB ALA 8 3HB ALA 8 -12.517 10.643 -8.243 54 H GLU 9 H GLU 9 -10.383 9.591 -6.564 55 HA GLU 9 HA GLU 9 -10.444 11.655 -4.452 56 1HB GLU 9 1HB GLU 9 -9.660 8.735 -3.929 57 2HB GLU 9 2HB GLU 9 -10.379 9.894 -2.821 58 1HG GLU 9 1HG GLU 9 -12.389 9.843 -4.727 59 2HG GLU 9 2HG GLU 9 -11.746 8.218 -4.932 60 H ALA 10 H ALA 10 -7.951 9.181 -5.170 61 HA ALA 10 HA ALA 10 -5.903 10.225 -3.383 62 1HB ALA 10 1HB ALA 10 -4.335 8.714 -4.591 63 2HB ALA 10 2HB ALA 10 -5.865 7.895 -4.222 64 3HB ALA 10 3HB ALA 10 -5.532 8.453 -5.882 65 NH1 ARG 11 NH1 ARG 11 -9.554 14.730 -11.853 66 NH2 ARG 11 NH2 ARG 11 -8.025 15.386 -13.399 67 H ARG 11 H ARG 11 -6.751 10.952 -6.716 68 HA ARG 11 HA ARG 11 -4.239 12.398 -7.478 69 1HB ARG 11 1HB ARG 11 -5.336 11.467 -9.355 70 2HB ARG 11 2HB ARG 11 -6.936 11.918 -8.786 71 1HG ARG 11 1HG ARG 11 -5.293 14.335 -9.265 72 2HG ARG 11 2HG ARG 11 -5.377 13.320 -10.707 73 1HD ARG 11 1HD ARG 11 -7.982 13.207 -10.257 74 2HD ARG 11 2HD ARG 11 -7.733 14.565 -9.158 75 HE ARG 11 HE ARG 11 -6.574 15.662 -11.365 76 1HH1 ARG 11 1HH1 ARG 11 -7.044 15.594 -13.614 77 2HH1 ARG 11 2HH1 ARG 11 -8.821 15.441 -14.045 78 1HH2 ARG 11 1HH2 ARG 11 -9.731 14.382 -10.904 79 2HH2 ARG 11 2HH2 ARG 11 -10.249 14.877 -12.594 80 H ALA 12 H ALA 12 -7.517 13.234 -6.407 81 HA ALA 12 HA ALA 12 -7.338 16.153 -6.798 82 1HB ALA 12 1HB ALA 12 -9.417 16.280 -5.440 83 2HB ALA 12 2HB ALA 12 -9.528 15.007 -6.672 84 3HB ALA 12 3HB ALA 12 -9.250 14.572 -4.967 85 H PHE 13 H PHE 13 -6.528 13.944 -4.175 86 HA PHE 13 HA PHE 13 -6.137 15.994 -2.057 87 1HB PHE 13 1HB PHE 13 -5.442 13.020 -2.252 88 2HB PHE 13 2HB PHE 13 -6.760 13.756 -1.377 89 HD1 PHE 13 HD1 PHE 13 -6.233 15.056 0.790 90 HD2 PHE 13 HD2 PHE 13 -3.165 12.908 -1.333 91 HE1 PHE 13 HE1 PHE 13 -4.803 15.094 2.793 92 HE2 PHE 13 HE2 PHE 13 -1.753 12.955 0.680 93 HZ PHE 13 HZ PHE 13 -2.566 14.044 2.744 94 H LEU 14 H LEU 14 -4.031 14.032 -4.166 95 HA LEU 14 HA LEU 14 -1.474 15.270 -3.227 96 1HB LEU 14 1HB LEU 14 -0.349 13.865 -4.871 97 2HB LEU 14 2HB LEU 14 -1.832 13.555 -5.746 98 HG LEU 14 HG LEU 14 -2.632 12.435 -3.423 99 1HD1 LEU 14 1HD1 LEU 14 -1.849 10.227 -4.287 100 2HD1 LEU 14 2HD1 LEU 14 -2.454 11.240 -5.611 101 3HD1 LEU 14 3HD1 LEU 14 -0.699 11.033 -5.384 102 1HD2 LEU 14 1HD2 LEU 14 0.444 12.166 -3.223 103 2HD2 LEU 14 2HD2 LEU 14 -0.611 13.018 -2.070 104 3HD2 LEU 14 3HD2 LEU 14 -0.743 11.263 -2.248 105 H SER 15 H SER 15 0.005 16.299 -4.772 106 HA SER 15 HA SER 15 -1.444 18.300 -6.585 107 1HB SER 15 1HB SER 15 -0.470 19.690 -5.053 108 2HB SER 15 2HB SER 15 0.820 18.560 -4.635 109 HG SER 15 HG SER 15 1.093 20.614 -6.058 110 H GLU 16 H GLU 16 0.113 19.178 -8.316 111 HA GLU 16 HA GLU 16 0.753 16.998 -10.199 112 1HB GLU 16 1HB GLU 16 -0.042 18.956 -11.220 113 2HB GLU 16 2HB GLU 16 1.003 20.023 -10.302 114 1HG GLU 16 1HG GLU 16 2.941 19.496 -11.669 115 2HG GLU 16 2HG GLU 16 2.202 18.044 -12.324 116 H GLU 17 H GLU 17 2.581 19.052 -8.011 117 HA GLU 17 HA GLU 17 5.293 18.333 -9.049 118 1HB GLU 17 1HB GLU 17 6.048 19.415 -6.769 119 2HB GLU 17 2HB GLU 17 4.375 19.913 -6.609 120 1HG GLU 17 1HG GLU 17 6.486 20.853 -8.590 121 2HG GLU 17 2HG GLU 17 5.384 21.800 -7.606 122 H MET 18 H MET 18 3.111 17.286 -6.485 123 HA MET 18 HA MET 18 4.936 15.457 -5.039 124 1HB MET 18 1HB MET 18 2.580 16.427 -4.278 125 2HB MET 18 2HB MET 18 1.916 15.043 -5.126 126 1HG MET 18 1HG MET 18 2.606 13.519 -3.514 127 2HG MET 18 2HG MET 18 4.137 14.354 -3.205 128 1HE MET 18 1HE MET 18 3.832 17.182 -2.307 129 2HE MET 18 2HE MET 18 3.369 17.054 -0.584 130 3HE MET 18 3HE MET 18 4.594 15.941 -1.262 131 H ILE 19 H ILE 19 2.787 15.216 -7.826 132 HA ILE 19 HA ILE 19 2.709 12.279 -8.072 133 HB ILE 19 HB ILE 19 1.759 14.576 -9.699 134 1HG1 ILE 19 1HG1 ILE 19 0.666 11.766 -9.046 135 2HG1 ILE 19 2HG1 ILE 19 -0.160 12.863 -10.132 136 1HG2 ILE 19 1HG2 ILE 19 1.502 13.321 -11.854 137 2HG2 ILE 19 2HG2 ILE 19 3.210 13.524 -11.469 138 3HG2 ILE 19 3HG2 ILE 19 2.429 11.951 -11.193 139 1HD1 ILE 19 1HD1 ILE 19 -0.516 14.551 -8.351 140 2HD1 ILE 19 2HD1 ILE 19 -1.118 12.962 -7.837 141 3HD1 ILE 19 3HD1 ILE 19 0.428 13.568 -7.198 142 H ALA 20 H ALA 20 4.827 14.857 -9.233 143 HA ALA 20 HA ALA 20 6.448 13.493 -11.176 144 1HB ALA 20 1HB ALA 20 8.193 15.208 -10.703 145 2HB ALA 20 2HB ALA 20 6.578 15.936 -10.810 146 3HB ALA 20 3HB ALA 20 7.346 15.703 -9.219 147 H GLU 21 H GLU 21 6.624 13.500 -7.641 148 HA GLU 21 HA GLU 21 9.254 12.274 -7.254 149 1HB GLU 21 1HB GLU 21 7.495 13.414 -5.552 150 2HB GLU 21 2HB GLU 21 7.045 11.747 -5.250 151 1HG GLU 21 1HG GLU 21 8.785 12.706 -3.649 152 2HG GLU 21 2HG GLU 21 9.242 11.183 -4.392 153 H PHE 22 H PHE 22 5.978 10.978 -7.651 154 HA PHE 22 HA PHE 22 6.725 8.104 -7.276 155 1HB PHE 22 1HB PHE 22 4.101 9.195 -8.457 156 2HB PHE 22 2HB PHE 22 4.396 7.590 -7.845 157 HD1 PHE 22 HD1 PHE 22 3.239 10.876 -6.926 158 HD2 PHE 22 HD2 PHE 22 5.086 7.346 -5.294 159 HE1 PHE 22 HE1 PHE 22 2.660 11.611 -4.652 160 HE2 PHE 22 HE2 PHE 22 4.491 8.097 -3.027 161 HZ PHE 22 HZ PHE 22 3.314 10.245 -2.699 162 H LYS 23 H LYS 23 6.583 10.398 -9.894 163 HA LYS 23 HA LYS 23 6.091 8.760 -12.227 164 1HB LYS 23 1HB LYS 23 7.430 11.414 -11.756 165 2HB LYS 23 2HB LYS 23 7.964 10.579 -13.197 166 1HG LYS 23 1HG LYS 23 5.039 11.306 -12.558 167 2HG LYS 23 2HG LYS 23 5.560 10.406 -13.973 168 1HD LYS 23 1HD LYS 23 6.766 13.168 -13.415 169 2HD LYS 23 2HD LYS 23 5.171 13.032 -14.165 170 1HE LYS 23 1HE LYS 23 7.488 11.416 -15.355 171 2HE LYS 23 2HE LYS 23 7.390 13.149 -15.696 172 1HZ LYS 23 1HZ LYS 23 5.632 10.998 -16.578 173 2HZ LYS 23 2HZ LYS 23 6.065 12.393 -17.350 174 3HZ LYS 23 3HZ LYS 23 4.873 12.417 -16.206 175 H ALA 24 H ALA 24 9.130 9.491 -10.517 176 HA ALA 24 HA ALA 24 10.981 8.169 -12.358 177 1HB ALA 24 1HB ALA 24 12.636 8.320 -10.509 178 2HB ALA 24 2HB ALA 24 11.751 9.845 -10.706 179 3HB ALA 24 3HB ALA 24 11.353 8.754 -9.354 180 H ALA 25 H ALA 25 9.698 7.105 -9.186 181 HA ALA 25 HA ALA 25 10.907 4.415 -9.241 182 1HB ALA 25 1HB ALA 25 9.544 3.993 -7.202 183 2HB ALA 25 2HB ALA 25 10.358 5.566 -7.112 184 3HB ALA 25 3HB ALA 25 8.615 5.488 -7.471 185 H PHE 26 H PHE 26 8.102 5.742 -10.732 186 HA PHE 26 HA PHE 26 6.302 3.377 -10.653 187 1HB PHE 26 1HB PHE 26 5.185 5.460 -10.936 188 2HB PHE 26 2HB PHE 26 6.242 6.006 -12.210 189 HD1 PHE 26 HD1 PHE 26 5.246 6.018 -14.375 190 HD2 PHE 26 HD2 PHE 26 3.947 3.026 -11.571 191 HE1 PHE 26 HE1 PHE 26 3.591 5.198 -16.002 192 HE2 PHE 26 HE2 PHE 26 2.283 2.233 -13.202 193 HZ PHE 26 HZ PHE 26 2.090 3.324 -15.410 194 H ASP 27 H ASP 27 8.586 4.789 -12.984 195 HA ASP 27 HA ASP 27 8.266 2.763 -15.123 196 1HB ASP 27 1HB ASP 27 9.361 5.162 -15.291 197 2HB ASP 27 2HB ASP 27 10.824 4.382 -14.734 198 H MET 28 H MET 28 10.337 3.155 -12.285 199 HA MET 28 HA MET 28 12.178 0.921 -12.648 200 1HB MET 28 1HB MET 28 12.193 2.780 -10.769 201 2HB MET 28 2HB MET 28 11.146 1.688 -9.880 202 1HG MET 28 1HG MET 28 13.019 0.671 -9.075 203 2HG MET 28 2HG MET 28 13.289 -0.003 -10.691 204 1HE MET 28 1HE MET 28 14.712 2.123 -7.905 205 2HE MET 28 2HE MET 28 15.535 3.503 -8.691 206 3HE MET 28 3HE MET 28 13.748 3.446 -8.634 207 H PHE 29 H PHE 29 8.885 1.142 -11.390 208 HA PHE 29 HA PHE 29 8.674 -1.575 -10.268 209 1HB PHE 29 1HB PHE 29 6.230 -0.039 -11.281 210 2HB PHE 29 2HB PHE 29 7.116 0.559 -9.904 211 HD1 PHE 29 HD1 PHE 29 7.237 -3.088 -10.129 212 HD2 PHE 29 HD2 PHE 29 4.807 0.185 -8.744 213 HE1 PHE 29 HE1 PHE 29 6.025 -4.609 -8.622 214 HE2 PHE 29 HE2 PHE 29 3.604 -1.356 -7.251 215 HZ PHE 29 HZ PHE 29 4.223 -3.745 -7.169 216 H ASP 30 H ASP 30 7.764 -0.100 -13.381 217 HA ASP 30 HA ASP 30 6.607 -2.583 -14.532 218 1HB ASP 30 1HB ASP 30 7.286 0.098 -15.862 219 2HB ASP 30 2HB ASP 30 5.729 -0.416 -15.255 220 H ALA 31 H ALA 31 8.871 -0.845 -16.527 221 HA ALA 31 HA ALA 31 11.351 -2.196 -16.312 222 1HB ALA 31 1HB ALA 31 11.228 -4.184 -17.819 223 2HB ALA 31 2HB ALA 31 10.185 -4.368 -16.396 224 3HB ALA 31 3HB ALA 31 9.466 -3.986 -17.982 225 H ASP 32 H ASP 32 8.846 -1.760 -18.823 226 HA ASP 32 HA ASP 32 10.874 -0.619 -20.782 227 1HB ASP 32 1HB ASP 32 9.719 -2.159 -22.038 228 2HB ASP 32 2HB ASP 32 8.777 -0.727 -22.387 229 H GLY 33 H GLY 33 7.961 0.175 -18.958 230 1HA GLY 33 1HA GLY 33 7.049 2.339 -18.304 231 2HA GLY 33 2HA GLY 33 8.471 3.069 -19.015 232 H GLY 34 H GLY 34 5.674 1.158 -20.199 233 1HA GLY 34 1HA GLY 34 4.614 1.278 -22.434 234 2HA GLY 34 2HA GLY 34 5.558 2.734 -22.774 235 H GLY 35 H GLY 35 3.367 1.898 -20.084 236 1HA GLY 35 1HA GLY 35 1.132 3.658 -20.800 237 2HA GLY 35 2HA GLY 35 2.218 4.575 -19.747 238 H ASP 36 H ASP 36 1.491 1.098 -19.700 239 HA ASP 36 HA ASP 36 0.574 1.334 -16.785 240 1HB ASP 36 1HB ASP 36 -1.506 0.851 -17.583 241 2HB ASP 36 2HB ASP 36 -0.912 -0.789 -17.456 242 H ILE 37 H ILE 37 0.767 -0.726 -15.619 243 HA ILE 37 HA ILE 37 3.370 -2.152 -16.312 244 HB ILE 37 HB ILE 37 2.159 -2.814 -13.688 245 1HG1 ILE 37 1HG1 ILE 37 2.371 0.039 -14.306 246 2HG1 ILE 37 2HG1 ILE 37 1.787 -0.751 -12.854 247 1HG2 ILE 37 1HG2 ILE 37 4.505 -2.778 -12.932 248 2HG2 ILE 37 2HG2 ILE 37 4.381 -3.671 -14.455 249 3HG2 ILE 37 3HG2 ILE 37 5.032 -2.015 -14.452 250 1HD1 ILE 37 1HD1 ILE 37 4.731 -0.018 -13.371 251 2HD1 ILE 37 2HD1 ILE 37 3.605 0.751 -12.232 252 3HD1 ILE 37 3HD1 ILE 37 4.145 -0.920 -11.948 253 H SER 38 H SER 38 2.869 -4.465 -14.749 254 HA SER 38 HA SER 38 0.486 -5.928 -15.740 255 1HB SER 38 1HB SER 38 2.522 -5.655 -17.682 256 2HB SER 38 2HB SER 38 2.749 -7.291 -17.057 257 HG SER 38 HG SER 38 1.156 -6.856 -18.803 258 H THR 39 H THR 39 1.271 -8.467 -15.662 259 HA THR 39 HA THR 39 2.072 -8.911 -12.792 260 HB THR 39 HB THR 39 1.691 -11.462 -13.891 261 HG1 THR 39 HG1 THR 39 0.564 -11.209 -15.561 262 1HG2 THR 39 1HG2 THR 39 -0.440 -11.522 -12.673 263 2HG2 THR 39 2HG2 THR 39 0.755 -10.649 -11.685 264 3HG2 THR 39 3HG2 THR 39 -0.503 -9.747 -12.571 265 H LYS 40 H LYS 40 3.239 -9.606 -16.067 266 HA LYS 40 HA LYS 40 5.586 -11.234 -15.248 267 1HB LYS 40 1HB LYS 40 4.552 -11.565 -17.428 268 2HB LYS 40 2HB LYS 40 4.852 -9.924 -17.939 269 1HG LYS 40 1HG LYS 40 6.483 -12.332 -18.144 270 2HG LYS 40 2HG LYS 40 7.381 -11.222 -17.142 271 1HD LYS 40 1HD LYS 40 6.533 -9.704 -19.490 272 2HD LYS 40 2HD LYS 40 8.120 -10.089 -18.892 273 1HE LYS 40 1HE LYS 40 8.569 -11.475 -20.571 274 2HE LYS 40 2HE LYS 40 7.206 -12.515 -20.182 275 1HZ LYS 40 1HZ LYS 40 7.374 -10.316 -22.134 276 2HZ LYS 40 2HZ LYS 40 5.895 -10.639 -21.473 277 3HZ LYS 40 3HZ LYS 40 6.704 -11.817 -22.302 278 H GLU 41 H GLU 41 4.882 -7.852 -16.003 279 HA GLU 41 HA GLU 41 7.705 -6.904 -16.033 280 1HB GLU 41 1HB GLU 41 6.865 -4.679 -16.342 281 2HB GLU 41 2HB GLU 41 5.269 -5.100 -15.761 282 1HG GLU 41 1HG GLU 41 6.525 -5.959 -18.437 283 2HG GLU 41 2HG GLU 41 5.040 -6.655 -17.826 284 H LEU 42 H LEU 42 4.980 -6.774 -13.749 285 HA LEU 42 HA LEU 42 6.254 -5.180 -11.619 286 1HB LEU 42 1HB LEU 42 3.863 -7.068 -11.719 287 2HB LEU 42 2HB LEU 42 3.888 -5.335 -11.474 288 HG LEU 42 HG LEU 42 5.103 -5.894 -9.168 289 1HD1 LEU 42 1HD1 LEU 42 2.868 -6.069 -8.042 290 2HD1 LEU 42 2HD1 LEU 42 2.848 -4.853 -9.328 291 3HD1 LEU 42 3HD1 LEU 42 2.094 -6.443 -9.603 292 1HD2 LEU 42 1HD2 LEU 42 3.710 -8.604 -9.710 293 2HD2 LEU 42 2HD2 LEU 42 5.465 -8.343 -9.563 294 3HD2 LEU 42 3HD2 LEU 42 4.415 -8.080 -8.159 295 H GLY 43 H GLY 43 6.097 -8.624 -12.410 296 1HA GLY 43 1HA GLY 43 7.149 -9.849 -10.003 297 2HA GLY 43 2HA GLY 43 7.304 -10.546 -11.618 298 H THR 44 H THR 44 8.746 -8.026 -12.525 299 HA THR 44 HA THR 44 11.450 -9.123 -12.299 300 HB THR 44 HB THR 44 10.419 -6.515 -13.487 301 HG1 THR 44 HG1 THR 44 11.243 -7.611 -15.353 302 1HG2 THR 44 1HG2 THR 44 12.673 -6.134 -14.503 303 2HG2 THR 44 2HG2 THR 44 12.727 -5.960 -12.736 304 3HG2 THR 44 3HG2 THR 44 13.359 -7.439 -13.504 305 H VAL 45 H VAL 45 10.048 -6.078 -11.047 306 HA VAL 45 HA VAL 45 12.440 -5.208 -9.579 307 HB VAL 45 HB VAL 45 9.766 -4.140 -10.045 308 1HG1 VAL 45 1HG1 VAL 45 9.468 -2.810 -7.953 309 2HG1 VAL 45 2HG1 VAL 45 9.335 -4.539 -7.607 310 3HG1 VAL 45 3HG1 VAL 45 10.826 -3.670 -7.181 311 1HG2 VAL 45 1HG2 VAL 45 12.368 -2.737 -9.140 312 2HG2 VAL 45 2HG2 VAL 45 11.854 -2.991 -10.824 313 3HG2 VAL 45 3HG2 VAL 45 10.908 -1.930 -9.771 314 H MET 46 H MET 46 9.504 -7.002 -8.697 315 HA MET 46 HA MET 46 9.953 -7.074 -5.780 316 1HB MET 46 1HB MET 46 7.686 -7.401 -6.607 317 2HB MET 46 2HB MET 46 8.193 -8.812 -5.696 318 1HG MET 46 1HG MET 46 7.648 -8.580 -8.681 319 2HG MET 46 2HG MET 46 8.836 -9.782 -8.149 320 1HE MET 46 1HE MET 46 7.927 -10.770 -5.289 321 2HE MET 46 2HE MET 46 6.792 -12.093 -5.690 322 3HE MET 46 3HE MET 46 8.315 -11.917 -6.609 323 NH1 ARG 47 NH1 ARG 47 16.705 -11.337 -12.039 324 NH2 ARG 47 NH2 ARG 47 17.963 -12.271 -10.393 325 H ARG 47 H ARG 47 10.960 -9.059 -8.498 326 HA ARG 47 HA ARG 47 11.864 -11.417 -6.903 327 1HB ARG 47 1HB ARG 47 11.943 -10.651 -9.843 328 2HB ARG 47 2HB ARG 47 11.184 -12.024 -9.048 329 1HG ARG 47 1HG ARG 47 13.794 -12.642 -8.465 330 2HG ARG 47 2HG ARG 47 12.933 -13.216 -9.893 331 1HD ARG 47 1HD ARG 47 14.097 -11.793 -11.375 332 2HD ARG 47 2HD ARG 47 14.256 -10.511 -10.184 333 HE ARG 47 HE ARG 47 15.957 -12.443 -9.089 334 1HH1 ARG 47 1HH1 ARG 47 15.776 -11.031 -12.350 335 2HH1 ARG 47 2HH1 ARG 47 17.581 -11.278 -12.569 336 1HH2 ARG 47 1HH2 ARG 47 17.997 -12.677 -9.451 337 2HH2 ARG 47 2HH2 ARG 47 18.751 -12.147 -11.038 338 H MET 48 H MET 48 13.292 -8.493 -8.226 339 HA MET 48 HA MET 48 16.086 -9.085 -8.373 340 1HB MET 48 1HB MET 48 16.179 -6.490 -7.344 341 2HB MET 48 2HB MET 48 14.544 -6.556 -7.976 342 1HG MET 48 1HG MET 48 16.403 -7.687 -9.975 343 2HG MET 48 2HG MET 48 15.263 -6.339 -10.130 344 1HE MET 48 1HE MET 48 16.316 -4.470 -7.563 345 2HE MET 48 2HE MET 48 17.389 -3.352 -8.454 346 3HE MET 48 3HE MET 48 15.797 -3.794 -9.138 347 H LEU 49 H LEU 49 14.071 -8.459 -5.551 348 HA LEU 49 HA LEU 49 16.447 -8.530 -3.648 349 1HB LEU 49 1HB LEU 49 15.047 -6.728 -3.070 350 2HB LEU 49 2HB LEU 49 14.676 -7.960 -1.883 351 HG LEU 49 HG LEU 49 12.735 -8.424 -3.906 352 1HD1 LEU 49 1HD1 LEU 49 12.939 -5.379 -3.467 353 2HD1 LEU 49 2HD1 LEU 49 13.419 -6.207 -4.960 354 3HD1 LEU 49 3HD1 LEU 49 11.718 -6.242 -4.436 355 1HD2 LEU 49 1HD2 LEU 49 11.094 -7.667 -2.237 356 2HD2 LEU 49 2HD2 LEU 49 12.420 -8.458 -1.350 357 3HD2 LEU 49 3HD2 LEU 49 12.319 -6.692 -1.385 358 H GLY 50 H GLY 50 13.402 -10.219 -4.377 359 1HA GLY 50 1HA GLY 50 13.871 -12.311 -2.219 360 2HA GLY 50 2HA GLY 50 12.398 -12.136 -3.179 361 H GLN 51 H GLN 51 12.073 -13.382 -4.867 362 HA GLN 51 HA GLN 51 14.324 -15.008 -6.156 363 1HB GLN 51 1HB GLN 51 12.318 -16.061 -4.241 364 2HB GLN 51 2HB GLN 51 12.246 -16.886 -5.787 365 1HG GLN 51 1HG GLN 51 14.983 -16.915 -5.401 366 2HG GLN 51 2HG GLN 51 14.464 -16.869 -3.731 367 1HE2 GLN 51 1HE2 GLN 51 12.958 -20.218 -3.888 368 2HE2 GLN 51 2HE2 GLN 51 12.648 -18.546 -3.199 369 H ASN 52 H ASN 52 12.692 -16.678 -7.622 370 HA ASN 52 HA ASN 52 11.166 -14.731 -9.412 371 1HB ASN 52 1HB ASN 52 13.434 -15.782 -10.241 372 2HB ASN 52 2HB ASN 52 12.549 -17.276 -10.460 373 1HD2 ASN 52 1HD2 ASN 52 12.149 -15.839 -13.790 374 2HD2 ASN 52 2HD2 ASN 52 13.082 -17.019 -12.739 375 HA PRO 53 HA PRO 53 7.890 -17.867 -7.762 376 1HB PRO 53 1HB PRO 53 6.122 -15.595 -8.712 377 2HB PRO 53 2HB PRO 53 6.121 -16.528 -7.209 378 1HG PRO 53 1HG PRO 53 7.092 -13.957 -7.323 379 2HG PRO 53 2HG PRO 53 7.671 -15.132 -6.119 380 1HD PRO 53 1HD PRO 53 9.792 -14.777 -7.179 381 2HD PRO 53 2HD PRO 53 9.053 -14.138 -8.674 382 H THR 54 H THR 54 5.860 -18.544 -9.041 383 HA THR 54 HA THR 54 6.680 -19.176 -11.890 384 HB THR 54 HB THR 54 5.909 -21.008 -10.294 385 HG1 THR 54 HG1 THR 54 5.196 -22.094 -11.951 386 1HG2 THR 54 1HG2 THR 54 3.491 -21.488 -10.094 387 2HG2 THR 54 2HG2 THR 54 3.862 -19.937 -9.307 388 3HG2 THR 54 3HG2 THR 54 3.075 -19.960 -10.906 389 H LYS 55 H LYS 55 4.995 -19.068 -13.564 390 HA LYS 55 HA LYS 55 4.130 -16.343 -13.971 391 1HB LYS 55 1HB LYS 55 3.794 -18.937 -15.448 392 2HB LYS 55 2HB LYS 55 2.512 -17.785 -15.757 393 1HG LYS 55 1HG LYS 55 3.917 -17.167 -17.440 394 2HG LYS 55 2HG LYS 55 4.528 -16.070 -16.215 395 1HD LYS 55 1HD LYS 55 6.013 -18.042 -17.713 396 2HD LYS 55 2HD LYS 55 6.608 -16.954 -16.468 397 1HE LYS 55 1HE LYS 55 5.690 -18.786 -14.758 398 2HE LYS 55 2HE LYS 55 5.738 -19.871 -16.145 399 1HZ LYS 55 1HZ LYS 55 7.949 -18.623 -14.686 400 2HZ LYS 55 2HZ LYS 55 8.178 -18.811 -16.311 401 3HZ LYS 55 3HZ LYS 55 7.852 -20.126 -15.366 402 H GLU 56 H GLU 56 2.280 -19.258 -13.086 403 HA GLU 56 HA GLU 56 -0.360 -17.971 -12.959 404 1HB GLU 56 1HB GLU 56 0.682 -20.655 -11.950 405 2HB GLU 56 2HB GLU 56 -0.948 -20.129 -11.576 406 1HG GLU 56 1HG GLU 56 -1.543 -21.149 -13.535 407 2HG GLU 56 2HG GLU 56 0.124 -21.289 -14.064 408 H GLU 57 H GLU 57 2.171 -18.701 -10.590 409 HA GLU 57 HA GLU 57 0.716 -18.149 -8.118 410 1HB GLU 57 1HB GLU 57 3.073 -17.658 -7.145 411 2HB GLU 57 2HB GLU 57 3.698 -18.075 -8.726 412 1HG GLU 57 1HG GLU 57 1.865 -20.210 -7.792 413 2HG GLU 57 2HG GLU 57 3.539 -20.332 -8.320 414 H LEU 58 H LEU 58 2.425 -16.092 -10.416 415 HA LEU 58 HA LEU 58 2.418 -13.606 -8.792 416 1HB LEU 58 1HB LEU 58 3.462 -14.492 -11.377 417 2HB LEU 58 2HB LEU 58 2.607 -12.979 -11.598 418 HG LEU 58 HG LEU 58 4.509 -13.072 -9.242 419 1HD1 LEU 58 1HD1 LEU 58 6.533 -12.643 -10.689 420 2HD1 LEU 58 2HD1 LEU 58 5.911 -14.283 -10.925 421 3HD1 LEU 58 3HD1 LEU 58 5.584 -13.029 -12.147 422 1HD2 LEU 58 1HD2 LEU 58 3.997 -10.967 -11.444 423 2HD2 LEU 58 2HD2 LEU 58 3.259 -10.988 -9.823 424 3HD2 LEU 58 3HD2 LEU 58 5.007 -10.743 -9.993 425 H ASP 59 H ASP 59 0.334 -15.160 -11.168 426 HA ASP 59 HA ASP 59 -1.455 -12.929 -11.786 427 1HB ASP 59 1HB ASP 59 -2.113 -15.924 -11.985 428 2HB ASP 59 2HB ASP 59 -1.250 -15.007 -13.198 429 H ALA 60 H ALA 60 -1.367 -15.327 -9.218 430 HA ALA 60 HA ALA 60 -4.039 -14.836 -8.067 431 1HB ALA 60 1HB ALA 60 -3.201 -16.123 -6.107 432 2HB ALA 60 2HB ALA 60 -2.812 -16.940 -7.633 433 3HB ALA 60 3HB ALA 60 -1.539 -16.068 -6.741 434 H ILE 61 H ILE 61 -0.837 -13.436 -7.634 435 HA ILE 61 HA ILE 61 -1.357 -11.952 -5.129 436 HB ILE 61 HB ILE 61 0.903 -12.133 -7.070 437 1HG1 ILE 61 1HG1 ILE 61 0.390 -12.800 -4.294 438 2HG1 ILE 61 2HG1 ILE 61 1.788 -13.192 -5.273 439 1HG2 ILE 61 1HG2 ILE 61 2.075 -10.062 -6.267 440 2HG2 ILE 61 2HG2 ILE 61 0.594 -9.643 -7.125 441 3HG2 ILE 61 3HG2 ILE 61 0.628 -9.578 -5.348 442 1HD1 ILE 61 1HD1 ILE 61 1.534 -10.643 -3.569 443 2HD1 ILE 61 2HD1 ILE 61 2.562 -12.059 -3.263 444 3HD1 ILE 61 3HD1 ILE 61 2.900 -11.009 -4.660 445 H ILE 62 H ILE 62 -1.595 -11.281 -8.589 446 HA ILE 62 HA ILE 62 -2.237 -8.380 -8.291 447 HB ILE 62 HB ILE 62 -2.175 -10.254 -10.695 448 1HG1 ILE 62 1HG1 ILE 62 -0.316 -8.216 -9.498 449 2HG1 ILE 62 2HG1 ILE 62 0.041 -9.648 -10.439 450 1HG2 ILE 62 1HG2 ILE 62 -2.725 -8.321 -12.201 451 2HG2 ILE 62 2HG2 ILE 62 -4.080 -8.665 -11.128 452 3HG2 ILE 62 3HG2 ILE 62 -3.020 -7.278 -10.788 453 1HD1 ILE 62 1HD1 ILE 62 -0.820 -6.955 -11.651 454 2HD1 ILE 62 2HD1 ILE 62 0.787 -7.709 -11.703 455 3HD1 ILE 62 3HD1 ILE 62 -0.566 -8.456 -12.583 456 H GLU 63 H GLU 63 -3.965 -11.429 -8.592 457 HA GLU 63 HA GLU 63 -6.633 -10.639 -9.224 458 1HB GLU 63 1HB GLU 63 -6.303 -12.948 -9.102 459 2HB GLU 63 2HB GLU 63 -5.540 -12.899 -7.524 460 1HG GLU 63 1HG GLU 63 -7.751 -13.944 -7.321 461 2HG GLU 63 2HG GLU 63 -7.768 -12.425 -6.441 462 H GLU 64 H GLU 64 -4.825 -10.235 -6.235 463 HA GLU 64 HA GLU 64 -7.120 -9.557 -4.490 464 1HB GLU 64 1HB GLU 64 -4.117 -9.594 -4.164 465 2HB GLU 64 2HB GLU 64 -5.030 -8.607 -3.038 466 1HG GLU 64 1HG GLU 64 -6.339 -11.227 -3.224 467 2HG GLU 64 2HG GLU 64 -4.615 -11.486 -3.021 468 H VAL 65 H VAL 65 -4.343 -7.413 -4.701 469 HA VAL 65 HA VAL 65 -5.666 -4.974 -4.143 470 HB VAL 65 HB VAL 65 -3.450 -4.610 -3.944 471 1HG1 VAL 65 1HG1 VAL 65 -3.618 -3.632 -6.868 472 2HG1 VAL 65 2HG1 VAL 65 -4.359 -2.780 -5.501 473 3HG1 VAL 65 3HG1 VAL 65 -2.592 -2.985 -5.564 474 1HG2 VAL 65 1HG2 VAL 65 -1.595 -5.495 -5.273 475 2HG2 VAL 65 2HG2 VAL 65 -2.757 -6.829 -5.080 476 3HG2 VAL 65 3HG2 VAL 65 -2.672 -5.953 -6.614 477 H ASP 66 H ASP 66 -5.380 -6.660 -7.219 478 HA ASP 66 HA ASP 66 -6.669 -4.450 -8.808 479 1HB ASP 66 1HB ASP 66 -6.273 -7.217 -9.993 480 2HB ASP 66 2HB ASP 66 -4.850 -6.280 -9.602 481 H GLU 67 H GLU 67 -8.515 -4.431 -7.366 482 HA GLU 67 HA GLU 67 -10.507 -6.690 -7.464 483 1HB GLU 67 1HB GLU 67 -9.974 -5.222 -5.397 484 2HB GLU 67 2HB GLU 67 -10.911 -3.950 -6.157 485 1HG GLU 67 1HG GLU 67 -12.649 -4.864 -4.950 486 2HG GLU 67 2HG GLU 67 -12.775 -5.972 -6.306 487 H ASP 68 H ASP 68 -9.721 -5.141 -9.926 488 HA ASP 68 HA ASP 68 -12.384 -3.835 -10.683 489 1HB ASP 68 1HB ASP 68 -11.335 -2.173 -11.782 490 2HB ASP 68 2HB ASP 68 -10.265 -3.269 -12.625 491 H GLY 69 H GLY 69 -9.670 -5.692 -12.120 492 1HA GLY 69 1HA GLY 69 -10.600 -8.034 -13.127 493 2HA GLY 69 2HA GLY 69 -11.598 -6.967 -14.123 494 H SER 70 H SER 70 -9.522 -4.892 -14.290 495 HA SER 70 HA SER 70 -8.451 -5.339 -16.867 496 1HB SER 70 1HB SER 70 -8.393 -3.116 -16.031 497 2HB SER 70 2HB SER 70 -6.703 -3.559 -16.290 498 HG SER 70 HG SER 70 -8.145 -3.246 -13.915 499 H GLY 71 H GLY 71 -6.581 -5.664 -13.818 500 1HA GLY 71 1HA GLY 71 -4.979 -7.990 -15.013 501 2HA GLY 71 2HA GLY 71 -5.189 -7.692 -13.282 502 H THR 72 H THR 72 -4.472 -5.160 -15.610 503 HA THR 72 HA THR 72 -1.561 -4.969 -14.774 504 HB THR 72 HB THR 72 -1.468 -3.048 -16.465 505 HG1 THR 72 HG1 THR 72 -3.606 -2.614 -16.667 506 1HG2 THR 72 1HG2 THR 72 -1.316 -4.470 -18.470 507 2HG2 THR 72 2HG2 THR 72 -0.587 -5.333 -17.098 508 3HG2 THR 72 3HG2 THR 72 -2.208 -5.792 -17.684 509 H ILE 73 H ILE 73 -0.732 -3.238 -13.677 510 HA ILE 73 HA ILE 73 -2.693 -1.526 -12.088 511 HB ILE 73 HB ILE 73 0.202 -2.330 -11.556 512 1HG1 ILE 73 1HG1 ILE 73 -2.183 -2.659 -9.647 513 2HG1 ILE 73 2HG1 ILE 73 -1.920 -3.819 -10.932 514 1HG2 ILE 73 1HG2 ILE 73 0.235 -0.885 -9.527 515 2HG2 ILE 73 2HG2 ILE 73 -0.037 0.116 -10.960 516 3HG2 ILE 73 3HG2 ILE 73 -1.397 -0.271 -9.879 517 1HD1 ILE 73 1HD1 ILE 73 0.102 -3.245 -8.688 518 2HD1 ILE 73 2HD1 ILE 73 -0.911 -4.690 -8.893 519 3HD1 ILE 73 3HD1 ILE 73 0.388 -4.349 -10.061 520 H ASP 74 H ASP 74 -3.193 0.027 -13.558 521 HA ASP 74 HA ASP 74 -1.323 1.481 -15.283 522 1HB ASP 74 1HB ASP 74 -3.092 2.837 -15.972 523 2HB ASP 74 2HB ASP 74 -3.855 2.879 -14.400 524 H PHE 75 H PHE 75 -1.421 4.060 -14.996 525 HA PHE 75 HA PHE 75 0.340 4.663 -12.677 526 1HB PHE 75 1HB PHE 75 -0.812 6.522 -14.845 527 2HB PHE 75 2HB PHE 75 0.727 5.706 -14.906 528 HD1 PHE 75 HD1 PHE 75 1.221 6.259 -11.724 529 HD2 PHE 75 HD2 PHE 75 0.269 8.749 -15.102 530 HE1 PHE 75 HE1 PHE 75 2.264 8.189 -10.609 531 HE2 PHE 75 HE2 PHE 75 1.325 10.666 -13.972 532 HZ PHE 75 HZ PHE 75 2.320 10.392 -11.729 533 H GLU 76 H GLU 76 -2.976 5.421 -13.679 534 HA GLU 76 HA GLU 76 -3.678 7.321 -11.570 535 1HB GLU 76 1HB GLU 76 -5.902 5.636 -12.657 536 2HB GLU 76 2HB GLU 76 -5.804 7.363 -12.385 537 1HG GLU 76 1HG GLU 76 -4.175 6.135 -14.667 538 2HG GLU 76 2HG GLU 76 -5.904 6.345 -14.850 539 H GLU 77 H GLU 77 -4.118 3.804 -11.879 540 HA GLU 77 HA GLU 77 -5.415 3.416 -9.232 541 1HB GLU 77 1HB GLU 77 -6.066 1.625 -10.410 542 2HB GLU 77 2HB GLU 77 -4.716 1.706 -11.519 543 1HG GLU 77 1HG GLU 77 -4.753 0.314 -8.771 544 2HG GLU 77 2HG GLU 77 -3.262 0.571 -9.669 545 H PHE 78 H PHE 78 -2.140 3.315 -10.494 546 HA PHE 78 HA PHE 78 -0.671 1.997 -8.435 547 1HB PHE 78 1HB PHE 78 0.348 2.845 -10.567 548 2HB PHE 78 2HB PHE 78 0.214 4.497 -10.019 549 HD1 PHE 78 HD1 PHE 78 1.116 1.969 -7.451 550 HD2 PHE 78 HD2 PHE 78 2.727 4.658 -10.399 551 HE1 PHE 78 HE1 PHE 78 3.342 1.790 -6.415 552 HE2 PHE 78 HE2 PHE 78 4.947 4.455 -9.358 553 HZ PHE 78 HZ PHE 78 5.261 3.020 -7.371 554 H LEU 79 H LEU 79 -1.540 5.456 -8.624 555 HA LEU 79 HA LEU 79 -0.452 6.201 -5.979 556 1HB LEU 79 1HB LEU 79 -2.083 8.282 -6.391 557 2HB LEU 79 2HB LEU 79 -2.256 7.612 -7.999 558 HG LEU 79 HG LEU 79 0.584 8.005 -6.994 559 1HD1 LEU 79 1HD1 LEU 79 -1.112 10.391 -7.963 560 2HD1 LEU 79 2HD1 LEU 79 -0.655 10.112 -6.272 561 3HD1 LEU 79 3HD1 LEU 79 0.606 10.420 -7.491 562 1HD2 LEU 79 1HD2 LEU 79 1.071 8.526 -9.347 563 2HD2 LEU 79 2HD2 LEU 79 0.041 7.074 -9.336 564 3HD2 LEU 79 3HD2 LEU 79 -0.661 8.646 -9.745 565 H VAL 80 H VAL 80 -3.531 4.996 -7.145 566 HA VAL 80 HA VAL 80 -5.242 5.656 -4.879 567 HB VAL 80 HB VAL 80 -5.492 3.339 -6.863 568 1HG1 VAL 80 1HG1 VAL 80 -7.881 3.140 -6.139 569 2HG1 VAL 80 2HG1 VAL 80 -6.787 2.760 -4.803 570 3HG1 VAL 80 3HG1 VAL 80 -7.608 4.337 -4.846 571 1HG2 VAL 80 1HG2 VAL 80 -7.005 6.032 -6.786 572 2HG2 VAL 80 2HG2 VAL 80 -5.728 5.606 -7.949 573 3HG2 VAL 80 3HG2 VAL 80 -7.256 4.713 -7.956 574 H MET 81 H MET 81 -2.906 3.090 -5.471 575 HA MET 81 HA MET 81 -3.522 1.286 -3.258 576 1HB MET 81 1HB MET 81 -2.066 0.407 -4.935 577 2HB MET 81 2HB MET 81 -0.972 1.776 -4.857 578 1HG MET 81 1HG MET 81 -0.119 1.050 -2.622 579 2HG MET 81 2HG MET 81 0.051 -0.242 -3.823 580 1HE MET 81 1HE MET 81 -0.887 -2.537 -3.677 581 2HE MET 81 2HE MET 81 -2.372 -3.003 -2.793 582 3HE MET 81 3HE MET 81 -2.481 -1.907 -4.201 583 H MET 82 H MET 82 -1.082 3.890 -3.509 584 HA MET 82 HA MET 82 -0.128 3.689 -0.734 585 1HB MET 82 1HB MET 82 0.268 5.709 -2.969 586 2HB MET 82 2HB MET 82 0.725 6.173 -1.341 587 1HG MET 82 1HG MET 82 1.754 3.466 -2.216 588 2HG MET 82 2HG MET 82 2.375 4.850 -3.124 589 1HE MET 82 1HE MET 82 1.455 4.404 0.947 590 2HE MET 82 2HE MET 82 3.109 3.851 1.344 591 3HE MET 82 3HE MET 82 2.121 2.931 0.173 592 H VAL 83 H VAL 83 -2.742 5.430 -2.287 593 HA VAL 83 HA VAL 83 -3.158 7.483 -0.169 594 HB VAL 83 HB VAL 83 -4.178 7.031 -2.844 595 1HG1 VAL 83 1HG1 VAL 83 -6.547 7.780 -2.582 596 2HG1 VAL 83 2HG1 VAL 83 -6.304 6.208 -1.809 597 3HG1 VAL 83 3HG1 VAL 83 -6.410 7.675 -0.808 598 1HG2 VAL 83 1HG2 VAL 83 -4.469 9.492 -0.996 599 2HG2 VAL 83 2HG2 VAL 83 -3.118 9.185 -2.111 600 3HG2 VAL 83 3HG2 VAL 83 -4.741 9.465 -2.757 601 NH1 ARG 84 NH1 ARG 84 -8.189 -1.456 -1.664 602 NH2 ARG 84 NH2 ARG 84 -10.265 -0.609 -2.024 603 H ARG 84 H ARG 84 -4.436 4.308 -1.021 604 HA ARG 84 HA ARG 84 -6.872 4.183 0.580 605 1HB ARG 84 1HB ARG 84 -5.114 2.213 -0.803 606 2HB ARG 84 2HB ARG 84 -5.827 1.571 0.668 607 1HG ARG 84 1HG ARG 84 -7.770 3.061 -1.075 608 2HG ARG 84 2HG ARG 84 -7.995 1.574 -0.151 609 1HD ARG 84 1HD ARG 84 -6.397 0.439 -1.930 610 2HD ARG 84 2HD ARG 84 -6.668 1.875 -2.919 611 HE ARG 84 HE ARG 84 -8.972 1.143 -3.291 612 1HH1 ARG 84 1HH1 ARG 84 -7.174 -1.318 -1.724 613 2HH1 ARG 84 2HH1 ARG 84 -8.676 -2.287 -1.311 614 1HH2 ARG 84 1HH2 ARG 84 -10.835 0.181 -2.346 615 2HH2 ARG 84 2HH2 ARG 84 -10.607 -1.502 -1.653 616 H GLN 85 H GLN 85 -3.539 3.114 1.343 617 HA GLN 85 HA GLN 85 -4.003 2.242 4.084 618 1HB GLN 85 1HB GLN 85 -1.915 1.897 2.486 619 2HB GLN 85 2HB GLN 85 -1.760 1.842 4.231 620 1HG GLN 85 1HG GLN 85 -0.481 3.659 2.301 621 2HG GLN 85 2HG GLN 85 -1.313 4.604 3.516 622 1HE2 GLN 85 1HE2 GLN 85 2.112 3.987 4.881 623 2HE2 GLN 85 2HE2 GLN 85 1.217 5.023 3.659 624 H MET 86 H MET 86 -3.280 5.381 2.655 625 HA MET 86 HA MET 86 -2.556 6.905 5.028 626 1HB MET 86 1HB MET 86 -3.158 7.542 2.230 627 2HB MET 86 2HB MET 86 -3.963 8.696 3.278 628 1HG MET 86 1HG MET 86 -1.340 8.524 4.391 629 2HG MET 86 2HG MET 86 -1.085 8.462 2.639 630 1HE MET 86 1HE MET 86 -4.014 10.013 1.846 631 2HE MET 86 2HE MET 86 -3.387 11.664 1.564 632 3HE MET 86 3HE MET 86 -2.507 10.253 0.906 633 H LYS 87 H LYS 87 -5.655 6.038 3.586 634 HA LYS 87 HA LYS 87 -7.480 7.809 4.973 635 1HB LYS 87 1HB LYS 87 -9.185 5.818 4.746 636 2HB LYS 87 2HB LYS 87 -7.892 4.962 3.920 637 1HG LYS 87 1HG LYS 87 -9.482 6.086 2.344 638 2HG LYS 87 2HG LYS 87 -7.810 6.556 2.087 639 1HD LYS 87 1HD LYS 87 -9.018 8.451 3.966 640 2HD LYS 87 2HD LYS 87 -8.308 8.737 2.382 641 1HE LYS 87 1HE LYS 87 -10.745 9.496 2.552 642 2HE LYS 87 2HE LYS 87 -10.452 8.365 1.224 643 1HZ LYS 87 1HZ LYS 87 -12.084 7.164 2.119 644 2HZ LYS 87 2HZ LYS 87 -12.111 8.030 3.525 645 3HZ LYS 87 3HZ LYS 87 -11.076 6.753 3.361 646 H GLU 88 H GLU 88 -9.076 7.042 6.647 647 HA GLU 88 HA GLU 88 -7.906 6.678 9.219 648 1HB GLU 88 1HB GLU 88 -10.113 7.500 9.181 649 2HB GLU 88 2HB GLU 88 -10.198 5.968 10.029 650 1HG GLU 88 1HG GLU 88 -10.746 5.633 7.116 651 2HG GLU 88 2HG GLU 88 -11.806 6.829 7.840 652 H ASP 89 H ASP 89 -8.993 4.276 6.871 653 HA ASP 89 HA ASP 89 -8.829 1.787 8.282 654 1HB ASP 89 1HB ASP 89 -7.717 2.101 5.443 655 2HB ASP 89 2HB ASP 89 -8.348 0.654 6.195 656 H ALA 90 H ALA 90 -7.143 0.291 8.568 657 HA ALA 90 HA ALA 90 -4.914 -0.459 9.146 658 1HB ALA 90 1HB ALA 90 -2.927 0.816 8.299 659 2HB ALA 90 2HB ALA 90 -4.101 0.544 6.996 660 3HB ALA 90 3HB ALA 90 -3.976 2.149 7.757 Start of MODEL 16 Raw file had 660 H/Q atoms Start of MODEL 16 1 1H ALA 1 1H ALA 1 -23.464 0.869 -19.603 2 2H ALA 1 2H ALA 1 -23.171 0.608 -21.239 3 3H ALA 1 3H ALA 1 -22.319 -0.266 -20.082 4 HA ALA 1 HA ALA 1 -20.794 1.269 -20.767 5 1HB ALA 1 1HB ALA 1 -22.791 2.583 -21.969 6 2HB ALA 1 2HB ALA 1 -21.285 3.433 -21.571 7 3HB ALA 1 3HB ALA 1 -22.722 3.637 -20.536 8 H SER 2 H SER 2 -19.671 1.061 -18.942 9 HA SER 2 HA SER 2 -20.703 2.049 -16.255 10 1HB SER 2 1HB SER 2 -18.815 -0.066 -17.124 11 2HB SER 2 2HB SER 2 -18.187 0.900 -15.787 12 HG SER 2 HG SER 2 -20.853 -0.028 -15.795 13 H MET 3 H MET 3 -19.484 3.471 -14.986 14 HA MET 3 HA MET 3 -17.648 5.378 -16.534 15 1HB MET 3 1HB MET 3 -19.748 6.472 -16.003 16 2HB MET 3 2HB MET 3 -19.694 5.962 -14.326 17 1HG MET 3 1HG MET 3 -18.820 8.037 -13.901 18 2HG MET 3 2HG MET 3 -17.294 7.404 -14.534 19 1HE MET 3 1HE MET 3 -16.594 10.155 -16.970 20 2HE MET 3 2HE MET 3 -16.003 8.745 -16.042 21 3HE MET 3 3HE MET 3 -16.690 10.153 -15.180 22 H THR 4 H THR 4 -18.308 5.359 -13.077 23 HA THR 4 HA THR 4 -17.013 4.893 -11.145 24 HB THR 4 HB THR 4 -15.274 3.176 -12.952 25 HG1 THR 4 HG1 THR 4 -17.761 2.848 -11.731 26 1HG2 THR 4 1HG2 THR 4 -14.129 3.302 -10.804 27 2HG2 THR 4 2HG2 THR 4 -14.983 1.743 -10.849 28 3HG2 THR 4 3HG2 THR 4 -15.640 3.096 -9.891 29 H ASP 5 H ASP 5 -16.289 6.874 -10.657 30 HA ASP 5 HA ASP 5 -13.858 8.108 -11.951 31 1HB ASP 5 1HB ASP 5 -15.111 9.302 -9.455 32 2HB ASP 5 2HB ASP 5 -14.284 10.092 -10.778 33 H GLN 6 H GLN 6 -12.583 6.207 -11.404 34 HA GLN 6 HA GLN 6 -11.884 5.658 -8.508 35 1HB GLN 6 1HB GLN 6 -10.146 4.094 -10.033 36 2HB GLN 6 2HB GLN 6 -11.521 4.240 -11.112 37 1HG GLN 6 1HG GLN 6 -11.531 3.087 -8.264 38 2HG GLN 6 2HG GLN 6 -13.016 3.472 -9.105 39 1HE2 GLN 6 1HE2 GLN 6 -10.764 0.494 -10.963 40 2HE2 GLN 6 2HE2 GLN 6 -10.015 2.113 -10.532 41 H GLN 7 H GLN 7 -10.133 6.481 -11.522 42 HA GLN 7 HA GLN 7 -7.563 7.133 -10.162 43 1HB GLN 7 1HB GLN 7 -6.642 7.512 -12.292 44 2HB GLN 7 2HB GLN 7 -7.898 6.327 -12.619 45 1HG GLN 7 1HG GLN 7 -9.046 9.011 -12.923 46 2HG GLN 7 2HG GLN 7 -7.569 8.901 -13.868 47 1HE2 GLN 7 1HE2 GLN 7 -10.952 6.943 -15.107 48 2HE2 GLN 7 2HE2 GLN 7 -10.882 8.021 -13.625 49 H ALA 8 H ALA 8 -10.392 8.909 -11.288 50 HA ALA 8 HA ALA 8 -9.457 11.640 -11.229 51 1HB ALA 8 1HB ALA 8 -11.845 12.284 -10.940 52 2HB ALA 8 2HB ALA 8 -11.664 11.005 -12.155 53 3HB ALA 8 3HB ALA 8 -12.282 10.607 -10.532 54 H GLU 9 H GLU 9 -10.452 9.467 -8.639 55 HA GLU 9 HA GLU 9 -10.700 11.481 -6.482 56 1HB GLU 9 1HB GLU 9 -10.446 8.416 -6.346 57 2HB GLU 9 2HB GLU 9 -10.559 9.431 -4.916 58 1HG GLU 9 1HG GLU 9 -12.753 8.320 -6.056 59 2HG GLU 9 2HG GLU 9 -12.741 9.795 -7.016 60 H ALA 10 H ALA 10 -8.228 8.988 -7.189 61 HA ALA 10 HA ALA 10 -6.301 9.679 -5.112 62 1HB ALA 10 1HB ALA 10 -4.658 8.389 -6.467 63 2HB ALA 10 2HB ALA 10 -6.205 7.531 -6.341 64 3HB ALA 10 3HB ALA 10 -5.772 8.367 -7.855 65 NH1 ARG 11 NH1 ARG 11 -8.630 14.077 -13.588 66 NH2 ARG 11 NH2 ARG 11 -8.482 11.829 -13.302 67 H ARG 11 H ARG 11 -6.969 11.008 -8.291 68 HA ARG 11 HA ARG 11 -4.442 12.499 -8.740 69 1HB ARG 11 1HB ARG 11 -5.532 12.197 -10.769 70 2HB ARG 11 2HB ARG 11 -7.136 12.341 -10.066 71 1HG ARG 11 1HG ARG 11 -7.237 14.657 -10.256 72 2HG ARG 11 2HG ARG 11 -5.496 14.888 -10.074 73 1HD ARG 11 1HD ARG 11 -6.628 15.256 -12.456 74 2HD ARG 11 2HD ARG 11 -5.035 14.503 -12.363 75 HE ARG 11 HE ARG 11 -6.052 12.341 -12.973 76 1HH1 ARG 11 1HH1 ARG 11 -8.164 14.990 -13.539 77 2HH1 ARG 11 2HH1 ARG 11 -9.590 13.893 -13.897 78 1HH2 ARG 11 1HH2 ARG 11 -7.901 11.025 -13.039 79 2HH2 ARG 11 2HH2 ARG 11 -9.454 11.805 -13.628 80 H ALA 12 H ALA 12 -7.745 13.722 -8.115 81 HA ALA 12 HA ALA 12 -7.239 16.416 -7.400 82 1HB ALA 12 1HB ALA 12 -9.331 16.376 -6.055 83 2HB ALA 12 2HB ALA 12 -9.534 15.505 -7.588 84 3HB ALA 12 3HB ALA 12 -9.343 14.596 -6.068 85 H PHE 13 H PHE 13 -6.908 13.518 -5.376 86 HA PHE 13 HA PHE 13 -6.486 14.746 -2.770 87 1HB PHE 13 1HB PHE 13 -5.271 12.089 -3.708 88 2HB PHE 13 2HB PHE 13 -6.966 12.266 -3.337 89 HD1 PHE 13 HD1 PHE 13 -4.305 14.103 -1.408 90 HD2 PHE 13 HD2 PHE 13 -6.890 10.661 -1.459 91 HE1 PHE 13 HE1 PHE 13 -3.779 13.658 0.955 92 HE2 PHE 13 HE2 PHE 13 -6.356 10.238 0.905 93 HZ PHE 13 HZ PHE 13 -4.804 11.731 2.115 94 H LEU 14 H LEU 14 -4.138 13.490 -5.166 95 HA LEU 14 HA LEU 14 -1.752 14.610 -3.712 96 1HB LEU 14 1HB LEU 14 -0.377 13.514 -5.346 97 2HB LEU 14 2HB LEU 14 -1.666 13.417 -6.526 98 HG LEU 14 HG LEU 14 -2.791 11.858 -4.547 99 1HD1 LEU 14 1HD1 LEU 14 0.230 11.298 -4.286 100 2HD1 LEU 14 2HD1 LEU 14 -0.737 12.144 -3.064 101 3HD1 LEU 14 3HD1 LEU 14 -1.094 10.443 -3.453 102 1HD2 LEU 14 1HD2 LEU 14 -2.146 9.886 -5.870 103 2HD2 LEU 14 2HD2 LEU 14 -2.380 11.234 -7.010 104 3HD2 LEU 14 3HD2 LEU 14 -0.741 10.735 -6.564 105 H SER 15 H SER 15 -0.162 15.889 -5.023 106 HA SER 15 HA SER 15 -1.537 18.185 -6.488 107 1HB SER 15 1HB SER 15 1.369 18.289 -5.597 108 2HB SER 15 2HB SER 15 0.206 19.601 -5.803 109 HG SER 15 HG SER 15 0.508 17.760 -3.728 110 H GLU 16 H GLU 16 0.363 19.217 -8.007 111 HA GLU 16 HA GLU 16 0.601 17.362 -10.326 112 1HB GLU 16 1HB GLU 16 1.819 20.159 -10.172 113 2HB GLU 16 2HB GLU 16 0.094 19.918 -10.373 114 1HG GLU 16 1HG GLU 16 0.668 20.079 -12.612 115 2HG GLU 16 2HG GLU 16 0.890 18.346 -12.444 116 H GLU 17 H GLU 17 2.693 18.722 -7.856 117 HA GLU 17 HA GLU 17 5.281 17.915 -9.122 118 1HB GLU 17 1HB GLU 17 4.712 19.823 -7.273 119 2HB GLU 17 2HB GLU 17 6.317 19.195 -7.594 120 1HG GLU 17 1HG GLU 17 4.582 17.870 -5.437 121 2HG GLU 17 2HG GLU 17 6.330 17.843 -5.597 122 H MET 18 H MET 18 3.040 16.650 -6.714 123 HA MET 18 HA MET 18 4.683 14.520 -5.561 124 1HB MET 18 1HB MET 18 2.429 13.442 -4.925 125 2HB MET 18 2HB MET 18 1.632 14.763 -5.761 126 1HG MET 18 1HG MET 18 1.607 15.567 -3.556 127 2HG MET 18 2HG MET 18 3.083 16.343 -4.155 128 1HE MET 18 1HE MET 18 1.505 13.866 -1.630 129 2HE MET 18 2HE MET 18 2.845 13.931 -0.447 130 3HE MET 18 3HE MET 18 2.086 15.446 -1.018 131 H ILE 19 H ILE 19 2.620 14.737 -8.415 132 HA ILE 19 HA ILE 19 2.555 11.902 -9.159 133 HB ILE 19 HB ILE 19 1.910 14.471 -10.591 134 1HG1 ILE 19 1HG1 ILE 19 0.359 11.813 -10.290 135 2HG1 ILE 19 2HG1 ILE 19 -0.257 13.264 -11.053 136 1HG2 ILE 19 1HG2 ILE 19 1.549 13.337 -12.798 137 2HG2 ILE 19 2HG2 ILE 19 3.254 13.280 -12.357 138 3HG2 ILE 19 3HG2 ILE 19 2.247 11.827 -12.163 139 1HD1 ILE 19 1HD1 ILE 19 -0.239 14.536 -8.924 140 2HD1 ILE 19 2HD1 ILE 19 -1.131 13.012 -8.735 141 3HD1 ILE 19 3HD1 ILE 19 0.516 13.158 -8.079 142 H ALA 20 H ALA 20 4.752 14.598 -9.855 143 HA ALA 20 HA ALA 20 6.547 13.465 -11.810 144 1HB ALA 20 1HB ALA 20 8.248 15.066 -10.942 145 2HB ALA 20 2HB ALA 20 6.661 15.838 -11.121 146 3HB ALA 20 3HB ALA 20 7.254 15.387 -9.502 147 H GLU 21 H GLU 21 6.243 12.915 -8.347 148 HA GLU 21 HA GLU 21 8.753 11.540 -7.806 149 1HB GLU 21 1HB GLU 21 8.015 11.383 -5.699 150 2HB GLU 21 2HB GLU 21 6.681 12.388 -6.232 151 1HG GLU 21 1HG GLU 21 6.567 9.302 -6.177 152 2HG GLU 21 2HG GLU 21 5.224 10.377 -6.527 153 H PHE 22 H PHE 22 5.508 10.311 -8.660 154 HA PHE 22 HA PHE 22 6.617 7.540 -9.243 155 1HB PHE 22 1HB PHE 22 3.653 8.262 -9.462 156 2HB PHE 22 2HB PHE 22 4.389 6.708 -9.178 157 HD1 PHE 22 HD1 PHE 22 2.737 9.400 -7.546 158 HD2 PHE 22 HD2 PHE 22 5.902 6.556 -6.895 159 HE1 PHE 22 HE1 PHE 22 2.353 9.512 -5.120 160 HE2 PHE 22 HE2 PHE 22 5.505 6.687 -4.470 161 HZ PHE 22 HZ PHE 22 3.700 8.123 -3.582 162 H LYS 23 H LYS 23 6.949 10.089 -10.925 163 HA LYS 23 HA LYS 23 5.721 9.305 -13.592 164 1HB LYS 23 1HB LYS 23 6.411 11.792 -12.585 165 2HB LYS 23 2HB LYS 23 7.865 11.424 -13.486 166 1HG LYS 23 1HG LYS 23 6.851 12.178 -15.360 167 2HG LYS 23 2HG LYS 23 5.798 10.775 -15.304 168 1HD LYS 23 1HD LYS 23 5.056 13.234 -13.643 169 2HD LYS 23 2HD LYS 23 3.999 11.952 -14.246 170 1HE LYS 23 1HE LYS 23 3.464 13.660 -15.777 171 2HE LYS 23 2HE LYS 23 5.077 14.386 -15.720 172 1HZ LYS 23 1HZ LYS 23 4.379 13.084 -17.803 173 2HZ LYS 23 2HZ LYS 23 4.695 11.712 -16.939 174 3HZ LYS 23 3HZ LYS 23 5.898 12.811 -17.214 175 H ALA 24 H ALA 24 8.859 9.451 -11.930 176 HA ALA 24 HA ALA 24 10.455 8.487 -14.264 177 1HB ALA 24 1HB ALA 24 12.378 8.537 -12.689 178 2HB ALA 24 2HB ALA 24 11.458 10.052 -12.629 179 3HB ALA 24 3HB ALA 24 11.289 8.856 -11.319 180 H ALA 25 H ALA 25 9.581 7.160 -11.055 181 HA ALA 25 HA ALA 25 10.837 4.515 -11.441 182 1HB ALA 25 1HB ALA 25 9.715 3.907 -9.305 183 2HB ALA 25 2HB ALA 25 10.507 5.490 -9.183 184 3HB ALA 25 3HB ALA 25 8.736 5.393 -9.355 185 H PHE 26 H PHE 26 7.856 5.878 -12.500 186 HA PHE 26 HA PHE 26 6.088 3.533 -12.458 187 1HB PHE 26 1HB PHE 26 4.964 5.605 -12.706 188 2HB PHE 26 2HB PHE 26 5.995 6.168 -13.995 189 HD1 PHE 26 HD1 PHE 26 3.521 3.370 -13.259 190 HD2 PHE 26 HD2 PHE 26 5.164 5.997 -16.243 191 HE1 PHE 26 HE1 PHE 26 1.824 2.613 -14.875 192 HE2 PHE 26 HE2 PHE 26 3.462 5.227 -17.846 193 HZ PHE 26 HZ PHE 26 1.782 3.548 -17.163 194 H ASP 27 H ASP 27 8.109 4.989 -15.022 195 HA ASP 27 HA ASP 27 7.618 2.893 -17.050 196 1HB ASP 27 1HB ASP 27 9.825 3.930 -18.103 197 2HB ASP 27 2HB ASP 27 9.646 5.163 -16.876 198 H MET 28 H MET 28 9.978 3.427 -14.500 199 HA MET 28 HA MET 28 12.020 1.445 -15.265 200 1HB MET 28 1HB MET 28 11.519 1.978 -12.320 201 2HB MET 28 2HB MET 28 12.005 3.331 -13.325 202 1HG MET 28 1HG MET 28 14.045 2.444 -12.399 203 2HG MET 28 2HG MET 28 14.046 1.939 -14.097 204 1HE MET 28 1HE MET 28 11.505 0.365 -11.498 205 2HE MET 28 2HE MET 28 12.469 -0.957 -10.774 206 3HE MET 28 3HE MET 28 12.886 0.746 -10.423 207 H PHE 29 H PHE 29 8.978 1.318 -13.489 208 HA PHE 29 HA PHE 29 9.158 -1.543 -12.646 209 1HB PHE 29 1HB PHE 29 7.724 0.260 -11.489 210 2HB PHE 29 2HB PHE 29 6.628 0.196 -12.843 211 HD1 PHE 29 HD1 PHE 29 4.842 -1.402 -12.854 212 HD2 PHE 29 HD2 PHE 29 8.197 -2.090 -10.245 213 HE1 PHE 29 HE1 PHE 29 3.623 -3.233 -11.749 214 HE2 PHE 29 HE2 PHE 29 6.956 -3.912 -9.151 215 HZ PHE 29 HZ PHE 29 4.672 -4.482 -9.892 216 H ASP 30 H ASP 30 7.888 0.335 -15.348 217 HA ASP 30 HA ASP 30 6.562 -1.891 -16.787 218 1HB ASP 30 1HB ASP 30 7.578 0.616 -18.205 219 2HB ASP 30 2HB ASP 30 6.231 0.718 -17.095 220 H ALA 31 H ALA 31 7.324 -3.135 -18.435 221 HA ALA 31 HA ALA 31 10.300 -3.618 -18.553 222 1HB ALA 31 1HB ALA 31 9.683 -5.702 -19.785 223 2HB ALA 31 2HB ALA 31 8.797 -5.554 -18.255 224 3HB ALA 31 3HB ALA 31 7.970 -5.220 -19.799 225 H ASP 32 H ASP 32 7.641 -2.562 -20.630 226 HA ASP 32 HA ASP 32 9.433 -2.212 -23.058 227 1HB ASP 32 1HB ASP 32 7.196 -1.398 -24.151 228 2HB ASP 32 2HB ASP 32 7.466 -3.103 -23.872 229 H GLY 33 H GLY 33 7.013 -0.234 -21.295 230 1HA GLY 33 1HA GLY 33 7.834 1.916 -20.127 231 2HA GLY 33 2HA GLY 33 8.889 2.163 -21.499 232 H GLY 34 H GLY 34 5.879 2.810 -20.104 233 1HA GLY 34 1HA GLY 34 5.146 4.737 -22.309 234 2HA GLY 34 2HA GLY 34 4.387 4.653 -20.716 235 H GLY 35 H GLY 35 2.526 3.609 -20.466 236 1HA GLY 35 1HA GLY 35 0.558 3.220 -22.364 237 2HA GLY 35 2HA GLY 35 1.439 1.702 -22.575 238 H ASP 36 H ASP 36 2.156 0.945 -20.113 239 HA ASP 36 HA ASP 36 0.353 0.925 -17.904 240 1HB ASP 36 1HB ASP 36 -1.587 0.370 -19.112 241 2HB ASP 36 2HB ASP 36 -1.092 -1.135 -18.372 242 H ILE 37 H ILE 37 0.223 -1.554 -17.024 243 HA ILE 37 HA ILE 37 2.907 -2.935 -17.428 244 HB ILE 37 HB ILE 37 2.019 -2.488 -14.578 245 1HG1 ILE 37 1HG1 ILE 37 3.408 -0.361 -16.262 246 2HG1 ILE 37 2HG1 ILE 37 2.162 -0.182 -15.043 247 1HG2 ILE 37 1HG2 ILE 37 4.379 -2.952 -14.040 248 2HG2 ILE 37 2HG2 ILE 37 3.746 -4.223 -15.096 249 3HG2 ILE 37 3HG2 ILE 37 4.817 -2.969 -15.766 250 1HD1 ILE 37 1HD1 ILE 37 5.119 -0.777 -14.434 251 2HD1 ILE 37 2HD1 ILE 37 4.239 0.741 -14.159 252 3HD1 ILE 37 3HD1 ILE 37 3.825 -0.704 -13.208 253 H SER 38 H SER 38 2.274 -4.802 -18.142 254 HA SER 38 HA SER 38 -0.118 -6.311 -17.128 255 1HB SER 38 1HB SER 38 0.899 -6.375 -19.541 256 2HB SER 38 2HB SER 38 2.072 -7.517 -18.880 257 HG SER 38 HG SER 38 -0.607 -7.795 -19.380 258 H THR 39 H THR 39 0.472 -8.746 -16.641 259 HA THR 39 HA THR 39 1.899 -8.789 -14.032 260 HB THR 39 HB THR 39 1.437 -11.470 -14.562 261 HG1 THR 39 HG1 THR 39 -0.514 -11.604 -15.530 262 1HG2 THR 39 1HG2 THR 39 -0.538 -11.312 -13.111 263 2HG2 THR 39 2HG2 THR 39 0.725 -10.234 -12.472 264 3HG2 THR 39 3HG2 THR 39 -0.662 -9.555 -13.365 265 H LYS 40 H LYS 40 2.583 -9.744 -17.345 266 HA LYS 40 HA LYS 40 4.906 -11.415 -16.991 267 1HB LYS 40 1HB LYS 40 4.626 -9.458 -19.316 268 2HB LYS 40 2HB LYS 40 3.546 -10.822 -19.184 269 1HG LYS 40 1HG LYS 40 5.589 -12.349 -19.276 270 2HG LYS 40 2HG LYS 40 5.349 -11.378 -20.704 271 1HD LYS 40 1HD LYS 40 7.226 -9.815 -19.980 272 2HD LYS 40 2HD LYS 40 7.365 -10.726 -18.505 273 1HE LYS 40 1HE LYS 40 7.660 -12.543 -20.805 274 2HE LYS 40 2HE LYS 40 8.839 -11.240 -20.870 275 1HZ LYS 40 1HZ LYS 40 8.406 -12.792 -18.371 276 2HZ LYS 40 2HZ LYS 40 9.733 -11.911 -18.808 277 3HZ LYS 40 3HZ LYS 40 9.409 -13.345 -19.562 278 H GLU 41 H GLU 41 4.784 -7.902 -17.709 279 HA GLU 41 HA GLU 41 7.650 -7.393 -17.314 280 1HB GLU 41 1HB GLU 41 7.211 -5.066 -17.590 281 2HB GLU 41 2HB GLU 41 5.536 -5.218 -17.107 282 1HG GLU 41 1HG GLU 41 6.786 -5.641 -19.798 283 2HG GLU 41 2HG GLU 41 5.625 -6.879 -19.369 284 H LEU 42 H LEU 42 4.797 -7.147 -15.241 285 HA LEU 42 HA LEU 42 5.728 -5.800 -12.911 286 1HB LEU 42 1HB LEU 42 4.024 -8.361 -12.854 287 2HB LEU 42 2HB LEU 42 3.393 -6.788 -13.291 288 HG LEU 42 HG LEU 42 3.541 -5.926 -11.076 289 1HD1 LEU 42 1HD1 LEU 42 2.397 -7.623 -9.627 290 2HD1 LEU 42 2HD1 LEU 42 1.730 -7.622 -11.267 291 3HD1 LEU 42 3HD1 LEU 42 2.844 -8.919 -10.766 292 1HD2 LEU 42 1HD2 LEU 42 5.414 -8.255 -10.272 293 2HD2 LEU 42 2HD2 LEU 42 5.903 -6.561 -10.526 294 3HD2 LEU 42 3HD2 LEU 42 4.813 -6.972 -9.190 295 H GLY 43 H GLY 43 6.124 -9.247 -13.738 296 1HA GLY 43 1HA GLY 43 7.656 -10.951 -12.951 297 2HA GLY 43 2HA GLY 43 7.482 -10.173 -11.374 298 H THR 44 H THR 44 8.803 -8.700 -14.312 299 HA THR 44 HA THR 44 11.587 -9.240 -14.057 300 HB THR 44 HB THR 44 10.027 -7.119 -15.448 301 HG1 THR 44 HG1 THR 44 11.487 -7.780 -17.074 302 1HG2 THR 44 1HG2 THR 44 12.033 -5.797 -16.143 303 2HG2 THR 44 2HG2 THR 44 11.693 -5.585 -14.413 304 3HG2 THR 44 3HG2 THR 44 13.028 -6.644 -14.934 305 H VAL 45 H VAL 45 9.970 -6.254 -12.925 306 HA VAL 45 HA VAL 45 12.277 -5.161 -11.491 307 HB VAL 45 HB VAL 45 9.477 -4.357 -11.891 308 1HG1 VAL 45 1HG1 VAL 45 9.222 -2.910 -9.874 309 2HG1 VAL 45 2HG1 VAL 45 9.264 -4.615 -9.407 310 3HG1 VAL 45 3HG1 VAL 45 10.703 -3.600 -9.159 311 1HG2 VAL 45 1HG2 VAL 45 12.009 -2.688 -11.291 312 2HG2 VAL 45 2HG2 VAL 45 11.396 -3.102 -12.909 313 3HG2 VAL 45 3HG2 VAL 45 10.442 -2.049 -11.854 314 H MET 46 H MET 46 9.623 -7.307 -10.603 315 HA MET 46 HA MET 46 9.787 -7.230 -7.705 316 1HB MET 46 1HB MET 46 8.895 -9.737 -7.935 317 2HB MET 46 2HB MET 46 8.768 -9.349 -9.641 318 1HG MET 46 1HG MET 46 7.429 -7.162 -8.681 319 2HG MET 46 2HG MET 46 6.634 -8.708 -9.020 320 1HE MET 46 1HE MET 46 7.242 -5.979 -6.447 321 2HE MET 46 2HE MET 46 7.431 -6.812 -4.876 322 3HE MET 46 3HE MET 46 8.756 -6.863 -6.075 323 NH1 ARG 47 NH1 ARG 47 18.745 -11.856 -9.522 324 NH2 ARG 47 NH2 ARG 47 18.625 -14.113 -9.759 325 H ARG 47 H ARG 47 11.652 -8.966 -10.135 326 HA ARG 47 HA ARG 47 12.978 -10.979 -8.514 327 1HB ARG 47 1HB ARG 47 14.440 -9.668 -10.846 328 2HB ARG 47 2HB ARG 47 12.955 -10.563 -11.143 329 1HG ARG 47 1HG ARG 47 14.458 -12.305 -9.452 330 2HG ARG 47 2HG ARG 47 14.122 -12.491 -11.173 331 1HD ARG 47 1HD ARG 47 16.213 -11.291 -11.799 332 2HD ARG 47 2HD ARG 47 16.498 -10.832 -10.127 333 HE ARG 47 HE ARG 47 16.467 -13.799 -10.756 334 1HH1 ARG 47 1HH1 ARG 47 18.293 -10.946 -9.665 335 2HH1 ARG 47 2HH1 ARG 47 19.665 -12.026 -9.101 336 1HH2 ARG 47 1HH2 ARG 47 18.086 -14.925 -10.079 337 2HH2 ARG 47 2HH2 ARG 47 19.554 -14.125 -9.322 338 H MET 48 H MET 48 13.704 -7.583 -9.142 339 HA MET 48 HA MET 48 16.413 -7.303 -8.267 340 1HB MET 48 1HB MET 48 14.680 -5.458 -9.138 341 2HB MET 48 2HB MET 48 16.135 -5.041 -8.253 342 1HG MET 48 1HG MET 48 13.420 -4.353 -7.580 343 2HG MET 48 2HG MET 48 13.967 -5.462 -6.312 344 1HE MET 48 1HE MET 48 13.243 -2.415 -5.631 345 2HE MET 48 2HE MET 48 14.563 -1.226 -5.824 346 3HE MET 48 3HE MET 48 13.719 -1.862 -7.266 347 H LEU 49 H LEU 49 13.465 -7.662 -6.371 348 HA LEU 49 HA LEU 49 14.237 -6.980 -3.714 349 1HB LEU 49 1HB LEU 49 12.697 -9.574 -4.112 350 2HB LEU 49 2HB LEU 49 11.989 -8.096 -4.725 351 HG LEU 49 HG LEU 49 12.914 -8.269 -1.805 352 1HD1 LEU 49 1HD1 LEU 49 10.109 -9.068 -2.804 353 2HD1 LEU 49 2HD1 LEU 49 11.355 -10.224 -2.300 354 3HD1 LEU 49 3HD1 LEU 49 10.687 -9.071 -1.118 355 1HD2 LEU 49 1HD2 LEU 49 11.293 -6.463 -1.403 356 2HD2 LEU 49 2HD2 LEU 49 12.279 -5.982 -2.806 357 3HD2 LEU 49 3HD2 LEU 49 10.639 -6.599 -3.055 358 H GLY 50 H GLY 50 14.339 -10.337 -4.948 359 1HA GLY 50 1HA GLY 50 17.113 -10.975 -4.452 360 2HA GLY 50 2HA GLY 50 16.291 -11.289 -2.918 361 H GLN 51 H GLN 51 13.807 -12.152 -3.837 362 HA GLN 51 HA GLN 51 14.387 -15.014 -4.594 363 1HB GLN 51 1HB GLN 51 12.407 -13.767 -3.018 364 2HB GLN 51 2HB GLN 51 11.531 -14.216 -4.469 365 1HG GLN 51 1HG GLN 51 12.831 -15.999 -2.394 366 2HG GLN 51 2HG GLN 51 12.837 -16.598 -4.038 367 1HE2 GLN 51 1HE2 GLN 51 9.412 -16.847 -1.857 368 2HE2 GLN 51 2HE2 GLN 51 11.083 -16.485 -1.192 369 H ASN 52 H ASN 52 12.412 -15.796 -6.161 370 HA ASN 52 HA ASN 52 11.933 -13.958 -8.470 371 1HB ASN 52 1HB ASN 52 13.358 -16.570 -9.165 372 2HB ASN 52 2HB ASN 52 14.292 -15.157 -8.726 373 1HD2 ASN 52 1HD2 ASN 52 14.073 -14.898 -12.404 374 2HD2 ASN 52 2HD2 ASN 52 15.058 -15.567 -11.007 375 HA PRO 53 HA PRO 53 8.478 -17.133 -7.828 376 1HB PRO 53 1HB PRO 53 6.302 -15.468 -8.136 377 2HB PRO 53 2HB PRO 53 7.279 -15.560 -6.663 378 1HG PRO 53 1HG PRO 53 7.421 -13.460 -8.874 379 2HG PRO 53 2HG PRO 53 7.448 -13.204 -7.114 380 1HD PRO 53 1HD PRO 53 9.792 -13.671 -7.003 381 2HD PRO 53 2HD PRO 53 9.754 -13.310 -8.755 382 H THR 54 H THR 54 6.384 -17.448 -9.301 383 HA THR 54 HA THR 54 7.318 -17.522 -12.197 384 HB THR 54 HB THR 54 6.411 -19.603 -10.709 385 HG1 THR 54 HG1 THR 54 5.609 -19.785 -13.305 386 1HG2 THR 54 1HG2 THR 54 4.154 -20.304 -11.437 387 2HG2 THR 54 2HG2 THR 54 4.043 -18.788 -10.513 388 3HG2 THR 54 3HG2 THR 54 3.901 -18.762 -12.290 389 H LYS 55 H LYS 55 5.843 -17.010 -13.875 390 HA LYS 55 HA LYS 55 4.619 -14.386 -13.550 391 1HB LYS 55 1HB LYS 55 5.570 -15.172 -15.718 392 2HB LYS 55 2HB LYS 55 3.953 -14.524 -15.894 393 1HG LYS 55 1HG LYS 55 4.473 -16.573 -17.280 394 2HG LYS 55 2HG LYS 55 4.588 -17.535 -15.817 395 1HD LYS 55 1HD LYS 55 2.287 -17.391 -17.266 396 2HD LYS 55 2HD LYS 55 2.285 -17.630 -15.526 397 1HE LYS 55 1HE LYS 55 1.418 -15.544 -15.053 398 2HE LYS 55 2HE LYS 55 2.268 -14.730 -16.364 399 1HZ LYS 55 1HZ LYS 55 0.495 -15.011 -17.710 400 2HZ LYS 55 2HZ LYS 55 -0.368 -15.390 -16.354 401 3HZ LYS 55 3HZ LYS 55 0.256 -16.593 -17.298 402 H GLU 56 H GLU 56 3.356 -17.671 -13.465 403 HA GLU 56 HA GLU 56 0.478 -17.030 -13.679 404 1HB GLU 56 1HB GLU 56 1.093 -19.544 -12.235 405 2HB GLU 56 2HB GLU 56 2.013 -19.392 -13.718 406 1HG GLU 56 1HG GLU 56 -0.049 -19.193 -15.069 407 2HG GLU 56 2HG GLU 56 -0.135 -20.624 -14.057 408 H GLU 57 H GLU 57 2.815 -17.395 -11.058 409 HA GLU 57 HA GLU 57 0.973 -17.208 -8.751 410 1HB GLU 57 1HB GLU 57 3.206 -16.281 -7.613 411 2HB GLU 57 2HB GLU 57 3.960 -16.881 -9.075 412 1HG GLU 57 1HG GLU 57 2.127 -18.790 -7.538 413 2HG GLU 57 2HG GLU 57 3.508 -19.173 -8.559 414 H LEU 58 H LEU 58 2.662 -14.904 -10.825 415 HA LEU 58 HA LEU 58 2.086 -12.448 -9.350 416 1HB LEU 58 1HB LEU 58 2.871 -13.054 -12.236 417 2HB LEU 58 2HB LEU 58 2.405 -11.426 -11.786 418 HG LEU 58 HG LEU 58 4.370 -12.472 -9.844 419 1HD1 LEU 58 1HD1 LEU 58 4.738 -10.203 -11.911 420 2HD1 LEU 58 2HD1 LEU 58 3.892 -9.987 -10.371 421 3HD1 LEU 58 3HD1 LEU 58 5.620 -10.418 -10.377 422 1HD2 LEU 58 1HD2 LEU 58 6.311 -12.847 -11.320 423 2HD2 LEU 58 2HD2 LEU 58 5.010 -13.962 -11.806 424 3HD2 LEU 58 3HD2 LEU 58 5.335 -12.511 -12.773 425 H ASP 59 H ASP 59 0.348 -14.325 -11.781 426 HA ASP 59 HA ASP 59 -1.703 -12.542 -12.659 427 1HB ASP 59 1HB ASP 59 -1.378 -14.811 -13.636 428 2HB ASP 59 2HB ASP 59 -2.011 -15.559 -12.188 429 H ALA 60 H ALA 60 -1.407 -14.323 -9.639 430 HA ALA 60 HA ALA 60 -4.096 -13.704 -8.551 431 1HB ALA 60 1HB ALA 60 -3.196 -14.592 -6.406 432 2HB ALA 60 2HB ALA 60 -2.826 -15.675 -7.762 433 3HB ALA 60 3HB ALA 60 -1.549 -14.636 -7.079 434 H ILE 61 H ILE 61 -0.809 -12.425 -7.995 435 HA ILE 61 HA ILE 61 -1.158 -10.397 -6.068 436 HB ILE 61 HB ILE 61 0.660 -10.415 -8.505 437 1HG1 ILE 61 1HG1 ILE 61 2.390 -10.953 -6.816 438 2HG1 ILE 61 2HG1 ILE 61 1.259 -10.711 -5.491 439 1HG2 ILE 61 1HG2 ILE 61 1.957 -8.512 -7.504 440 2HG2 ILE 61 2HG2 ILE 61 0.340 -7.993 -7.976 441 3HG2 ILE 61 3HG2 ILE 61 0.701 -8.294 -6.260 442 1HD1 ILE 61 1HD1 ILE 61 1.113 -13.034 -7.491 443 2HD1 ILE 61 2HD1 ILE 61 1.590 -13.102 -5.781 444 3HD1 ILE 61 3HD1 ILE 61 -0.089 -12.703 -6.213 445 H ILE 62 H ILE 62 -1.984 -10.314 -9.524 446 HA ILE 62 HA ILE 62 -2.926 -7.455 -9.479 447 HB ILE 62 HB ILE 62 -2.747 -9.553 -11.679 448 1HG1 ILE 62 1HG1 ILE 62 -1.359 -6.869 -11.118 449 2HG1 ILE 62 2HG1 ILE 62 -0.631 -8.447 -11.327 450 1HG2 ILE 62 1HG2 ILE 62 -3.731 -7.926 -13.319 451 2HG2 ILE 62 2HG2 ILE 62 -4.923 -8.357 -12.095 452 3HG2 ILE 62 3HG2 ILE 62 -4.095 -6.786 -12.000 453 1HD1 ILE 62 1HD1 ILE 62 -1.880 -6.805 -13.610 454 2HD1 ILE 62 2HD1 ILE 62 -0.158 -7.127 -13.315 455 3HD1 ILE 62 3HD1 ILE 62 -1.238 -8.463 -13.780 456 H GLU 63 H GLU 63 -4.213 -10.744 -9.486 457 HA GLU 63 HA GLU 63 -6.990 -10.454 -9.889 458 1HB GLU 63 1HB GLU 63 -6.143 -12.163 -7.534 459 2HB GLU 63 2HB GLU 63 -5.495 -12.549 -9.116 460 1HG GLU 63 1HG GLU 63 -7.739 -13.700 -8.242 461 2HG GLU 63 2HG GLU 63 -8.524 -12.213 -8.746 462 H GLU 64 H GLU 64 -5.073 -9.421 -7.131 463 HA GLU 64 HA GLU 64 -7.195 -8.800 -5.228 464 1HB GLU 64 1HB GLU 64 -5.160 -8.868 -4.173 465 2HB GLU 64 2HB GLU 64 -4.285 -8.100 -5.483 466 1HG GLU 64 1HG GLU 64 -5.533 -5.873 -4.749 467 2HG GLU 64 2HG GLU 64 -4.171 -6.457 -3.808 468 H VAL 65 H VAL 65 -5.221 -6.388 -6.984 469 HA VAL 65 HA VAL 65 -7.655 -4.531 -7.131 470 HB VAL 65 HB VAL 65 -5.991 -3.614 -5.647 471 1HG1 VAL 65 1HG1 VAL 65 -5.814 -1.981 -8.261 472 2HG1 VAL 65 2HG1 VAL 65 -7.256 -2.035 -7.230 473 3HG1 VAL 65 3HG1 VAL 65 -5.734 -1.369 -6.590 474 1HG2 VAL 65 1HG2 VAL 65 -3.666 -3.085 -6.194 475 2HG2 VAL 65 2HG2 VAL 65 -3.910 -4.791 -6.638 476 3HG2 VAL 65 3HG2 VAL 65 -3.878 -3.551 -7.899 477 H ASP 66 H ASP 66 -8.441 -5.187 -9.084 478 HA ASP 66 HA ASP 66 -7.581 -3.979 -11.531 479 1HB ASP 66 1HB ASP 66 -6.861 -6.708 -12.283 480 2HB ASP 66 2HB ASP 66 -5.850 -6.210 -10.946 481 H GLU 67 H GLU 67 -9.909 -4.318 -10.276 482 HA GLU 67 HA GLU 67 -11.514 -6.610 -11.381 483 1HB GLU 67 1HB GLU 67 -11.734 -5.645 -9.008 484 2HB GLU 67 2HB GLU 67 -13.203 -6.049 -9.877 485 1HG GLU 67 1HG GLU 67 -13.975 -3.969 -9.341 486 2HG GLU 67 2HG GLU 67 -12.850 -3.310 -10.516 487 H ASP 68 H ASP 68 -10.321 -4.485 -13.169 488 HA ASP 68 HA ASP 68 -12.859 -3.330 -14.423 489 1HB ASP 68 1HB ASP 68 -10.776 -1.968 -15.681 490 2HB ASP 68 2HB ASP 68 -11.795 -1.368 -14.393 491 H GLY 69 H GLY 69 -11.760 -6.073 -14.706 492 1HA GLY 69 1HA GLY 69 -11.256 -7.719 -16.429 493 2HA GLY 69 2HA GLY 69 -12.411 -6.750 -17.350 494 H SER 70 H SER 70 -9.284 -5.584 -16.207 495 HA SER 70 HA SER 70 -8.500 -4.868 -19.056 496 1HB SER 70 1HB SER 70 -8.486 -2.972 -17.606 497 2HB SER 70 2HB SER 70 -6.793 -3.364 -17.920 498 HG SER 70 HG SER 70 -6.524 -3.903 -15.922 499 H GLY 71 H GLY 71 -6.843 -6.046 -16.094 500 1HA GLY 71 1HA GLY 71 -5.281 -7.945 -15.864 501 2HA GLY 71 2HA GLY 71 -5.341 -8.169 -17.617 502 H THR 72 H THR 72 -4.772 -5.039 -16.148 503 HA THR 72 HA THR 72 -1.787 -5.178 -16.331 504 HB THR 72 HB THR 72 -1.515 -3.222 -17.866 505 HG1 THR 72 HG1 THR 72 -3.341 -2.240 -18.071 506 1HG2 THR 72 1HG2 THR 72 -1.794 -4.376 -20.020 507 2HG2 THR 72 2HG2 THR 72 -1.156 -5.531 -18.830 508 3HG2 THR 72 3HG2 THR 72 -2.873 -5.596 -19.306 509 H ILE 73 H ILE 73 -1.128 -2.580 -16.120 510 HA ILE 73 HA ILE 73 -2.824 -1.292 -13.950 511 HB ILE 73 HB ILE 73 0.119 -2.006 -13.488 512 1HG1 ILE 73 1HG1 ILE 73 -2.208 -2.903 -11.699 513 2HG1 ILE 73 2HG1 ILE 73 -1.825 -3.818 -13.142 514 1HG2 ILE 73 1HG2 ILE 73 -0.071 -0.871 -11.279 515 2HG2 ILE 73 2HG2 ILE 73 -0.453 0.279 -12.568 516 3HG2 ILE 73 3HG2 ILE 73 -1.765 -0.430 -11.596 517 1HD1 ILE 73 1HD1 ILE 73 0.138 -3.359 -10.820 518 2HD1 ILE 73 2HD1 ILE 73 -0.703 -4.863 -11.249 519 3HD1 ILE 73 3HD1 ILE 73 0.537 -4.203 -12.342 520 H ASP 74 H ASP 74 -3.298 0.280 -15.416 521 HA ASP 74 HA ASP 74 -1.397 1.683 -17.164 522 1HB ASP 74 1HB ASP 74 -3.143 2.999 -17.897 523 2HB ASP 74 2HB ASP 74 -3.833 3.215 -16.305 524 H PHE 75 H PHE 75 -1.368 4.239 -16.877 525 HA PHE 75 HA PHE 75 0.319 4.869 -14.538 526 1HB PHE 75 1HB PHE 75 -0.945 6.811 -16.567 527 2HB PHE 75 2HB PHE 75 0.555 5.958 -16.814 528 HD1 PHE 75 HD1 PHE 75 -0.582 7.547 -13.567 529 HD2 PHE 75 HD2 PHE 75 2.115 7.789 -16.912 530 HE1 PHE 75 HE1 PHE 75 0.629 9.388 -12.471 531 HE2 PHE 75 HE2 PHE 75 3.312 9.631 -15.799 532 HZ PHE 75 HZ PHE 75 2.573 10.434 -13.584 533 H GLU 76 H GLU 76 -3.023 5.582 -15.501 534 HA GLU 76 HA GLU 76 -3.700 7.370 -13.261 535 1HB GLU 76 1HB GLU 76 -5.702 7.681 -14.233 536 2HB GLU 76 2HB GLU 76 -6.019 5.972 -14.437 537 1HG GLU 76 1HG GLU 76 -4.128 6.289 -16.424 538 2HG GLU 76 2HG GLU 76 -5.857 6.427 -16.660 539 H GLU 77 H GLU 77 -3.901 3.901 -13.810 540 HA GLU 77 HA GLU 77 -5.481 3.276 -11.344 541 1HB GLU 77 1HB GLU 77 -5.783 1.818 -13.242 542 2HB GLU 77 2HB GLU 77 -4.071 1.487 -13.370 543 1HG GLU 77 1HG GLU 77 -5.677 0.662 -10.878 544 2HG GLU 77 2HG GLU 77 -4.070 0.110 -11.336 545 H PHE 78 H PHE 78 -2.111 3.442 -12.288 546 HA PHE 78 HA PHE 78 -0.869 1.994 -10.100 547 1HB PHE 78 1HB PHE 78 0.283 4.413 -11.626 548 2HB PHE 78 2HB PHE 78 0.326 2.769 -12.210 549 HD1 PHE 78 HD1 PHE 78 2.069 1.224 -11.374 550 HD2 PHE 78 HD2 PHE 78 1.600 5.092 -9.551 551 HE1 PHE 78 HE1 PHE 78 4.172 0.907 -10.134 552 HE2 PHE 78 HE2 PHE 78 3.701 4.755 -8.315 553 HZ PHE 78 HZ PHE 78 4.994 2.670 -8.609 554 H LEU 79 H LEU 79 -1.568 5.476 -10.477 555 HA LEU 79 HA LEU 79 -0.563 6.382 -7.897 556 1HB LEU 79 1HB LEU 79 -2.537 8.246 -8.423 557 2HB LEU 79 2HB LEU 79 -2.353 7.559 -10.023 558 HG LEU 79 HG LEU 79 0.213 8.356 -8.617 559 1HD1 LEU 79 1HD1 LEU 79 0.875 9.039 -10.926 560 2HD1 LEU 79 2HD1 LEU 79 0.278 7.369 -10.914 561 3HD1 LEU 79 3HD1 LEU 79 -0.762 8.677 -11.531 562 1HD2 LEU 79 1HD2 LEU 79 -1.730 10.469 -9.772 563 2HD2 LEU 79 2HD2 LEU 79 -1.224 10.328 -8.070 564 3HD2 LEU 79 3HD2 LEU 79 -0.036 10.764 -9.307 565 H VAL 80 H VAL 80 -3.712 5.158 -8.936 566 HA VAL 80 HA VAL 80 -5.231 5.740 -6.480 567 HB VAL 80 HB VAL 80 -5.739 4.135 -8.953 568 1HG1 VAL 80 1HG1 VAL 80 -7.663 5.916 -7.332 569 2HG1 VAL 80 2HG1 VAL 80 -6.546 6.557 -8.545 570 3HG1 VAL 80 3HG1 VAL 80 -7.812 5.408 -9.035 571 1HG2 VAL 80 1HG2 VAL 80 -7.702 2.928 -8.118 572 2HG2 VAL 80 2HG2 VAL 80 -6.321 2.432 -7.112 573 3HG2 VAL 80 3HG2 VAL 80 -7.498 3.591 -6.478 574 H MET 81 H MET 81 -3.185 3.095 -7.598 575 HA MET 81 HA MET 81 -3.762 1.035 -5.596 576 1HB MET 81 1HB MET 81 -0.916 1.301 -6.593 577 2HB MET 81 2HB MET 81 -2.163 1.068 -7.805 578 1HG MET 81 1HG MET 81 -2.147 -0.831 -5.413 579 2HG MET 81 2HG MET 81 -2.710 -1.116 -7.068 580 1HE MET 81 1HE MET 81 -1.280 -1.712 -9.107 581 2HE MET 81 2HE MET 81 0.159 -2.733 -8.809 582 3HE MET 81 3HE MET 81 -1.401 -3.150 -8.044 583 H MET 82 H MET 82 -1.021 3.333 -5.733 584 HA MET 82 HA MET 82 -0.029 2.772 -3.032 585 1HB MET 82 1HB MET 82 1.109 5.184 -3.455 586 2HB MET 82 2HB MET 82 0.568 4.913 -5.101 587 1HG MET 82 1HG MET 82 2.703 3.962 -5.209 588 2HG MET 82 2HG MET 82 1.764 2.518 -4.809 589 1HE MET 82 1HE MET 82 5.428 3.604 -2.656 590 2HE MET 82 2HE MET 82 4.760 4.606 -3.978 591 3HE MET 82 3HE MET 82 5.023 2.856 -4.234 592 H VAL 83 H VAL 83 -2.471 4.942 -4.285 593 HA VAL 83 HA VAL 83 -2.559 6.934 -2.150 594 HB VAL 83 HB VAL 83 -4.067 6.426 -4.565 595 1HG1 VAL 83 1HG1 VAL 83 -6.344 7.209 -3.900 596 2HG1 VAL 83 2HG1 VAL 83 -5.974 5.655 -3.138 597 3HG1 VAL 83 3HG1 VAL 83 -5.888 7.150 -2.177 598 1HG2 VAL 83 1HG2 VAL 83 -4.001 8.939 -2.766 599 2HG2 VAL 83 2HG2 VAL 83 -2.877 8.586 -4.099 600 3HG2 VAL 83 3HG2 VAL 83 -4.589 8.868 -4.448 601 NH1 ARG 84 NH1 ARG 84 -9.561 -0.113 -3.985 602 NH2 ARG 84 NH2 ARG 84 -8.908 -1.544 -2.347 603 H ARG 84 H ARG 84 -4.160 3.812 -2.649 604 HA ARG 84 HA ARG 84 -6.103 3.923 -0.423 605 1HB ARG 84 1HB ARG 84 -4.948 1.617 -2.081 606 2HB ARG 84 2HB ARG 84 -5.964 1.306 -0.681 607 1HG ARG 84 1HG ARG 84 -7.911 2.053 -1.680 608 2HG ARG 84 2HG ARG 84 -7.110 3.321 -2.611 609 1HD ARG 84 1HD ARG 84 -7.802 1.749 -4.272 610 2HD ARG 84 2HD ARG 84 -6.075 1.428 -4.095 611 HE ARG 84 HE ARG 84 -6.619 -0.712 -2.989 612 1HH1 ARG 84 1HH1 ARG 84 -9.298 0.626 -4.646 613 2HH1 ARG 84 2HH1 ARG 84 -10.487 -0.543 -3.881 614 1HH2 ARG 84 1HH2 ARG 84 -8.143 -1.905 -1.766 615 2HH2 ARG 84 2HH2 ARG 84 -9.883 -1.864 -2.347 616 H GLN 85 H GLN 85 -2.795 2.664 -0.782 617 HA GLN 85 HA GLN 85 -2.612 1.354 1.869 618 1HB GLN 85 1HB GLN 85 -0.465 2.153 -0.171 619 2HB GLN 85 2HB GLN 85 -0.081 1.392 1.362 620 1HG GLN 85 1HG GLN 85 -0.501 0.000 -0.949 621 2HG GLN 85 2HG GLN 85 -2.153 0.000 -0.374 622 1HE2 GLN 85 1HE2 GLN 85 -0.758 -1.746 2.803 623 2HE2 GLN 85 2HE2 GLN 85 -1.518 -0.107 2.484 624 H MET 86 H MET 86 -1.926 4.557 0.581 625 HA MET 86 HA MET 86 -0.268 5.620 2.762 626 1HB MET 86 1HB MET 86 -0.041 7.398 1.412 627 2HB MET 86 2HB MET 86 -1.015 6.529 0.240 628 1HG MET 86 1HG MET 86 -3.063 7.648 0.819 629 2HG MET 86 2HG MET 86 -2.411 8.277 2.338 630 1HE MET 86 1HE MET 86 -3.739 9.604 -0.676 631 2HE MET 86 2HE MET 86 -2.473 10.454 -1.611 632 3HE MET 86 3HE MET 86 -2.538 8.667 -1.619 633 H LYS 87 H LYS 87 -3.748 5.772 2.026 634 HA LYS 87 HA LYS 87 -4.437 7.127 4.655 635 1HB LYS 87 1HB LYS 87 -6.576 7.518 3.831 636 2HB LYS 87 2HB LYS 87 -5.638 7.545 2.345 637 1HG LYS 87 1HG LYS 87 -7.124 5.038 3.311 638 2HG LYS 87 2HG LYS 87 -6.325 5.235 1.759 639 1HD LYS 87 1HD LYS 87 -7.998 6.879 1.017 640 2HD LYS 87 2HD LYS 87 -8.801 5.433 1.619 641 1HE LYS 87 1HE LYS 87 -8.845 6.895 3.956 642 2HE LYS 87 2HE LYS 87 -8.805 8.236 2.804 643 1HZ LYS 87 1HZ LYS 87 -10.717 7.059 1.651 644 2HZ LYS 87 2HZ LYS 87 -11.057 7.706 3.133 645 3HZ LYS 87 3HZ LYS 87 -10.833 6.077 2.975 646 H GLU 88 H GLU 88 -6.607 6.015 5.555 647 HA GLU 88 HA GLU 88 -7.542 4.227 6.851 648 1HB GLU 88 1HB GLU 88 -6.870 1.808 5.912 649 2HB GLU 88 2HB GLU 88 -6.315 2.718 4.521 650 1HG GLU 88 1HG GLU 88 -8.613 3.682 4.195 651 2HG GLU 88 2HG GLU 88 -8.614 1.928 4.142 652 H ASP 89 H ASP 89 -4.757 2.284 5.995 653 HA ASP 89 HA ASP 89 -2.855 1.479 7.232 654 1HB ASP 89 1HB ASP 89 -2.151 3.207 9.223 655 2HB ASP 89 2HB ASP 89 -3.117 4.306 8.265 656 H ALA 90 H ALA 90 -4.582 -0.056 7.831 657 HA ALA 90 HA ALA 90 -5.390 0.040 10.788 658 1HB ALA 90 1HB ALA 90 -7.075 -1.731 10.227 659 2HB ALA 90 2HB ALA 90 -7.320 -0.290 9.221 660 3HB ALA 90 3HB ALA 90 -6.548 -1.736 8.525 Start of MODEL 17 Raw file had 660 H/Q atoms Start of MODEL 17 1 1H ALA 1 1H ALA 1 -23.696 7.649 -22.069 2 2H ALA 1 2H ALA 1 -23.297 8.695 -20.815 3 3H ALA 1 3H ALA 1 -22.108 8.169 -21.881 4 HA ALA 1 HA ALA 1 -23.525 6.678 -19.775 5 1HB ALA 1 1HB ALA 1 -23.365 5.538 -22.218 6 2HB ALA 1 2HB ALA 1 -23.087 4.588 -20.746 7 3HB ALA 1 3HB ALA 1 -21.701 5.170 -21.704 8 H SER 2 H SER 2 -22.130 6.051 -18.162 9 HA SER 2 HA SER 2 -19.299 7.243 -18.201 10 1HB SER 2 1HB SER 2 -19.842 7.401 -15.561 11 2HB SER 2 2HB SER 2 -20.225 8.696 -16.699 12 HG SER 2 HG SER 2 -21.896 7.812 -15.193 13 H MET 3 H MET 3 -18.068 6.277 -16.210 14 HA MET 3 HA MET 3 -18.519 3.282 -15.899 15 1HB MET 3 1HB MET 3 -15.724 4.206 -16.674 16 2HB MET 3 2HB MET 3 -16.417 2.596 -16.739 17 1HG MET 3 1HG MET 3 -17.612 3.046 -18.779 18 2HG MET 3 2HG MET 3 -17.540 4.798 -18.551 19 1HE MET 3 1HE MET 3 -15.175 3.099 -21.638 20 2HE MET 3 2HE MET 3 -16.896 3.180 -21.160 21 3HE MET 3 3HE MET 3 -15.864 1.854 -20.550 22 H THR 4 H THR 4 -16.439 2.525 -14.508 23 HA THR 4 HA THR 4 -16.708 3.463 -11.848 24 HB THR 4 HB THR 4 -14.063 2.294 -12.724 25 HG1 THR 4 HG1 THR 4 -16.617 1.123 -12.656 26 1HG2 THR 4 1HG2 THR 4 -14.682 2.765 -10.174 27 2HG2 THR 4 2HG2 THR 4 -13.941 1.214 -10.628 28 3HG2 THR 4 3HG2 THR 4 -15.696 1.314 -10.333 29 H ASP 5 H ASP 5 -16.157 5.231 -10.816 30 HA ASP 5 HA ASP 5 -14.312 7.306 -12.000 31 1HB ASP 5 1HB ASP 5 -15.013 8.466 -9.646 32 2HB ASP 5 2HB ASP 5 -16.326 7.314 -9.735 33 H GLN 6 H GLN 6 -12.934 5.027 -11.472 34 HA GLN 6 HA GLN 6 -11.652 5.058 -8.731 35 1HB GLN 6 1HB GLN 6 -10.797 2.970 -9.197 36 2HB GLN 6 2HB GLN 6 -12.231 2.951 -10.206 37 1HG GLN 6 1HG GLN 6 -9.379 3.542 -11.206 38 2HG GLN 6 2HG GLN 6 -10.803 3.586 -12.222 39 1HE2 GLN 6 1HE2 GLN 6 -8.953 0.038 -11.641 40 2HE2 GLN 6 2HE2 GLN 6 -8.319 1.631 -10.987 41 H GLN 7 H GLN 7 -10.721 5.523 -12.147 42 HA GLN 7 HA GLN 7 -7.944 6.442 -11.640 43 1HB GLN 7 1HB GLN 7 -9.359 7.338 -14.170 44 2HB GLN 7 2HB GLN 7 -7.719 6.756 -13.924 45 1HG GLN 7 1HG GLN 7 -8.235 4.600 -14.409 46 2HG GLN 7 2HG GLN 7 -9.657 4.580 -13.377 47 1HE2 GLN 7 1HE2 GLN 7 -10.582 4.294 -17.115 48 2HE2 GLN 7 2HE2 GLN 7 -9.371 3.440 -16.032 49 H ALA 8 H ALA 8 -11.110 7.970 -11.893 50 HA ALA 8 HA ALA 8 -10.343 10.766 -12.156 51 1HB ALA 8 1HB ALA 8 -12.634 11.284 -11.328 52 2HB ALA 8 2HB ALA 8 -12.662 9.988 -12.539 53 3HB ALA 8 3HB ALA 8 -12.864 9.596 -10.812 54 H GLU 9 H GLU 9 -10.670 8.628 -9.358 55 HA GLU 9 HA GLU 9 -10.489 10.688 -7.245 56 1HB GLU 9 1HB GLU 9 -10.175 7.634 -7.155 57 2HB GLU 9 2HB GLU 9 -9.858 8.635 -5.744 58 1HG GLU 9 1HG GLU 9 -12.530 8.097 -7.102 59 2HG GLU 9 2HG GLU 9 -12.334 9.637 -6.274 60 H ALA 10 H ALA 10 -8.148 8.298 -8.513 61 HA ALA 10 HA ALA 10 -5.841 9.138 -6.895 62 1HB ALA 10 1HB ALA 10 -4.495 7.752 -8.465 63 2HB ALA 10 2HB ALA 10 -5.958 6.896 -7.942 64 3HB ALA 10 3HB ALA 10 -5.879 7.607 -9.574 65 NH1 ARG 11 NH1 ARG 11 -7.519 14.139 -16.915 66 NH2 ARG 11 NH2 ARG 11 -8.294 16.089 -16.046 67 H ARG 11 H ARG 11 -7.235 10.230 -9.918 68 HA ARG 11 HA ARG 11 -4.883 11.730 -10.977 69 1HB ARG 11 1HB ARG 11 -6.317 11.139 -12.723 70 2HB ARG 11 2HB ARG 11 -7.773 11.375 -11.768 71 1HG ARG 11 1HG ARG 11 -7.894 13.690 -12.154 72 2HG ARG 11 2HG ARG 11 -6.162 13.867 -12.449 73 1HD ARG 11 1HD ARG 11 -6.293 13.121 -14.688 74 2HD ARG 11 2HD ARG 11 -7.732 12.137 -14.417 75 HE ARG 11 HE ARG 11 -8.872 14.606 -14.099 76 1HH1 ARG 11 1HH1 ARG 11 -8.661 16.588 -15.229 77 2HH1 ARG 11 2HH1 ARG 11 -8.167 16.467 -16.991 78 1HH2 ARG 11 1HH2 ARG 11 -7.199 13.180 -16.742 79 2HH2 ARG 11 2HH2 ARG 11 -7.534 14.628 -17.818 80 H ALA 12 H ALA 12 -7.810 12.492 -9.125 81 HA ALA 12 HA ALA 12 -7.483 15.451 -9.161 82 1HB ALA 12 1HB ALA 12 -9.363 15.470 -7.533 83 2HB ALA 12 2HB ALA 12 -9.727 14.432 -8.926 84 3HB ALA 12 3HB ALA 12 -9.277 13.700 -7.365 85 H PHE 13 H PHE 13 -6.539 12.787 -7.056 86 HA PHE 13 HA PHE 13 -5.727 14.418 -4.723 87 1HB PHE 13 1HB PHE 13 -6.466 11.955 -4.725 88 2HB PHE 13 2HB PHE 13 -4.894 11.526 -5.346 89 HD1 PHE 13 HD1 PHE 13 -4.269 10.194 -3.362 90 HD2 PHE 13 HD2 PHE 13 -5.383 14.322 -2.870 91 HE1 PHE 13 HE1 PHE 13 -3.450 10.150 -1.041 92 HE2 PHE 13 HE2 PHE 13 -4.554 14.260 -0.555 93 HZ PHE 13 HZ PHE 13 -3.591 12.179 0.365 94 H LEU 14 H LEU 14 -4.093 12.898 -7.484 95 HA LEU 14 HA LEU 14 -1.361 13.994 -6.657 96 1HB LEU 14 1HB LEU 14 -0.346 12.447 -8.165 97 2HB LEU 14 2HB LEU 14 -1.822 12.175 -9.066 98 HG LEU 14 HG LEU 14 -2.705 11.123 -6.739 99 1HD1 LEU 14 1HD1 LEU 14 0.332 10.658 -6.476 100 2HD1 LEU 14 2HD1 LEU 14 -0.595 11.786 -5.470 101 3HD1 LEU 14 3HD1 LEU 14 -0.944 10.040 -5.396 102 1HD2 LEU 14 1HD2 LEU 14 -2.088 8.881 -7.541 103 2HD2 LEU 14 2HD2 LEU 14 -2.388 9.891 -8.977 104 3HD2 LEU 14 3HD2 LEU 14 -0.725 9.528 -8.490 105 H SER 15 H SER 15 -1.004 15.955 -7.338 106 HA SER 15 HA SER 15 -2.329 17.369 -9.530 107 1HB SER 15 1HB SER 15 -1.005 19.222 -8.987 108 2HB SER 15 2HB SER 15 0.402 18.255 -8.536 109 HG SER 15 HG SER 15 -2.008 18.669 -7.135 110 H GLU 16 H GLU 16 -0.834 18.472 -11.247 111 HA GLU 16 HA GLU 16 0.016 16.413 -13.166 112 1HB GLU 16 1HB GLU 16 0.564 19.414 -13.408 113 2HB GLU 16 2HB GLU 16 -1.018 18.714 -13.687 114 1HG GLU 16 1HG GLU 16 0.519 17.119 -15.377 115 2HG GLU 16 2HG GLU 16 -0.353 18.560 -15.871 116 H GLU 17 H GLU 17 1.664 18.544 -10.914 117 HA GLU 17 HA GLU 17 4.420 18.111 -11.999 118 1HB GLU 17 1HB GLU 17 4.230 19.144 -9.205 119 2HB GLU 17 2HB GLU 17 3.313 20.075 -10.373 120 1HG GLU 17 1HG GLU 17 5.829 20.720 -9.856 121 2HG GLU 17 2HG GLU 17 6.262 19.371 -10.892 122 H MET 18 H MET 18 2.400 16.847 -9.391 123 HA MET 18 HA MET 18 4.402 15.204 -8.001 124 1HB MET 18 1HB MET 18 1.953 13.875 -7.567 125 2HB MET 18 2HB MET 18 1.450 15.527 -7.877 126 1HG MET 18 1HG MET 18 3.339 14.566 -5.648 127 2HG MET 18 2HG MET 18 1.745 15.321 -5.481 128 1HE MET 18 1HE MET 18 1.276 17.870 -6.702 129 2HE MET 18 2HE MET 18 2.629 18.928 -7.199 130 3HE MET 18 3HE MET 18 2.267 17.447 -8.133 131 H ILE 19 H ILE 19 2.322 14.716 -10.797 132 HA ILE 19 HA ILE 19 2.493 11.812 -11.050 133 HB ILE 19 HB ILE 19 1.660 14.038 -12.890 134 1HG1 ILE 19 1HG1 ILE 19 -0.452 12.914 -12.940 135 2HG1 ILE 19 2HG1 ILE 19 0.236 11.353 -12.545 136 1HG2 ILE 19 1HG2 ILE 19 1.428 12.540 -14.887 137 2HG2 ILE 19 2HG2 ILE 19 3.127 12.705 -14.445 138 3HG2 ILE 19 3HG2 ILE 19 2.249 11.218 -14.020 139 1HD1 ILE 19 1HD1 ILE 19 -0.106 13.651 -10.528 140 2HD1 ILE 19 2HD1 ILE 19 -1.025 12.134 -10.616 141 3HD1 ILE 19 3HD1 ILE 19 0.699 12.098 -10.174 142 H ALA 20 H ALA 20 4.534 14.490 -12.130 143 HA ALA 20 HA ALA 20 6.296 13.231 -14.000 144 1HB ALA 20 1HB ALA 20 7.949 15.009 -13.432 145 2HB ALA 20 2HB ALA 20 6.310 15.672 -13.582 146 3HB ALA 20 3HB ALA 20 7.031 15.438 -11.970 147 H GLU 21 H GLU 21 6.220 13.022 -10.493 148 HA GLU 21 HA GLU 21 8.811 11.844 -9.931 149 1HB GLU 21 1HB GLU 21 6.142 11.633 -8.463 150 2HB GLU 21 2HB GLU 21 7.566 10.788 -7.890 151 1HG GLU 21 1HG GLU 21 7.669 13.816 -8.409 152 2HG GLU 21 2HG GLU 21 6.951 13.191 -6.934 153 H PHE 22 H PHE 22 5.642 10.294 -10.534 154 HA PHE 22 HA PHE 22 6.936 7.591 -11.001 155 1HB PHE 22 1HB PHE 22 3.926 8.196 -11.140 156 2HB PHE 22 2HB PHE 22 4.702 6.644 -10.976 157 HD1 PHE 22 HD1 PHE 22 5.744 5.917 -8.793 158 HD2 PHE 22 HD2 PHE 22 3.668 9.674 -9.119 159 HE1 PHE 22 HE1 PHE 22 5.438 5.971 -6.355 160 HE2 PHE 22 HE2 PHE 22 3.372 9.709 -6.676 161 HZ PHE 22 HZ PHE 22 4.215 7.840 -5.295 162 H LYS 23 H LYS 23 7.123 10.016 -12.846 163 HA LYS 23 HA LYS 23 5.850 9.048 -15.430 164 1HB LYS 23 1HB LYS 23 6.502 11.610 -14.552 165 2HB LYS 23 2HB LYS 23 7.901 11.245 -15.537 166 1HG LYS 23 1HG LYS 23 6.576 12.207 -17.162 167 2HG LYS 23 2HG LYS 23 6.099 10.531 -17.372 168 1HD LYS 23 1HD LYS 23 3.977 11.448 -17.299 169 2HD LYS 23 2HD LYS 23 4.177 11.150 -15.569 170 1HE LYS 23 1HE LYS 23 3.324 13.531 -16.302 171 2HE LYS 23 2HE LYS 23 4.586 13.463 -15.063 172 1HZ LYS 23 1HZ LYS 23 5.458 13.616 -17.865 173 2HZ LYS 23 2HZ LYS 23 6.145 14.271 -16.512 174 3HZ LYS 23 3HZ LYS 23 4.813 14.978 -17.188 175 H ALA 24 H ALA 24 9.079 9.552 -13.993 176 HA ALA 24 HA ALA 24 10.641 8.489 -16.268 177 1HB ALA 24 1HB ALA 24 12.574 8.560 -14.705 178 2HB ALA 24 2HB ALA 24 11.647 10.071 -14.651 179 3HB ALA 24 3HB ALA 24 11.491 8.885 -13.331 180 H ALA 25 H ALA 25 9.996 7.188 -12.990 181 HA ALA 25 HA ALA 25 11.198 4.580 -13.314 182 1HB ALA 25 1HB ALA 25 9.919 3.917 -11.286 183 2HB ALA 25 2HB ALA 25 10.643 5.524 -11.092 184 3HB ALA 25 3HB ALA 25 8.897 5.368 -11.416 185 H PHE 26 H PHE 26 8.008 5.792 -14.142 186 HA PHE 26 HA PHE 26 6.412 3.465 -14.546 187 1HB PHE 26 1HB PHE 26 5.484 5.710 -14.942 188 2HB PHE 26 2HB PHE 26 6.486 5.958 -16.346 189 HD1 PHE 26 HD1 PHE 26 5.993 4.600 -18.481 190 HD2 PHE 26 HD2 PHE 26 3.432 4.357 -15.033 191 HE1 PHE 26 HE1 PHE 26 4.199 3.641 -19.868 192 HE2 PHE 26 HE2 PHE 26 1.647 3.406 -16.438 193 HZ PHE 26 HZ PHE 26 2.033 3.028 -18.848 194 H ASP 27 H ASP 27 8.552 4.982 -16.989 195 HA ASP 27 HA ASP 27 8.238 2.929 -19.048 196 1HB ASP 27 1HB ASP 27 10.761 4.638 -18.894 197 2HB ASP 27 2HB ASP 27 9.959 3.983 -20.303 198 H MET 28 H MET 28 10.437 3.319 -16.330 199 HA MET 28 HA MET 28 12.506 1.365 -17.027 200 1HB MET 28 1HB MET 28 12.459 3.111 -15.024 201 2HB MET 28 2HB MET 28 11.687 1.816 -14.126 202 1HG MET 28 1HG MET 28 13.691 0.300 -14.639 203 2HG MET 28 2HG MET 28 14.482 1.681 -15.417 204 1HE MET 28 1HE MET 28 12.727 0.467 -12.020 205 2HE MET 28 2HE MET 28 13.096 1.850 -10.947 206 3HE MET 28 3HE MET 28 11.985 2.068 -12.332 207 H PHE 29 H PHE 29 9.319 1.110 -15.543 208 HA PHE 29 HA PHE 29 9.562 -1.710 -14.633 209 1HB PHE 29 1HB PHE 29 7.966 0.049 -13.639 210 2HB PHE 29 2HB PHE 29 6.966 -0.117 -15.057 211 HD1 PHE 29 HD1 PHE 29 4.988 -1.254 -14.433 212 HD2 PHE 29 HD2 PHE 29 8.742 -2.777 -12.977 213 HE1 PHE 29 HE1 PHE 29 3.819 -3.123 -13.337 214 HE2 PHE 29 HE2 PHE 29 7.552 -4.632 -11.883 215 HZ PHE 29 HZ PHE 29 5.095 -4.807 -12.056 216 H ASP 30 H ASP 30 8.183 -0.010 -17.428 217 HA ASP 30 HA ASP 30 7.154 -2.407 -18.837 218 1HB ASP 30 1HB ASP 30 6.554 0.180 -19.195 219 2HB ASP 30 2HB ASP 30 7.872 0.135 -20.344 220 H ALA 31 H ALA 31 8.045 -3.423 -20.645 221 HA ALA 31 HA ALA 31 11.103 -3.467 -20.729 222 1HB ALA 31 1HB ALA 31 10.865 -5.778 -21.647 223 2HB ALA 31 2HB ALA 31 10.054 -5.606 -20.078 224 3HB ALA 31 3HB ALA 31 9.091 -5.653 -21.577 225 H ASP 32 H ASP 32 8.171 -3.255 -22.694 226 HA ASP 32 HA ASP 32 9.675 -3.044 -25.315 227 1HB ASP 32 1HB ASP 32 7.337 -4.270 -24.919 228 2HB ASP 32 2HB ASP 32 7.744 -3.500 -26.435 229 H GLY 33 H GLY 33 7.406 -1.096 -23.347 230 1HA GLY 33 1HA GLY 33 7.577 1.318 -22.819 231 2HA GLY 33 2HA GLY 33 8.918 1.428 -23.937 232 H GLY 34 H GLY 34 5.737 2.203 -23.406 233 1HA GLY 34 1HA GLY 34 4.288 2.110 -25.883 234 2HA GLY 34 2HA GLY 34 5.382 3.486 -26.076 235 H GLY 35 H GLY 35 3.076 2.123 -23.726 236 1HA GLY 35 1HA GLY 35 2.627 4.482 -22.081 237 2HA GLY 35 2HA GLY 35 1.468 4.579 -23.414 238 H ASP 36 H ASP 36 2.715 1.665 -21.822 239 HA ASP 36 HA ASP 36 0.577 0.972 -20.030 240 1HB ASP 36 1HB ASP 36 -1.211 0.807 -21.429 241 2HB ASP 36 2HB ASP 36 -0.583 -0.806 -21.672 242 H ILE 37 H ILE 37 1.181 -0.768 -18.950 243 HA ILE 37 HA ILE 37 3.530 -2.425 -19.910 244 HB ILE 37 HB ILE 37 2.468 -3.180 -17.266 245 1HG1 ILE 37 1HG1 ILE 37 2.650 -0.300 -17.693 246 2HG1 ILE 37 2HG1 ILE 37 2.196 -1.187 -16.251 247 1HG2 ILE 37 1HG2 ILE 37 4.854 -3.220 -16.653 248 2HG2 ILE 37 2HG2 ILE 37 4.627 -4.005 -18.222 249 3HG2 ILE 37 3HG2 ILE 37 5.301 -2.359 -18.146 250 1HD1 ILE 37 1HD1 ILE 37 5.083 -0.403 -16.975 251 2HD1 ILE 37 2HD1 ILE 37 4.061 0.283 -15.693 252 3HD1 ILE 37 3HD1 ILE 37 4.624 -1.400 -15.568 253 H SER 38 H SER 38 2.978 -4.775 -18.463 254 HA SER 38 HA SER 38 0.340 -5.914 -19.283 255 1HB SER 38 1HB SER 38 0.851 -7.187 -21.117 256 2HB SER 38 2HB SER 38 1.999 -5.875 -21.397 257 HG SER 38 HG SER 38 2.898 -7.971 -21.537 258 H THR 39 H THR 39 1.027 -8.587 -19.278 259 HA THR 39 HA THR 39 1.516 -9.117 -16.376 260 HB THR 39 HB THR 39 1.392 -11.642 -17.422 261 HG1 THR 39 HG1 THR 39 -0.278 -10.062 -19.061 262 1HG2 THR 39 1HG2 THR 39 -0.992 -11.712 -16.838 263 2HG2 THR 39 2HG2 THR 39 -0.139 -10.724 -15.630 264 3HG2 THR 39 3HG2 THR 39 -1.122 -9.939 -16.894 265 H LYS 40 H LYS 40 2.939 -10.641 -19.294 266 HA LYS 40 HA LYS 40 5.296 -11.738 -18.171 267 1HB LYS 40 1HB LYS 40 5.767 -12.361 -20.245 268 2HB LYS 40 2HB LYS 40 6.011 -10.737 -20.828 269 1HG LYS 40 1HG LYS 40 3.455 -10.624 -21.207 270 2HG LYS 40 2HG LYS 40 4.336 -11.753 -22.202 271 1HD LYS 40 1HD LYS 40 3.117 -12.973 -19.705 272 2HD LYS 40 2HD LYS 40 2.004 -12.265 -20.839 273 1HE LYS 40 1HE LYS 40 4.043 -14.364 -21.725 274 2HE LYS 40 2HE LYS 40 2.415 -14.769 -21.197 275 1HZ LYS 40 1HZ LYS 40 2.839 -14.463 -23.677 276 2HZ LYS 40 2HZ LYS 40 2.890 -12.834 -23.408 277 3HZ LYS 40 3HZ LYS 40 1.512 -13.683 -23.078 278 H GLU 41 H GLU 41 4.819 -8.461 -19.510 279 HA GLU 41 HA GLU 41 7.558 -7.465 -19.193 280 1HB GLU 41 1HB GLU 41 6.833 -5.381 -19.877 281 2HB GLU 41 2HB GLU 41 5.286 -5.498 -19.066 282 1HG GLU 41 1HG GLU 41 5.901 -7.207 -21.548 283 2HG GLU 41 2HG GLU 41 4.341 -6.892 -20.820 284 H LEU 42 H LEU 42 4.697 -7.449 -17.111 285 HA LEU 42 HA LEU 42 5.640 -5.675 -14.985 286 1HB LEU 42 1HB LEU 42 3.428 -7.684 -15.286 287 2HB LEU 42 2HB LEU 42 3.980 -7.471 -13.639 288 HG LEU 42 HG LEU 42 3.219 -5.248 -13.481 289 1HD1 LEU 42 1HD1 LEU 42 1.235 -6.395 -15.542 290 2HD1 LEU 42 2HD1 LEU 42 1.302 -6.910 -13.850 291 3HD1 LEU 42 3HD1 LEU 42 0.888 -5.223 -14.245 292 1HD2 LEU 42 1HD2 LEU 42 2.810 -3.675 -15.340 293 2HD2 LEU 42 2HD2 LEU 42 4.427 -4.384 -15.566 294 3HD2 LEU 42 3HD2 LEU 42 3.070 -4.956 -16.552 295 H GLY 43 H GLY 43 6.069 -9.107 -15.654 296 1HA GLY 43 1HA GLY 43 7.251 -10.884 -14.488 297 2HA GLY 43 2HA GLY 43 7.220 -9.872 -13.040 298 H THR 44 H THR 44 8.526 -8.620 -16.029 299 HA THR 44 HA THR 44 11.254 -9.518 -15.934 300 HB THR 44 HB THR 44 10.223 -6.865 -17.059 301 HG1 THR 44 HG1 THR 44 10.730 -9.412 -18.175 302 1HG2 THR 44 1HG2 THR 44 12.253 -6.862 -18.519 303 2HG2 THR 44 2HG2 THR 44 12.693 -6.684 -16.807 304 3HG2 THR 44 3HG2 THR 44 12.915 -8.253 -17.624 305 H VAL 45 H VAL 45 10.041 -6.329 -14.851 306 HA VAL 45 HA VAL 45 12.539 -5.487 -13.558 307 HB VAL 45 HB VAL 45 9.820 -4.339 -13.851 308 1HG1 VAL 45 1HG1 VAL 45 9.996 -2.693 -11.984 309 2HG1 VAL 45 2HG1 VAL 45 9.863 -4.335 -11.345 310 3HG1 VAL 45 3HG1 VAL 45 11.443 -3.522 -11.353 311 1HG2 VAL 45 1HG2 VAL 45 12.605 -3.006 -13.692 312 2HG2 VAL 45 2HG2 VAL 45 11.760 -3.473 -15.186 313 3HG2 VAL 45 3HG2 VAL 45 11.084 -2.201 -14.158 314 H MET 46 H MET 46 9.594 -7.108 -12.459 315 HA MET 46 HA MET 46 9.934 -7.003 -9.565 316 1HB MET 46 1HB MET 46 8.656 -9.359 -9.722 317 2HB MET 46 2HB MET 46 8.456 -8.917 -11.408 318 1HG MET 46 1HG MET 46 7.705 -6.652 -9.629 319 2HG MET 46 2HG MET 46 6.795 -7.411 -10.946 320 1HE MET 46 1HE MET 46 6.898 -10.569 -10.005 321 2HE MET 46 2HE MET 46 5.354 -10.688 -9.111 322 3HE MET 46 3HE MET 46 5.416 -9.811 -10.667 323 NH1 ARG 47 NH1 ARG 47 17.845 -9.963 -14.143 324 NH2 ARG 47 NH2 ARG 47 16.556 -9.456 -15.945 325 H ARG 47 H ARG 47 11.391 -8.984 -12.074 326 HA ARG 47 HA ARG 47 12.405 -11.278 -10.747 327 1HB ARG 47 1HB ARG 47 14.139 -9.717 -12.737 328 2HB ARG 47 2HB ARG 47 12.679 -10.566 -13.229 329 1HG ARG 47 1HG ARG 47 13.693 -12.600 -13.216 330 2HG ARG 47 2HG ARG 47 14.329 -12.366 -11.587 331 1HD ARG 47 1HD ARG 47 16.354 -11.261 -12.393 332 2HD ARG 47 2HD ARG 47 16.120 -12.699 -13.375 333 HE ARG 47 HE ARG 47 14.879 -10.910 -15.035 334 1HH1 ARG 47 1HH1 ARG 47 17.937 -10.486 -13.265 335 2HH1 ARG 47 2HH1 ARG 47 18.540 -9.334 -14.560 336 1HH2 ARG 47 1HH2 ARG 47 15.668 -9.589 -16.443 337 2HH2 ARG 47 2HH2 ARG 47 17.341 -8.863 -16.236 338 H MET 48 H MET 48 13.734 -7.986 -10.766 339 HA MET 48 HA MET 48 16.234 -8.236 -9.435 340 1HB MET 48 1HB MET 48 15.535 -5.932 -8.276 341 2HB MET 48 2HB MET 48 14.128 -6.038 -9.318 342 1HG MET 48 1HG MET 48 17.057 -5.934 -10.263 343 2HG MET 48 2HG MET 48 15.824 -4.660 -10.419 344 1HE MET 48 1HE MET 48 16.187 -4.349 -13.035 345 2HE MET 48 2HE MET 48 14.921 -5.169 -13.995 346 3HE MET 48 3HE MET 48 14.475 -4.267 -12.517 347 H LEU 49 H LEU 49 13.447 -7.095 -7.546 348 HA LEU 49 HA LEU 49 14.351 -8.553 -5.060 349 1HB LEU 49 1HB LEU 49 13.523 -6.454 -4.465 350 2HB LEU 49 2HB LEU 49 12.180 -7.512 -4.089 351 HG LEU 49 HG LEU 49 11.463 -6.776 -6.662 352 1HD1 LEU 49 1HD1 LEU 49 12.816 -4.259 -5.505 353 2HD1 LEU 49 2HD1 LEU 49 13.480 -5.227 -6.833 354 3HD1 LEU 49 3HD1 LEU 49 11.925 -4.385 -7.043 355 1HD2 LEU 49 1HD2 LEU 49 9.800 -5.274 -5.649 356 2HD2 LEU 49 2HD2 LEU 49 10.049 -6.624 -4.515 357 3HD2 LEU 49 3HD2 LEU 49 10.797 -5.054 -4.188 358 H GLY 50 H GLY 50 14.183 -10.653 -6.028 359 1HA GLY 50 1HA GLY 50 12.481 -12.650 -5.524 360 2HA GLY 50 2HA GLY 50 11.337 -11.692 -6.482 361 H GLN 51 H GLN 51 14.447 -13.368 -6.624 362 HA GLN 51 HA GLN 51 14.579 -13.245 -9.653 363 1HB GLN 51 1HB GLN 51 16.610 -12.771 -8.206 364 2HB GLN 51 2HB GLN 51 16.835 -13.938 -9.495 365 1HG GLN 51 1HG GLN 51 17.117 -14.288 -6.558 366 2HG GLN 51 2HG GLN 51 16.140 -15.560 -7.259 367 1HE2 GLN 51 1HE2 GLN 51 19.145 -17.272 -8.147 368 2HE2 GLN 51 2HE2 GLN 51 17.531 -17.268 -7.274 369 H ASN 52 H ASN 52 12.399 -14.659 -8.746 370 HA ASN 52 HA ASN 52 12.963 -17.322 -10.031 371 1HB ASN 52 1HB ASN 52 13.076 -17.416 -7.372 372 2HB ASN 52 2HB ASN 52 11.328 -17.400 -7.444 373 1HD2 ASN 52 1HD2 ASN 52 11.907 -21.001 -7.529 374 2HD2 ASN 52 2HD2 ASN 52 11.347 -19.548 -6.558 375 HA PRO 53 HA PRO 53 8.967 -15.188 -11.400 376 1HB PRO 53 1HB PRO 53 9.954 -14.395 -13.364 377 2HB PRO 53 2HB PRO 53 9.127 -15.779 -14.093 378 1HG PRO 53 1HG PRO 53 11.010 -17.158 -14.163 379 2HG PRO 53 2HG PRO 53 11.850 -15.597 -14.316 380 1HD PRO 53 1HD PRO 53 12.629 -15.699 -12.051 381 2HD PRO 53 2HD PRO 53 12.330 -17.453 -12.235 382 H THR 54 H THR 54 7.045 -15.978 -12.704 383 HA THR 54 HA THR 54 6.589 -18.861 -13.225 384 HB THR 54 HB THR 54 6.584 -18.547 -10.586 385 HG1 THR 54 HG1 THR 54 4.908 -20.207 -10.603 386 1HG2 THR 54 1HG2 THR 54 4.325 -18.298 -9.612 387 2HG2 THR 54 2HG2 THR 54 4.789 -16.796 -10.442 388 3HG2 THR 54 3HG2 THR 54 3.631 -17.915 -11.206 389 H LYS 55 H LYS 55 4.537 -19.247 -14.115 390 HA LYS 55 HA LYS 55 3.481 -16.878 -15.615 391 1HB LYS 55 1HB LYS 55 1.992 -18.720 -16.740 392 2HB LYS 55 2HB LYS 55 2.894 -19.894 -15.803 393 1HG LYS 55 1HG LYS 55 3.752 -19.732 -18.093 394 2HG LYS 55 2HG LYS 55 4.045 -18.008 -17.941 395 1HD LYS 55 1HD LYS 55 5.846 -18.442 -16.218 396 2HD LYS 55 2HD LYS 55 6.167 -19.249 -17.745 397 1HE LYS 55 1HE LYS 55 6.223 -20.454 -15.218 398 2HE LYS 55 2HE LYS 55 4.660 -20.994 -15.826 399 1HZ LYS 55 1HZ LYS 55 6.685 -22.400 -16.381 400 2HZ LYS 55 2HZ LYS 55 7.138 -21.235 -17.462 401 3HZ LYS 55 3HZ LYS 55 5.708 -22.038 -17.663 402 H GLU 56 H GLU 56 2.456 -19.087 -13.072 403 HA GLU 56 HA GLU 56 -0.413 -18.422 -13.070 404 1HB GLU 56 1HB GLU 56 -0.194 -19.454 -10.615 405 2HB GLU 56 2HB GLU 56 1.407 -19.923 -11.155 406 1HG GLU 56 1HG GLU 56 -0.101 -20.853 -13.299 407 2HG GLU 56 2HG GLU 56 -1.304 -20.951 -12.024 408 H GLU 57 H GLU 57 2.447 -17.139 -11.465 409 HA GLU 57 HA GLU 57 1.012 -15.506 -9.422 410 1HB GLU 57 1HB GLU 57 3.338 -16.440 -9.104 411 2HB GLU 57 2HB GLU 57 3.070 -14.779 -8.620 412 1HG GLU 57 1HG GLU 57 4.508 -15.651 -11.217 413 2HG GLU 57 2HG GLU 57 4.225 -13.976 -10.759 414 H LEU 58 H LEU 58 2.336 -15.023 -12.650 415 HA LEU 58 HA LEU 58 2.213 -12.065 -12.636 416 1HB LEU 58 1HB LEU 58 3.058 -14.213 -14.522 417 2HB LEU 58 2HB LEU 58 2.329 -12.841 -15.332 418 HG LEU 58 HG LEU 58 4.723 -12.477 -15.265 419 1HD1 LEU 58 1HD1 LEU 58 5.006 -10.359 -13.917 420 2HD1 LEU 58 2HD1 LEU 58 3.477 -10.353 -14.808 421 3HD1 LEU 58 3HD1 LEU 58 3.479 -10.691 -13.060 422 1HD2 LEU 58 1HD2 LEU 58 4.652 -12.965 -12.215 423 2HD2 LEU 58 2HD2 LEU 58 5.291 -14.088 -13.442 424 3HD2 LEU 58 3HD2 LEU 58 6.089 -12.527 -13.175 425 H ASP 59 H ASP 59 0.217 -14.703 -13.931 426 HA ASP 59 HA ASP 59 -1.796 -12.992 -15.271 427 1HB ASP 59 1HB ASP 59 -1.318 -15.374 -15.971 428 2HB ASP 59 2HB ASP 59 -2.063 -15.950 -14.498 429 H ALA 60 H ALA 60 -1.456 -14.515 -12.110 430 HA ALA 60 HA ALA 60 -4.143 -13.794 -11.039 431 1HB ALA 60 1HB ALA 60 -3.202 -14.481 -8.838 432 2HB ALA 60 2HB ALA 60 -2.876 -15.697 -10.088 433 3HB ALA 60 3HB ALA 60 -1.572 -14.614 -9.540 434 H ILE 61 H ILE 61 -0.988 -12.287 -11.295 435 HA ILE 61 HA ILE 61 -1.272 -10.223 -9.216 436 HB ILE 61 HB ILE 61 0.713 -10.844 -11.339 437 1HG1 ILE 61 1HG1 ILE 61 0.624 -10.717 -8.462 438 2HG1 ILE 61 2HG1 ILE 61 1.947 -11.243 -9.482 439 1HG2 ILE 61 1HG2 ILE 61 1.813 -8.587 -11.361 440 2HG2 ILE 61 2HG2 ILE 61 0.205 -8.499 -12.076 441 3HG2 ILE 61 3HG2 ILE 61 0.465 -7.900 -10.422 442 1HD1 ILE 61 1HD1 ILE 61 1.572 -8.353 -8.495 443 2HD1 ILE 61 2HD1 ILE 61 2.790 -9.534 -7.968 444 3HD1 ILE 61 3HD1 ILE 61 2.847 -8.888 -9.624 445 H ILE 62 H ILE 62 -2.042 -10.445 -12.658 446 HA ILE 62 HA ILE 62 -2.884 -7.580 -12.928 447 HB ILE 62 HB ILE 62 -2.809 -9.935 -14.847 448 1HG1 ILE 62 1HG1 ILE 62 -0.683 -8.798 -14.715 449 2HG1 ILE 62 2HG1 ILE 62 -1.415 -7.208 -14.668 450 1HG2 ILE 62 1HG2 ILE 62 -3.839 -8.539 -16.663 451 2HG2 ILE 62 2HG2 ILE 62 -4.999 -8.803 -15.363 452 3HG2 ILE 62 3HG2 ILE 62 -4.173 -7.234 -15.498 453 1HD1 ILE 62 1HD1 ILE 62 -2.051 -7.298 -17.063 454 2HD1 ILE 62 2HD1 ILE 62 -0.321 -7.643 -16.861 455 3HD1 ILE 62 3HD1 ILE 62 -1.454 -8.976 -17.183 456 H GLU 63 H GLU 63 -4.343 -10.774 -12.529 457 HA GLU 63 HA GLU 63 -7.166 -10.122 -12.925 458 1HB GLU 63 1HB GLU 63 -6.440 -12.441 -12.879 459 2HB GLU 63 2HB GLU 63 -5.859 -12.312 -11.230 460 1HG GLU 63 1HG GLU 63 -8.054 -12.366 -10.299 461 2HG GLU 63 2HG GLU 63 -8.814 -11.742 -11.753 462 H GLU 64 H GLU 64 -4.933 -9.720 -10.236 463 HA GLU 64 HA GLU 64 -6.627 -9.361 -7.977 464 1HB GLU 64 1HB GLU 64 -3.916 -8.234 -8.700 465 2HB GLU 64 2HB GLU 64 -4.353 -9.401 -7.468 466 1HG GLU 64 1HG GLU 64 -5.559 -6.725 -6.924 467 2HG GLU 64 2HG GLU 64 -3.816 -6.630 -7.109 468 H VAL 65 H VAL 65 -5.601 -6.913 -10.365 469 HA VAL 65 HA VAL 65 -8.012 -5.172 -9.643 470 HB VAL 65 HB VAL 65 -6.553 -3.866 -8.513 471 1HG1 VAL 65 1HG1 VAL 65 -4.092 -3.632 -8.889 472 2HG1 VAL 65 2HG1 VAL 65 -4.547 -5.340 -8.740 473 3HG1 VAL 65 3HG1 VAL 65 -4.188 -4.656 -10.344 474 1HG2 VAL 65 1HG2 VAL 65 -5.922 -2.829 -11.362 475 2HG2 VAL 65 2HG2 VAL 65 -7.315 -2.362 -10.357 476 3HG2 VAL 65 3HG2 VAL 65 -5.678 -1.926 -9.847 477 H ASP 66 H ASP 66 -9.199 -5.245 -11.417 478 HA ASP 66 HA ASP 66 -8.233 -4.289 -14.050 479 1HB ASP 66 1HB ASP 66 -9.280 -7.076 -14.450 480 2HB ASP 66 2HB ASP 66 -7.687 -6.981 -13.734 481 H GLU 67 H GLU 67 -10.087 -3.407 -12.284 482 HA GLU 67 HA GLU 67 -12.834 -4.203 -12.434 483 1HB GLU 67 1HB GLU 67 -11.550 -1.484 -12.066 484 2HB GLU 67 2HB GLU 67 -13.278 -1.551 -12.352 485 1HG GLU 67 1HG GLU 67 -13.312 -3.317 -10.347 486 2HG GLU 67 2HG GLU 67 -13.220 -1.597 -10.013 487 H ASP 68 H ASP 68 -10.835 -2.501 -14.780 488 HA ASP 68 HA ASP 68 -13.084 -1.921 -16.691 489 1HB ASP 68 1HB ASP 68 -10.884 -1.385 -18.221 490 2HB ASP 68 2HB ASP 68 -11.668 -0.237 -17.160 491 H GLY 69 H GLY 69 -10.334 -4.153 -16.394 492 1HA GLY 69 1HA GLY 69 -10.213 -6.491 -17.169 493 2HA GLY 69 2HA GLY 69 -11.764 -6.266 -17.990 494 H SER 70 H SER 70 -8.638 -4.555 -18.195 495 HA SER 70 HA SER 70 -8.772 -4.560 -21.233 496 1HB SER 70 1HB SER 70 -8.315 -2.385 -20.601 497 2HB SER 70 2HB SER 70 -6.674 -2.981 -20.863 498 HG SER 70 HG SER 70 -7.750 -2.002 -18.669 499 H GLY 71 H GLY 71 -6.892 -5.777 -18.509 500 1HA GLY 71 1HA GLY 71 -5.514 -7.866 -20.184 501 2HA GLY 71 2HA GLY 71 -5.379 -7.693 -18.429 502 H THR 72 H THR 72 -4.761 -4.850 -18.525 503 HA THR 72 HA THR 72 -1.794 -5.024 -18.866 504 HB THR 72 HB THR 72 -1.528 -3.093 -20.388 505 HG1 THR 72 HG1 THR 72 -3.623 -2.876 -21.711 506 1HG2 THR 72 1HG2 THR 72 -2.059 -4.144 -22.550 507 2HG2 THR 72 2HG2 THR 72 -1.422 -5.385 -21.449 508 3HG2 THR 72 3HG2 THR 72 -3.171 -5.305 -21.791 509 H ILE 73 H ILE 73 -0.730 -3.453 -17.703 510 HA ILE 73 HA ILE 73 -2.407 -1.912 -15.680 511 HB ILE 73 HB ILE 73 0.531 -2.747 -15.660 512 1HG1 ILE 73 1HG1 ILE 73 -0.023 -4.148 -13.772 513 2HG1 ILE 73 2HG1 ILE 73 -1.563 -3.358 -13.503 514 1HG2 ILE 73 1HG2 ILE 73 0.839 -1.572 -13.485 515 2HG2 ILE 73 2HG2 ILE 73 0.371 -0.402 -14.727 516 3HG2 ILE 73 3HG2 ILE 73 -0.827 -0.951 -13.530 517 1HD1 ILE 73 1HD1 ILE 73 -0.979 -5.237 -15.866 518 2HD1 ILE 73 2HD1 ILE 73 -1.986 -5.567 -14.440 519 3HD1 ILE 73 3HD1 ILE 73 -2.507 -4.346 -15.625 520 H ASP 74 H ASP 74 -3.062 -0.444 -17.359 521 HA ASP 74 HA ASP 74 -1.312 1.276 -18.914 522 1HB ASP 74 1HB ASP 74 -3.170 2.501 -19.565 523 2HB ASP 74 2HB ASP 74 -3.913 2.481 -17.982 524 H PHE 75 H PHE 75 -1.556 3.811 -18.491 525 HA PHE 75 HA PHE 75 0.228 4.414 -16.220 526 1HB PHE 75 1HB PHE 75 0.205 5.654 -18.453 527 2HB PHE 75 2HB PHE 75 -1.299 6.408 -18.000 528 HD1 PHE 75 HD1 PHE 75 1.133 8.010 -18.679 529 HD2 PHE 75 HD2 PHE 75 -0.096 6.451 -14.861 530 HE1 PHE 75 HE1 PHE 75 2.313 9.843 -17.538 531 HE2 PHE 75 HE2 PHE 75 1.081 8.301 -13.740 532 HZ PHE 75 HZ PHE 75 2.272 10.005 -15.072 533 H GLU 76 H GLU 76 -3.212 4.929 -16.926 534 HA GLU 76 HA GLU 76 -3.900 6.501 -14.538 535 1HB GLU 76 1HB GLU 76 -5.544 5.028 -16.612 536 2HB GLU 76 2HB GLU 76 -6.316 5.533 -15.125 537 1HG GLU 76 1HG GLU 76 -5.745 7.111 -17.500 538 2HG GLU 76 2HG GLU 76 -6.715 7.526 -16.102 539 H GLU 77 H GLU 77 -3.760 3.066 -15.276 540 HA GLU 77 HA GLU 77 -5.093 2.110 -12.785 541 1HB GLU 77 1HB GLU 77 -5.006 0.849 -15.015 542 2HB GLU 77 2HB GLU 77 -3.343 0.449 -14.653 543 1HG GLU 77 1HG GLU 77 -3.920 -1.226 -13.174 544 2HG GLU 77 2HG GLU 77 -5.156 -0.251 -12.387 545 H PHE 78 H PHE 78 -1.822 2.824 -13.814 546 HA PHE 78 HA PHE 78 -0.364 1.482 -11.652 547 1HB PHE 78 1HB PHE 78 0.509 3.916 -13.331 548 2HB PHE 78 2HB PHE 78 0.692 2.253 -13.826 549 HD1 PHE 78 HD1 PHE 78 1.528 1.228 -10.902 550 HD2 PHE 78 HD2 PHE 78 2.864 4.495 -13.362 551 HE1 PHE 78 HE1 PHE 78 3.743 1.144 -9.830 552 HE2 PHE 78 HE2 PHE 78 5.071 4.398 -12.277 553 HZ PHE 78 HZ PHE 78 5.517 2.721 -10.518 554 H LEU 79 H LEU 79 -1.346 4.884 -12.132 555 HA LEU 79 HA LEU 79 -0.351 5.905 -9.566 556 1HB LEU 79 1HB LEU 79 -2.641 7.161 -11.178 557 2HB LEU 79 2HB LEU 79 -1.583 7.960 -10.035 558 HG LEU 79 HG LEU 79 -0.782 6.887 -12.808 559 1HD1 LEU 79 1HD1 LEU 79 -0.407 9.291 -13.365 560 2HD1 LEU 79 2HD1 LEU 79 -2.087 9.021 -12.865 561 3HD1 LEU 79 3HD1 LEU 79 -0.938 9.780 -11.736 562 1HD2 LEU 79 1HD2 LEU 79 1.037 8.262 -10.717 563 2HD2 LEU 79 2HD2 LEU 79 1.169 6.576 -11.276 564 3HD2 LEU 79 3HD2 LEU 79 1.484 7.903 -12.404 565 H VAL 80 H VAL 80 -3.414 4.519 -10.622 566 HA VAL 80 HA VAL 80 -5.027 5.167 -8.242 567 HB VAL 80 HB VAL 80 -5.735 4.283 -10.680 568 1HG1 VAL 80 1HG1 VAL 80 -6.621 1.942 -10.605 569 2HG1 VAL 80 2HG1 VAL 80 -4.860 1.952 -10.447 570 3HG1 VAL 80 3HG1 VAL 80 -5.871 1.690 -9.008 571 1HG2 VAL 80 1HG2 VAL 80 -7.421 3.662 -8.166 572 2HG2 VAL 80 2HG2 VAL 80 -7.353 5.236 -8.992 573 3HG2 VAL 80 3HG2 VAL 80 -8.032 3.832 -9.830 574 H MET 81 H MET 81 -2.990 2.434 -9.227 575 HA MET 81 HA MET 81 -3.533 0.481 -7.153 576 1HB MET 81 1HB MET 81 -0.672 0.874 -8.124 577 2HB MET 81 2HB MET 81 -1.904 0.392 -9.277 578 1HG MET 81 1HG MET 81 -0.818 -1.184 -6.904 579 2HG MET 81 2HG MET 81 -2.469 -1.517 -7.452 580 1HE MET 81 1HE MET 81 -1.849 -3.991 -8.029 581 2HE MET 81 2HE MET 81 -0.574 -4.481 -9.186 582 3HE MET 81 3HE MET 81 -0.120 -3.791 -7.601 583 H MET 82 H MET 82 -1.062 3.071 -7.232 584 HA MET 82 HA MET 82 -0.069 2.572 -4.489 585 1HB MET 82 1HB MET 82 1.042 4.926 -4.889 586 2HB MET 82 2HB MET 82 0.407 4.809 -6.520 587 1HG MET 82 1HG MET 82 2.621 3.951 -6.720 588 2HG MET 82 2HG MET 82 1.616 2.496 -6.698 589 1HE MET 82 1HE MET 82 3.310 5.059 -4.116 590 2HE MET 82 2HE MET 82 3.549 3.992 -2.700 591 3HE MET 82 3HE MET 82 1.894 4.438 -3.208 592 H VAL 83 H VAL 83 -2.520 4.637 -5.925 593 HA VAL 83 HA VAL 83 -2.796 6.648 -3.814 594 HB VAL 83 HB VAL 83 -3.903 6.335 -6.349 595 1HG1 VAL 83 1HG1 VAL 83 -6.385 6.519 -6.100 596 2HG1 VAL 83 2HG1 VAL 83 -5.816 4.945 -5.524 597 3HG1 VAL 83 3HG1 VAL 83 -6.255 6.207 -4.350 598 1HG2 VAL 83 1HG2 VAL 83 -4.755 8.407 -4.217 599 2HG2 VAL 83 2HG2 VAL 83 -3.353 8.549 -5.303 600 3HG2 VAL 83 3HG2 VAL 83 -4.988 8.560 -5.978 601 NH1 ARG 84 NH1 ARG 84 -8.872 0.122 -6.541 602 NH2 ARG 84 NH2 ARG 84 -10.129 -0.997 -5.015 603 H ARG 84 H ARG 84 -4.157 3.441 -4.355 604 HA ARG 84 HA ARG 84 -6.406 3.319 -2.578 605 1HB ARG 84 1HB ARG 84 -4.590 1.327 -3.817 606 2HB ARG 84 2HB ARG 84 -5.114 0.819 -2.219 607 1HG ARG 84 1HG ARG 84 -7.382 0.666 -2.794 608 2HG ARG 84 2HG ARG 84 -7.275 1.870 -4.081 609 1HD ARG 84 1HD ARG 84 -5.732 -0.748 -4.412 610 2HD ARG 84 2HD ARG 84 -6.355 0.324 -5.669 611 HE ARG 84 HE ARG 84 -7.876 -1.845 -4.269 612 1HH1 ARG 84 1HH1 ARG 84 -7.938 0.426 -6.839 613 2HH1 ARG 84 2HH1 ARG 84 -9.762 0.319 -7.011 614 1HH2 ARG 84 1HH2 ARG 84 -10.154 -1.559 -4.157 615 2HH2 ARG 84 2HH2 ARG 84 -10.933 -0.699 -5.578 616 H GLN 85 H GLN 85 -2.961 2.713 -1.834 617 HA GLN 85 HA GLN 85 -3.441 2.251 1.081 618 1HB GLN 85 1HB GLN 85 -0.790 2.384 1.082 619 2HB GLN 85 2HB GLN 85 -0.946 2.367 -0.664 620 1HG GLN 85 1HG GLN 85 -1.560 0.142 -0.763 621 2HG GLN 85 2HG GLN 85 -2.532 0.207 0.691 622 1HE2 GLN 85 1HE2 GLN 85 1.539 -0.159 1.491 623 2HE2 GLN 85 2HE2 GLN 85 0.933 1.085 0.286 624 H MET 86 H MET 86 -2.214 4.847 -0.988 625 HA MET 86 HA MET 86 -1.054 6.661 0.903 626 1HB MET 86 1HB MET 86 -1.926 6.852 -1.870 627 2HB MET 86 2HB MET 86 -2.494 8.277 -1.019 628 1HG MET 86 1HG MET 86 0.257 7.596 -1.858 629 2HG MET 86 2HG MET 86 0.210 8.009 -0.136 630 1HE MET 86 1HE MET 86 -2.487 9.298 -2.791 631 2HE MET 86 2HE MET 86 -1.724 10.809 -3.366 632 3HE MET 86 3HE MET 86 -1.006 9.229 -3.797 633 H LYS 87 H LYS 87 -4.434 6.051 0.113 634 HA LYS 87 HA LYS 87 -5.793 8.352 1.200 635 1HB LYS 87 1HB LYS 87 -7.786 7.159 1.118 636 2HB LYS 87 2HB LYS 87 -6.804 6.245 -0.017 637 1HG LYS 87 1HG LYS 87 -6.293 4.527 1.732 638 2HG LYS 87 2HG LYS 87 -7.246 5.408 2.916 639 1HD LYS 87 1HD LYS 87 -8.225 3.953 0.389 640 2HD LYS 87 2HD LYS 87 -8.561 3.562 2.072 641 1HE LYS 87 1HE LYS 87 -9.644 6.123 1.989 642 2HE LYS 87 2HE LYS 87 -9.892 5.635 0.307 643 1HZ LYS 87 1HZ LYS 87 -10.776 3.453 1.471 644 2HZ LYS 87 2HZ LYS 87 -11.749 4.775 1.282 645 3HZ LYS 87 3HZ LYS 87 -11.039 4.474 2.743 646 H GLU 88 H GLU 88 -4.945 5.282 2.838 647 HA GLU 88 HA GLU 88 -4.846 4.677 5.170 648 1HB GLU 88 1HB GLU 88 -3.421 7.362 4.998 649 2HB GLU 88 2HB GLU 88 -2.729 5.752 5.043 650 1HG GLU 88 1HG GLU 88 -3.625 7.528 7.304 651 2HG GLU 88 2HG GLU 88 -4.052 5.839 7.517 652 H ASP 89 H ASP 89 -7.298 4.988 4.837 653 HA ASP 89 HA ASP 89 -8.762 7.349 5.714 654 1HB ASP 89 1HB ASP 89 -10.226 4.818 6.243 655 2HB ASP 89 2HB ASP 89 -9.499 4.844 4.652 656 H ALA 90 H ALA 90 -8.950 8.210 7.620 657 HA ALA 90 HA ALA 90 -8.579 6.538 10.171 658 1HB ALA 90 1HB ALA 90 -7.951 8.669 11.335 659 2HB ALA 90 2HB ALA 90 -6.856 8.350 9.975 660 3HB ALA 90 3HB ALA 90 -8.128 9.585 9.817 Start of MODEL 18 Raw file had 660 H/Q atoms Start of MODEL 18 1 1H ALA 1 1H ALA 1 -23.033 2.224 -14.738 2 2H ALA 1 2H ALA 1 -21.810 1.238 -14.138 3 3H ALA 1 3H ALA 1 -21.424 2.676 -14.922 4 HA ALA 1 HA ALA 1 -22.330 0.113 -16.000 5 1HB ALA 1 1HB ALA 1 -23.153 2.857 -17.013 6 2HB ALA 1 2HB ALA 1 -24.050 1.327 -17.041 7 3HB ALA 1 3HB ALA 1 -22.753 1.620 -18.228 8 H SER 2 H SER 2 -20.715 3.210 -16.818 9 HA SER 2 HA SER 2 -18.061 1.768 -17.262 10 1HB SER 2 1HB SER 2 -18.689 1.749 -19.496 11 2HB SER 2 2HB SER 2 -19.649 3.226 -19.386 12 HG SER 2 HG SER 2 -17.634 3.430 -20.482 13 H MET 3 H MET 3 -16.254 3.190 -17.204 14 HA MET 3 HA MET 3 -14.942 5.093 -16.527 15 1HB MET 3 1HB MET 3 -17.139 6.246 -17.714 16 2HB MET 3 2HB MET 3 -17.321 6.891 -16.093 17 1HG MET 3 1HG MET 3 -15.557 8.355 -16.349 18 2HG MET 3 2HG MET 3 -14.512 7.130 -17.081 19 1HE MET 3 1HE MET 3 -18.225 7.905 -18.948 20 2HE MET 3 2HE MET 3 -17.775 9.603 -19.284 21 3HE MET 3 3HE MET 3 -17.832 9.015 -17.597 22 H THR 4 H THR 4 -14.435 3.957 -14.644 23 HA THR 4 HA THR 4 -16.055 4.208 -12.154 24 HB THR 4 HB THR 4 -15.014 2.141 -12.386 25 HG1 THR 4 HG1 THR 4 -14.924 3.428 -10.351 26 1HG2 THR 4 1HG2 THR 4 -12.768 3.277 -13.640 27 2HG2 THR 4 2HG2 THR 4 -12.907 1.591 -13.094 28 3HG2 THR 4 3HG2 THR 4 -12.128 2.808 -12.050 29 H ASP 5 H ASP 5 -15.515 5.364 -10.316 30 HA ASP 5 HA ASP 5 -13.876 7.872 -10.674 31 1HB ASP 5 1HB ASP 5 -16.162 7.963 -9.600 32 2HB ASP 5 2HB ASP 5 -14.879 8.733 -8.694 33 H GLN 6 H GLN 6 -12.285 5.665 -10.815 34 HA GLN 6 HA GLN 6 -10.826 5.254 -8.194 35 1HB GLN 6 1HB GLN 6 -9.155 4.096 -9.996 36 2HB GLN 6 2HB GLN 6 -10.606 4.095 -10.980 37 1HG GLN 6 1HG GLN 6 -11.696 2.501 -9.686 38 2HG GLN 6 2HG GLN 6 -10.996 3.046 -8.178 39 1HE2 GLN 6 1HE2 GLN 6 -8.132 0.912 -10.237 40 2HE2 GLN 6 2HE2 GLN 6 -8.927 2.393 -10.974 41 H GLN 7 H GLN 7 -9.603 6.106 -11.430 42 HA GLN 7 HA GLN 7 -7.214 7.543 -10.521 43 1HB GLN 7 1HB GLN 7 -6.751 8.018 -12.770 44 2HB GLN 7 2HB GLN 7 -8.434 8.336 -13.166 45 1HG GLN 7 1HG GLN 7 -6.986 5.986 -13.787 46 2HG GLN 7 2HG GLN 7 -8.037 5.468 -12.478 47 1HE2 GLN 7 1HE2 GLN 7 -10.609 5.075 -14.959 48 2HE2 GLN 7 2HE2 GLN 7 -9.593 4.351 -13.613 49 H ALA 8 H ALA 8 -10.546 8.513 -11.086 50 HA ALA 8 HA ALA 8 -10.400 11.363 -11.301 51 1HB ALA 8 1HB ALA 8 -12.711 11.415 -10.376 52 2HB ALA 8 2HB ALA 8 -12.515 10.105 -11.556 53 3HB ALA 8 3HB ALA 8 -12.559 9.733 -9.814 54 H GLU 9 H GLU 9 -10.997 9.555 -8.264 55 HA GLU 9 HA GLU 9 -10.629 11.865 -6.481 56 1HB GLU 9 1HB GLU 9 -10.661 10.216 -4.583 57 2HB GLU 9 2HB GLU 9 -12.045 10.127 -5.662 58 1HG GLU 9 1HG GLU 9 -11.653 7.953 -6.261 59 2HG GLU 9 2HG GLU 9 -9.926 8.195 -6.500 60 H ALA 10 H ALA 10 -8.529 9.130 -7.378 61 HA ALA 10 HA ALA 10 -6.357 9.565 -5.496 62 1HB ALA 10 1HB ALA 10 -4.995 8.130 -7.008 63 2HB ALA 10 2HB ALA 10 -6.615 7.450 -6.760 64 3HB ALA 10 3HB ALA 10 -6.219 8.268 -8.293 65 NH1 ARG 11 NH1 ARG 11 -8.544 12.971 -14.636 66 NH2 ARG 11 NH2 ARG 11 -8.018 10.875 -13.935 67 H ARG 11 H ARG 11 -7.142 11.047 -8.579 68 HA ARG 11 HA ARG 11 -4.451 12.310 -9.081 69 1HB ARG 11 1HB ARG 11 -5.263 12.250 -11.189 70 2HB ARG 11 2HB ARG 11 -6.869 11.826 -10.618 71 1HG ARG 11 1HG ARG 11 -7.551 14.156 -10.378 72 2HG ARG 11 2HG ARG 11 -5.907 14.747 -10.633 73 1HD ARG 11 1HD ARG 11 -7.857 14.488 -12.631 74 2HD ARG 11 2HD ARG 11 -6.130 14.701 -12.926 75 HE ARG 11 HE ARG 11 -6.020 12.069 -12.970 76 1HH1 ARG 11 1HH1 ARG 11 -7.431 10.283 -13.337 77 2HH1 ARG 11 2HH1 ARG 11 -8.748 10.562 -14.584 78 1HH2 ARG 11 1HH2 ARG 11 -8.401 13.981 -14.531 79 2HH2 ARG 11 2HH2 ARG 11 -9.195 12.506 -15.279 80 H ALA 12 H ALA 12 -7.759 13.524 -8.446 81 HA ALA 12 HA ALA 12 -7.338 16.277 -7.948 82 1HB ALA 12 1HB ALA 12 -9.312 16.235 -6.437 83 2HB ALA 12 2HB ALA 12 -9.589 15.250 -7.886 84 3HB ALA 12 3HB ALA 12 -9.232 14.460 -6.330 85 H PHE 13 H PHE 13 -6.524 13.537 -5.885 86 HA PHE 13 HA PHE 13 -5.947 14.960 -3.399 87 1HB PHE 13 1HB PHE 13 -6.403 12.527 -3.515 88 2HB PHE 13 2HB PHE 13 -4.927 12.236 -4.398 89 HD1 PHE 13 HD1 PHE 13 -2.678 12.502 -3.175 90 HD2 PHE 13 HD2 PHE 13 -6.420 12.891 -1.084 91 HE1 PHE 13 HE1 PHE 13 -1.525 12.172 -1.026 92 HE2 PHE 13 HE2 PHE 13 -5.249 12.563 1.053 93 HZ PHE 13 HZ PHE 13 -2.806 12.193 1.088 94 H LEU 14 H LEU 14 -3.672 13.470 -5.735 95 HA LEU 14 HA LEU 14 -1.502 15.502 -4.970 96 1HB LEU 14 1HB LEU 14 -0.072 13.619 -6.308 97 2HB LEU 14 2HB LEU 14 -0.313 13.611 -4.575 98 HG LEU 14 HG LEU 14 -2.320 12.019 -4.932 99 1HD1 LEU 14 1HD1 LEU 14 -2.446 10.774 -7.093 100 2HD1 LEU 14 2HD1 LEU 14 -2.755 12.501 -7.346 101 3HD1 LEU 14 3HD1 LEU 14 -1.177 11.809 -7.795 102 1HD2 LEU 14 1HD2 LEU 14 0.464 11.000 -5.818 103 2HD2 LEU 14 2HD2 LEU 14 -0.122 11.125 -4.141 104 3HD2 LEU 14 3HD2 LEU 14 -0.884 9.980 -5.254 105 H SER 15 H SER 15 -1.323 17.065 -6.359 106 HA SER 15 HA SER 15 -2.587 17.220 -8.991 107 1HB SER 15 1HB SER 15 -1.001 19.319 -9.213 108 2HB SER 15 2HB SER 15 -2.315 19.316 -8.034 109 HG SER 15 HG SER 15 0.412 19.246 -7.681 110 H GLU 16 H GLU 16 -0.852 18.228 -10.760 111 HA GLU 16 HA GLU 16 0.447 15.893 -11.954 112 1HB GLU 16 1HB GLU 16 -0.518 17.722 -13.305 113 2HB GLU 16 2HB GLU 16 0.687 18.854 -12.721 114 1HG GLU 16 1HG GLU 16 0.848 17.332 -15.075 115 2HG GLU 16 2HG GLU 16 1.859 16.391 -13.993 116 H GLU 17 H GLU 17 1.567 18.586 -10.005 117 HA GLU 17 HA GLU 17 4.448 18.377 -10.447 118 1HB GLU 17 1HB GLU 17 3.059 20.243 -9.177 119 2HB GLU 17 2HB GLU 17 3.397 19.294 -7.742 120 1HG GLU 17 1HG GLU 17 5.736 19.745 -7.817 121 2HG GLU 17 2HG GLU 17 5.747 20.028 -9.549 122 H MET 18 H MET 18 2.391 17.032 -7.849 123 HA MET 18 HA MET 18 4.490 15.455 -6.483 124 1HB MET 18 1HB MET 18 2.582 14.243 -5.365 125 2HB MET 18 2HB MET 18 1.444 15.072 -6.412 126 1HG MET 18 1HG MET 18 1.776 17.198 -5.349 127 2HG MET 18 2HG MET 18 3.335 16.725 -4.655 128 1HE MET 18 1HE MET 18 1.237 18.115 -2.794 129 2HE MET 18 2HE MET 18 1.250 17.047 -1.360 130 3HE MET 18 3HE MET 18 2.784 17.443 -2.190 131 H ILE 19 H ILE 19 2.224 14.901 -9.124 132 HA ILE 19 HA ILE 19 2.385 11.993 -9.322 133 HB ILE 19 HB ILE 19 1.374 14.177 -11.097 134 1HG1 ILE 19 1HG1 ILE 19 0.197 12.271 -9.406 135 2HG1 ILE 19 2HG1 ILE 19 -0.015 11.510 -10.968 136 1HG2 ILE 19 1HG2 ILE 19 1.095 12.718 -13.117 137 2HG2 ILE 19 2HG2 ILE 19 2.807 12.958 -12.772 138 3HG2 ILE 19 3HG2 ILE 19 2.030 11.419 -12.337 139 1HD1 ILE 19 1HD1 ILE 19 -1.276 13.442 -11.875 140 2HD1 ILE 19 2HD1 ILE 19 -1.996 12.885 -10.350 141 3HD1 ILE 19 3HD1 ILE 19 -1.000 14.360 -10.369 142 H ALA 20 H ALA 20 4.411 14.631 -10.492 143 HA ALA 20 HA ALA 20 6.007 13.428 -12.520 144 1HB ALA 20 1HB ALA 20 7.776 15.085 -11.939 145 2HB ALA 20 2HB ALA 20 6.165 15.828 -11.940 146 3HB ALA 20 3HB ALA 20 6.969 15.449 -10.395 147 H GLU 21 H GLU 21 6.239 13.086 -9.009 148 HA GLU 21 HA GLU 21 8.905 11.903 -8.796 149 1HB GLU 21 1HB GLU 21 6.497 11.703 -6.914 150 2HB GLU 21 2HB GLU 21 8.068 11.023 -6.537 151 1HG GLU 21 1HG GLU 21 7.910 13.985 -7.288 152 2HG GLU 21 2HG GLU 21 9.093 13.168 -6.281 153 H PHE 22 H PHE 22 5.648 10.516 -9.114 154 HA PHE 22 HA PHE 22 6.513 7.671 -9.130 155 1HB PHE 22 1HB PHE 22 3.804 8.672 -10.167 156 2HB PHE 22 2HB PHE 22 4.209 7.100 -9.534 157 HD1 PHE 22 HD1 PHE 22 3.712 10.676 -8.488 158 HD2 PHE 22 HD2 PHE 22 4.183 6.612 -7.149 159 HE1 PHE 22 HE1 PHE 22 3.044 11.337 -6.216 160 HE2 PHE 22 HE2 PHE 22 3.523 7.296 -4.879 161 HZ PHE 22 HZ PHE 22 2.927 9.649 -4.413 162 H LYS 23 H LYS 23 6.195 10.199 -11.504 163 HA LYS 23 HA LYS 23 5.775 8.728 -13.978 164 1HB LYS 23 1HB LYS 23 6.891 11.439 -13.285 165 2HB LYS 23 2HB LYS 23 7.459 10.780 -14.803 166 1HG LYS 23 1HG LYS 23 5.115 10.560 -15.643 167 2HG LYS 23 2HG LYS 23 4.491 11.062 -14.081 168 1HD LYS 23 1HD LYS 23 6.381 12.935 -15.594 169 2HD LYS 23 2HD LYS 23 5.204 13.341 -14.340 170 1HE LYS 23 1HE LYS 23 4.744 12.856 -17.305 171 2HE LYS 23 2HE LYS 23 3.458 12.318 -16.216 172 1HZ LYS 23 1HZ LYS 23 4.594 15.042 -15.947 173 2HZ LYS 23 2HZ LYS 23 3.115 14.488 -15.461 174 3HZ LYS 23 3HZ LYS 23 3.423 14.722 -17.067 175 H ALA 24 H ALA 24 8.704 9.445 -12.112 176 HA ALA 24 HA ALA 24 10.698 8.526 -14.042 177 1HB ALA 24 1HB ALA 24 12.285 8.541 -12.128 178 2HB ALA 24 2HB ALA 24 11.288 10.007 -12.145 179 3HB ALA 24 3HB ALA 24 10.942 8.711 -10.973 180 H ALA 25 H ALA 25 9.904 6.942 -10.935 181 HA ALA 25 HA ALA 25 11.134 4.372 -11.459 182 1HB ALA 25 1HB ALA 25 9.816 3.538 -9.521 183 2HB ALA 25 2HB ALA 25 10.529 5.125 -9.177 184 3HB ALA 25 3HB ALA 25 8.791 4.993 -9.549 185 H PHE 26 H PHE 26 8.038 5.688 -12.397 186 HA PHE 26 HA PHE 26 6.417 3.303 -12.769 187 1HB PHE 26 1HB PHE 26 5.362 5.503 -12.911 188 2HB PHE 26 2HB PHE 26 6.300 5.961 -14.307 189 HD1 PHE 26 HD1 PHE 26 3.800 3.334 -13.171 190 HD2 PHE 26 HD2 PHE 26 5.361 5.579 -16.492 191 HE1 PHE 26 HE1 PHE 26 2.021 2.445 -14.622 192 HE2 PHE 26 HE2 PHE 26 3.574 4.678 -17.928 193 HZ PHE 26 HZ PHE 26 1.886 3.138 -16.990 194 H ASP 27 H ASP 27 8.705 4.962 -14.926 195 HA ASP 27 HA ASP 27 8.338 3.251 -17.288 196 1HB ASP 27 1HB ASP 27 10.873 4.866 -16.673 197 2HB ASP 27 2HB ASP 27 10.346 4.268 -18.230 198 H MET 28 H MET 28 10.411 3.125 -14.446 199 HA MET 28 HA MET 28 12.337 1.103 -15.178 200 1HB MET 28 1HB MET 28 11.997 2.471 -12.869 201 2HB MET 28 2HB MET 28 11.198 0.991 -12.371 202 1HG MET 28 1HG MET 28 13.476 0.739 -11.654 203 2HG MET 28 2HG MET 28 13.341 -0.301 -13.082 204 1HE MET 28 1HE MET 28 14.283 3.433 -11.929 205 2HE MET 28 2HE MET 28 15.008 4.059 -13.440 206 3HE MET 28 3HE MET 28 13.265 3.661 -13.386 207 H PHE 29 H PHE 29 9.056 0.763 -13.832 208 HA PHE 29 HA PHE 29 9.072 -2.211 -13.746 209 1HB PHE 29 1HB PHE 29 6.643 -0.321 -13.612 210 2HB PHE 29 2HB PHE 29 6.624 -2.027 -13.251 211 HD1 PHE 29 HD1 PHE 29 9.769 -0.855 -12.064 212 HD2 PHE 29 HD2 PHE 29 5.580 -0.724 -11.079 213 HE1 PHE 29 HE1 PHE 29 10.324 -0.386 -9.712 214 HE2 PHE 29 HE2 PHE 29 6.159 -0.261 -8.732 215 HZ PHE 29 HZ PHE 29 8.524 -0.099 -8.043 216 H ASP 30 H ASP 30 8.034 0.306 -15.986 217 HA ASP 30 HA ASP 30 6.426 -1.081 -17.885 218 1HB ASP 30 1HB ASP 30 8.543 0.990 -18.695 219 2HB ASP 30 2HB ASP 30 7.024 1.405 -17.935 220 H ALA 31 H ALA 31 9.965 -0.613 -18.182 221 HA ALA 31 HA ALA 31 11.698 -2.195 -18.778 222 1HB ALA 31 1HB ALA 31 11.149 -4.535 -19.419 223 2HB ALA 31 2HB ALA 31 10.346 -4.068 -17.907 224 3HB ALA 31 3HB ALA 31 9.408 -4.165 -19.420 225 H ASP 32 H ASP 32 8.836 -1.916 -20.879 226 HA ASP 32 HA ASP 32 10.479 -2.143 -23.416 227 1HB ASP 32 1HB ASP 32 8.085 -1.768 -24.498 228 2HB ASP 32 2HB ASP 32 8.577 -3.326 -23.877 229 H GLY 33 H GLY 33 7.782 0.048 -22.598 230 1HA GLY 33 1HA GLY 33 8.468 2.629 -22.271 231 2HA GLY 33 2HA GLY 33 9.390 2.378 -23.735 232 H GLY 34 H GLY 34 6.157 1.150 -22.857 233 1HA GLY 34 1HA GLY 34 4.924 2.265 -25.409 234 2HA GLY 34 2HA GLY 34 4.164 1.093 -24.325 235 H GLY 35 H GLY 35 3.509 1.834 -22.183 236 1HA GLY 35 1HA GLY 35 3.233 4.601 -21.320 237 2HA GLY 35 2HA GLY 35 1.799 4.238 -22.291 238 H ASP 36 H ASP 36 1.745 1.415 -21.614 239 HA ASP 36 HA ASP 36 0.742 1.547 -18.720 240 1HB ASP 36 1HB ASP 36 -0.725 -0.538 -19.703 241 2HB ASP 36 2HB ASP 36 -1.279 1.118 -19.612 242 H ILE 37 H ILE 37 0.576 -0.736 -17.787 243 HA ILE 37 HA ILE 37 3.203 -2.240 -18.273 244 HB ILE 37 HB ILE 37 2.054 -2.543 -15.563 245 1HG1 ILE 37 1HG1 ILE 37 2.824 0.239 -16.478 246 2HG1 ILE 37 2HG1 ILE 37 1.651 -0.270 -15.279 247 1HG2 ILE 37 1HG2 ILE 37 4.423 -2.583 -14.888 248 2HG2 ILE 37 2HG2 ILE 37 4.189 -3.612 -16.308 249 3HG2 ILE 37 3HG2 ILE 37 4.938 -2.008 -16.492 250 1HD1 ILE 37 1HD1 ILE 37 4.693 -0.194 -14.815 251 2HD1 ILE 37 2HD1 ILE 37 3.463 0.894 -14.134 252 3HD1 ILE 37 3HD1 ILE 37 3.502 -0.815 -13.640 253 H SER 38 H SER 38 2.774 -4.402 -16.674 254 HA SER 38 HA SER 38 0.127 -5.716 -17.213 255 1HB SER 38 1HB SER 38 0.580 -7.001 -19.033 256 2HB SER 38 2HB SER 38 1.748 -5.730 -19.401 257 HG SER 38 HG SER 38 2.805 -7.624 -19.496 258 H THR 39 H THR 39 0.781 -8.306 -16.980 259 HA THR 39 HA THR 39 1.734 -8.555 -14.134 260 HB THR 39 HB THR 39 1.167 -11.166 -15.021 261 HG1 THR 39 HG1 THR 39 -0.942 -9.534 -15.871 262 1HG2 THR 39 1HG2 THR 39 -0.859 -11.039 -13.640 263 2HG2 THR 39 2HG2 THR 39 0.452 -10.171 -12.807 264 3HG2 THR 39 3HG2 THR 39 -0.830 -9.261 -13.650 265 H LYS 40 H LYS 40 2.700 -9.488 -17.403 266 HA LYS 40 HA LYS 40 4.965 -11.221 -16.686 267 1HB LYS 40 1HB LYS 40 3.770 -11.241 -18.885 268 2HB LYS 40 2HB LYS 40 4.469 -9.705 -19.328 269 1HG LYS 40 1HG LYS 40 5.828 -12.435 -18.895 270 2HG LYS 40 2HG LYS 40 6.792 -10.983 -18.945 271 1HD LYS 40 1HD LYS 40 5.099 -12.082 -21.287 272 2HD LYS 40 2HD LYS 40 5.857 -10.516 -21.271 273 1HE LYS 40 1HE LYS 40 7.123 -12.471 -22.446 274 2HE LYS 40 2HE LYS 40 8.043 -11.295 -21.518 275 1HZ LYS 40 1HZ LYS 40 8.774 -13.488 -20.962 276 2HZ LYS 40 2HZ LYS 40 7.247 -14.034 -20.649 277 3HZ LYS 40 3HZ LYS 40 7.958 -12.942 -19.634 278 H GLU 41 H GLU 41 4.555 -7.768 -17.396 279 HA GLU 41 HA GLU 41 7.442 -7.060 -17.439 280 1HB GLU 41 1HB GLU 41 6.700 -5.241 -18.441 281 2HB GLU 41 2HB GLU 41 6.042 -4.672 -16.922 282 1HG GLU 41 1HG GLU 41 4.218 -6.570 -18.377 283 2HG GLU 41 2HG GLU 41 3.858 -5.080 -17.532 284 H LEU 42 H LEU 42 4.787 -6.793 -15.086 285 HA LEU 42 HA LEU 42 6.128 -5.292 -12.991 286 1HB LEU 42 1HB LEU 42 3.757 -5.498 -12.804 287 2HB LEU 42 2HB LEU 42 3.779 -7.241 -12.961 288 HG LEU 42 HG LEU 42 4.601 -7.560 -10.685 289 1HD1 LEU 42 1HD1 LEU 42 2.445 -5.361 -10.549 290 2HD1 LEU 42 2HD1 LEU 42 2.114 -7.035 -11.020 291 3HD1 LEU 42 3HD1 LEU 42 2.717 -6.680 -9.382 292 1HD2 LEU 42 1HD2 LEU 42 5.236 -5.740 -9.140 293 2HD2 LEU 42 2HD2 LEU 42 6.211 -5.571 -10.621 294 3HD2 LEU 42 3HD2 LEU 42 4.826 -4.498 -10.351 295 H GLY 43 H GLY 43 5.897 -8.781 -13.621 296 1HA GLY 43 1HA GLY 43 7.107 -10.693 -12.752 297 2HA GLY 43 2HA GLY 43 7.168 -9.805 -11.224 298 H THR 44 H THR 44 8.504 -8.477 -14.176 299 HA THR 44 HA THR 44 11.219 -9.528 -14.006 300 HB THR 44 HB THR 44 10.095 -7.106 -15.475 301 HG1 THR 44 HG1 THR 44 11.183 -9.586 -16.295 302 1HG2 THR 44 1HG2 THR 44 12.249 -6.927 -16.733 303 2HG2 THR 44 2HG2 THR 44 12.467 -6.497 -15.024 304 3HG2 THR 44 3HG2 THR 44 13.013 -8.086 -15.618 305 H VAL 45 H VAL 45 9.873 -6.360 -13.053 306 HA VAL 45 HA VAL 45 12.294 -5.134 -12.033 307 HB VAL 45 HB VAL 45 9.498 -4.420 -12.095 308 1HG1 VAL 45 1HG1 VAL 45 9.254 -3.115 -9.985 309 2HG1 VAL 45 2HG1 VAL 45 9.397 -4.840 -9.626 310 3HG1 VAL 45 3HG1 VAL 45 10.793 -3.770 -9.367 311 1HG2 VAL 45 1HG2 VAL 45 11.969 -2.665 -11.485 312 2HG2 VAL 45 2HG2 VAL 45 11.314 -3.013 -13.102 313 3HG2 VAL 45 3HG2 VAL 45 10.352 -2.075 -11.951 314 H MET 46 H MET 46 9.788 -7.105 -10.438 315 HA MET 46 HA MET 46 10.799 -6.947 -7.692 316 1HB MET 46 1HB MET 46 9.225 -8.594 -7.084 317 2HB MET 46 2HB MET 46 8.466 -7.742 -8.416 318 1HG MET 46 1HG MET 46 10.019 -10.176 -9.278 319 2HG MET 46 2HG MET 46 8.423 -9.602 -9.791 320 1HE MET 46 1HE MET 46 6.275 -9.543 -7.880 321 2HE MET 46 2HE MET 46 6.335 -10.530 -6.390 322 3HE MET 46 3HE MET 46 7.351 -9.065 -6.530 323 NH1 ARG 47 NH1 ARG 47 18.402 -12.367 -12.392 324 NH2 ARG 47 NH2 ARG 47 18.539 -13.430 -10.388 325 H ARG 47 H ARG 47 11.476 -9.055 -10.435 326 HA ARG 47 HA ARG 47 13.074 -11.148 -9.170 327 1HB ARG 47 1HB ARG 47 13.496 -10.056 -12.012 328 2HB ARG 47 2HB ARG 47 12.178 -11.130 -11.564 329 1HG ARG 47 1HG ARG 47 13.710 -12.704 -12.327 330 2HG ARG 47 2HG ARG 47 14.077 -12.725 -10.601 331 1HD ARG 47 1HD ARG 47 15.817 -11.873 -12.872 332 2HD ARG 47 2HD ARG 47 15.740 -10.642 -11.621 333 HE ARG 47 HE ARG 47 16.242 -12.842 -10.027 334 1HH1 ARG 47 1HH1 ARG 47 17.823 -11.838 -13.053 335 2HH1 ARG 47 2HH1 ARG 47 19.385 -12.634 -12.514 336 1HH2 ARG 47 1HH2 ARG 47 18.068 -13.713 -9.522 337 2HH2 ARG 47 2HH2 ARG 47 19.512 -13.622 -10.650 338 H MET 48 H MET 48 13.921 -7.983 -10.551 339 HA MET 48 HA MET 48 16.790 -8.048 -10.458 340 1HB MET 48 1HB MET 48 15.081 -6.087 -11.216 341 2HB MET 48 2HB MET 48 16.794 -5.835 -10.933 342 1HG MET 48 1HG MET 48 15.233 -5.460 -8.420 343 2HG MET 48 2HG MET 48 14.681 -4.400 -9.727 344 1HE MET 48 1HE MET 48 15.712 -2.127 -10.154 345 2HE MET 48 2HE MET 48 17.476 -1.905 -10.347 346 3HE MET 48 3HE MET 48 16.606 -3.070 -11.387 347 H LEU 49 H LEU 49 14.433 -7.521 -7.888 348 HA LEU 49 HA LEU 49 16.235 -6.595 -5.768 349 1HB LEU 49 1HB LEU 49 13.514 -6.773 -5.964 350 2HB LEU 49 2HB LEU 49 14.384 -6.472 -4.475 351 HG LEU 49 HG LEU 49 13.702 -9.349 -5.280 352 1HD1 LEU 49 1HD1 LEU 49 11.808 -7.497 -3.703 353 2HD1 LEU 49 2HD1 LEU 49 11.573 -7.953 -5.400 354 3HD1 LEU 49 3HD1 LEU 49 11.526 -9.203 -4.133 355 1HD2 LEU 49 1HD2 LEU 49 13.822 -9.820 -2.869 356 2HD2 LEU 49 2HD2 LEU 49 15.286 -8.902 -3.298 357 3HD2 LEU 49 3HD2 LEU 49 13.949 -8.088 -2.474 358 H GLY 50 H GLY 50 14.968 -9.813 -6.638 359 1HA GLY 50 1HA GLY 50 17.018 -11.572 -6.680 360 2HA GLY 50 2HA GLY 50 17.160 -11.151 -4.967 361 H GLN 51 H GLN 51 14.466 -11.926 -7.184 362 HA GLN 51 HA GLN 51 13.656 -14.300 -5.441 363 1HB GLN 51 1HB GLN 51 11.157 -13.459 -5.984 364 2HB GLN 51 2HB GLN 51 11.922 -11.882 -6.043 365 1HG GLN 51 1HG GLN 51 12.328 -11.797 -3.760 366 2HG GLN 51 2HG GLN 51 12.639 -13.512 -3.611 367 1HE2 GLN 51 1HE2 GLN 51 8.799 -12.085 -3.031 368 2HE2 GLN 51 2HE2 GLN 51 10.117 -11.037 -3.761 369 H ASN 52 H ASN 52 11.985 -15.603 -6.654 370 HA ASN 52 HA ASN 52 12.007 -15.281 -9.653 371 1HB ASN 52 1HB ASN 52 12.824 -17.972 -8.420 372 2HB ASN 52 2HB ASN 52 14.002 -16.774 -8.908 373 1HD2 ASN 52 1HD2 ASN 52 12.985 -19.405 -11.642 374 2HD2 ASN 52 2HD2 ASN 52 13.357 -19.549 -9.851 375 HA PRO 53 HA PRO 53 7.807 -16.836 -8.084 376 1HB PRO 53 1HB PRO 53 6.172 -15.119 -9.485 377 2HB PRO 53 2HB PRO 53 7.040 -14.671 -8.009 378 1HG PRO 53 1HG PRO 53 7.789 -14.033 -10.898 379 2HG PRO 53 2HG PRO 53 7.856 -12.956 -9.484 380 1HD PRO 53 1HD PRO 53 10.009 -13.789 -8.865 381 2HD PRO 53 2HD PRO 53 10.074 -14.412 -10.540 382 H THR 54 H THR 54 5.770 -17.382 -9.561 383 HA THR 54 HA THR 54 6.739 -18.916 -12.026 384 HB THR 54 HB THR 54 6.012 -20.444 -10.292 385 HG1 THR 54 HG1 THR 54 4.902 -21.621 -11.600 386 1HG2 THR 54 1HG2 THR 54 3.690 -20.611 -9.457 387 2HG2 THR 54 2HG2 THR 54 4.379 -19.035 -9.003 388 3HG2 THR 54 3HG2 THR 54 3.217 -19.145 -10.349 389 H LYS 55 H LYS 55 5.383 -18.975 -13.845 390 HA LYS 55 HA LYS 55 4.441 -16.374 -14.717 391 1HB LYS 55 1HB LYS 55 4.526 -17.345 -16.756 392 2HB LYS 55 2HB LYS 55 4.973 -18.849 -15.976 393 1HG LYS 55 1HG LYS 55 2.059 -18.561 -15.908 394 2HG LYS 55 2HG LYS 55 2.626 -18.282 -17.545 395 1HD LYS 55 1HD LYS 55 3.445 -20.522 -17.790 396 2HD LYS 55 2HD LYS 55 1.995 -20.726 -16.818 397 1HE LYS 55 1HE LYS 55 4.794 -20.525 -15.569 398 2HE LYS 55 2HE LYS 55 3.309 -20.973 -14.733 399 1HZ LYS 55 1HZ LYS 55 4.103 -22.607 -17.052 400 2HZ LYS 55 2HZ LYS 55 3.367 -23.070 -15.647 401 3HZ LYS 55 3HZ LYS 55 4.991 -22.763 -15.668 402 H GLU 56 H GLU 56 2.799 -19.187 -13.371 403 HA GLU 56 HA GLU 56 0.026 -18.266 -13.850 404 1HB GLU 56 1HB GLU 56 0.939 -20.707 -13.494 405 2HB GLU 56 2HB GLU 56 -0.688 -20.272 -13.005 406 1HG GLU 56 1HG GLU 56 0.213 -19.950 -10.595 407 2HG GLU 56 2HG GLU 56 1.757 -20.573 -11.148 408 H GLU 57 H GLU 57 2.019 -18.614 -10.897 409 HA GLU 57 HA GLU 57 0.287 -17.589 -8.902 410 1HB GLU 57 1HB GLU 57 3.311 -17.481 -9.107 411 2HB GLU 57 2HB GLU 57 2.296 -18.531 -8.142 412 1HG GLU 57 1HG GLU 57 3.681 -16.457 -7.068 413 2HG GLU 57 2HG GLU 57 2.249 -15.534 -7.505 414 H LEU 58 H LEU 58 2.353 -15.754 -11.134 415 HA LEU 58 HA LEU 58 2.091 -13.108 -9.969 416 1HB LEU 58 1HB LEU 58 3.169 -14.292 -12.440 417 2HB LEU 58 2HB LEU 58 2.372 -12.772 -12.795 418 HG LEU 58 HG LEU 58 4.299 -12.828 -10.433 419 1HD1 LEU 58 1HD1 LEU 58 6.272 -12.403 -11.951 420 2HD1 LEU 58 2HD1 LEU 58 5.636 -14.040 -12.168 421 3HD1 LEU 58 3HD1 LEU 58 5.270 -12.783 -13.375 422 1HD2 LEU 58 1HD2 LEU 58 3.717 -10.716 -12.611 423 2HD2 LEU 58 2HD2 LEU 58 3.037 -10.738 -10.965 424 3HD2 LEU 58 3HD2 LEU 58 4.779 -10.499 -11.197 425 H ASP 59 H ASP 59 0.356 -14.587 -12.730 426 HA ASP 59 HA ASP 59 -1.581 -12.588 -13.367 427 1HB ASP 59 1HB ASP 59 -1.311 -14.686 -14.688 428 2HB ASP 59 2HB ASP 59 -2.040 -15.623 -13.405 429 H ALA 60 H ALA 60 -1.454 -14.793 -10.638 430 HA ALA 60 HA ALA 60 -4.150 -14.410 -9.559 431 1HB ALA 60 1HB ALA 60 -3.231 -15.369 -7.453 432 2HB ALA 60 2HB ALA 60 -2.720 -16.307 -8.869 433 3HB ALA 60 3HB ALA 60 -1.568 -15.208 -8.067 434 H ILE 61 H ILE 61 -1.012 -12.942 -8.658 435 HA ILE 61 HA ILE 61 -1.691 -11.122 -6.616 436 HB ILE 61 HB ILE 61 0.367 -10.819 -8.833 437 1HG1 ILE 61 1HG1 ILE 61 0.665 -11.356 -5.803 438 2HG1 ILE 61 2HG1 ILE 61 1.942 -11.394 -7.012 439 1HG2 ILE 61 1HG2 ILE 61 1.427 -8.941 -7.545 440 2HG2 ILE 61 2HG2 ILE 61 -0.163 -8.475 -8.147 441 3HG2 ILE 61 3HG2 ILE 61 0.037 -8.904 -6.432 442 1HD1 ILE 61 1HD1 ILE 61 1.035 -13.430 -8.073 443 2HD1 ILE 61 2HD1 ILE 61 1.257 -13.687 -6.329 444 3HD1 ILE 61 3HD1 ILE 61 -0.375 -13.401 -6.978 445 H ILE 62 H ILE 62 -1.905 -10.530 -10.140 446 HA ILE 62 HA ILE 62 -3.021 -7.797 -9.925 447 HB ILE 62 HB ILE 62 -2.739 -9.724 -12.271 448 1HG1 ILE 62 1HG1 ILE 62 -0.605 -8.764 -11.801 449 2HG1 ILE 62 2HG1 ILE 62 -1.272 -7.218 -11.322 450 1HG2 ILE 62 1HG2 ILE 62 -3.563 -7.933 -13.824 451 2HG2 ILE 62 2HG2 ILE 62 -4.844 -8.419 -12.717 452 3HG2 ILE 62 3HG2 ILE 62 -3.975 -6.893 -12.438 453 1HD1 ILE 62 1HD1 ILE 62 -1.768 -6.568 -13.662 454 2HD1 ILE 62 2HD1 ILE 62 -0.069 -7.056 -13.495 455 3HD1 ILE 62 3HD1 ILE 62 -1.236 -8.170 -14.245 456 H GLU 63 H GLU 63 -4.326 -11.064 -10.309 457 HA GLU 63 HA GLU 63 -7.111 -10.552 -10.865 458 1HB GLU 63 1HB GLU 63 -5.576 -12.850 -9.805 459 2HB GLU 63 2HB GLU 63 -7.166 -12.745 -9.076 460 1HG GLU 63 1HG GLU 63 -7.646 -12.332 -11.874 461 2HG GLU 63 2HG GLU 63 -6.389 -13.556 -11.822 462 H GLU 64 H GLU 64 -5.240 -10.288 -7.893 463 HA GLU 64 HA GLU 64 -7.421 -10.040 -5.935 464 1HB GLU 64 1HB GLU 64 -5.680 -10.233 -4.568 465 2HB GLU 64 2HB GLU 64 -4.542 -9.965 -5.873 466 1HG GLU 64 1HG GLU 64 -5.881 -7.589 -4.451 467 2HG GLU 64 2HG GLU 64 -4.428 -7.573 -5.436 468 H VAL 65 H VAL 65 -5.297 -7.539 -7.378 469 HA VAL 65 HA VAL 65 -7.281 -5.329 -6.902 470 HB VAL 65 HB VAL 65 -4.659 -5.141 -6.857 471 1HG1 VAL 65 1HG1 VAL 65 -6.242 -2.876 -8.231 472 2HG1 VAL 65 2HG1 VAL 65 -6.369 -3.257 -6.504 473 3HG1 VAL 65 3HG1 VAL 65 -4.812 -2.721 -7.181 474 1HG2 VAL 65 1HG2 VAL 65 -3.528 -4.394 -8.892 475 2HG2 VAL 65 2HG2 VAL 65 -4.326 -5.933 -9.298 476 3HG2 VAL 65 3HG2 VAL 65 -5.041 -4.406 -9.832 477 H ASP 66 H ASP 66 -6.704 -4.017 -9.466 478 HA ASP 66 HA ASP 66 -7.595 -3.818 -11.684 479 1HB ASP 66 1HB ASP 66 -6.318 -6.247 -11.752 480 2HB ASP 66 2HB ASP 66 -7.952 -6.786 -12.062 481 H GLU 67 H GLU 67 -9.359 -2.942 -10.428 482 HA GLU 67 HA GLU 67 -11.773 -4.591 -9.795 483 1HB GLU 67 1HB GLU 67 -11.766 -1.544 -9.799 484 2HB GLU 67 2HB GLU 67 -10.880 -2.426 -8.570 485 1HG GLU 67 1HG GLU 67 -13.852 -3.033 -9.078 486 2HG GLU 67 2HG GLU 67 -13.377 -1.642 -8.118 487 H ASP 68 H ASP 68 -10.638 -2.507 -12.382 488 HA ASP 68 HA ASP 68 -13.276 -2.298 -13.789 489 1HB ASP 68 1HB ASP 68 -11.951 -0.379 -14.152 490 2HB ASP 68 2HB ASP 68 -11.942 -1.236 -15.677 491 H GLY 69 H GLY 69 -10.387 -4.297 -13.912 492 1HA GLY 69 1HA GLY 69 -10.194 -6.594 -14.777 493 2HA GLY 69 2HA GLY 69 -11.835 -6.452 -15.421 494 H SER 70 H SER 70 -9.112 -4.246 -15.955 495 HA SER 70 HA SER 70 -9.405 -4.303 -18.944 496 1HB SER 70 1HB SER 70 -7.358 -2.741 -18.837 497 2HB SER 70 2HB SER 70 -8.859 -2.161 -18.113 498 HG SER 70 HG SER 70 -6.722 -3.421 -16.729 499 H GLY 71 H GLY 71 -7.155 -5.489 -16.459 500 1HA GLY 71 1HA GLY 71 -6.065 -7.788 -16.804 501 2HA GLY 71 2HA GLY 71 -5.877 -7.371 -18.513 502 H THR 72 H THR 72 -5.091 -4.618 -17.997 503 HA THR 72 HA THR 72 -2.182 -5.090 -17.196 504 HB THR 72 HB THR 72 -1.819 -2.835 -18.480 505 HG1 THR 72 HG1 THR 72 -4.212 -3.742 -19.682 506 1HG2 THR 72 1HG2 THR 72 -1.507 -3.941 -20.656 507 2HG2 THR 72 2HG2 THR 72 -0.934 -5.029 -19.373 508 3HG2 THR 72 3HG2 THR 72 -2.500 -5.333 -20.169 509 H ILE 73 H ILE 73 -1.279 -2.646 -16.668 510 HA ILE 73 HA ILE 73 -3.028 -1.388 -14.497 511 HB ILE 73 HB ILE 73 -0.164 -2.381 -14.106 512 1HG1 ILE 73 1HG1 ILE 73 -2.866 -3.133 -12.865 513 2HG1 ILE 73 2HG1 ILE 73 -1.658 -4.180 -13.579 514 1HG2 ILE 73 1HG2 ILE 73 -0.105 -1.231 -11.897 515 2HG2 ILE 73 2HG2 ILE 73 -0.360 -0.037 -13.177 516 3HG2 ILE 73 3HG2 ILE 73 -1.726 -0.546 -12.156 517 1HD1 ILE 73 1HD1 ILE 73 -1.346 -2.801 -10.849 518 2HD1 ILE 73 2HD1 ILE 73 -1.643 -4.523 -11.168 519 3HD1 ILE 73 3HD1 ILE 73 -0.090 -3.792 -11.641 520 H ASP 74 H ASP 74 -3.428 0.232 -15.993 521 HA ASP 74 HA ASP 74 -1.414 1.758 -17.473 522 1HB ASP 74 1HB ASP 74 -4.009 3.109 -16.663 523 2HB ASP 74 2HB ASP 74 -3.098 3.237 -18.149 524 H PHE 75 H PHE 75 -1.405 4.287 -17.029 525 HA PHE 75 HA PHE 75 0.278 4.632 -14.606 526 1HB PHE 75 1HB PHE 75 0.768 5.824 -16.758 527 2HB PHE 75 2HB PHE 75 -0.719 6.726 -16.631 528 HD1 PHE 75 HD1 PHE 75 0.449 8.905 -16.654 529 HD2 PHE 75 HD2 PHE 75 1.339 6.034 -13.574 530 HE1 PHE 75 HE1 PHE 75 1.576 10.651 -15.337 531 HE2 PHE 75 HE2 PHE 75 2.456 7.798 -12.269 532 HZ PHE 75 HZ PHE 75 2.583 10.102 -13.147 533 H GLU 76 H GLU 76 -2.974 5.563 -15.648 534 HA GLU 76 HA GLU 76 -3.653 7.315 -13.380 535 1HB GLU 76 1HB GLU 76 -5.942 5.975 -14.740 536 2HB GLU 76 2HB GLU 76 -5.677 7.656 -14.331 537 1HG GLU 76 1HG GLU 76 -3.889 6.674 -16.537 538 2HG GLU 76 2HG GLU 76 -5.598 6.558 -16.896 539 H GLU 77 H GLU 77 -3.935 3.871 -14.027 540 HA GLU 77 HA GLU 77 -5.613 3.215 -11.641 541 1HB GLU 77 1HB GLU 77 -6.016 1.666 -13.288 542 2HB GLU 77 2HB GLU 77 -4.366 1.635 -13.865 543 1HG GLU 77 1HG GLU 77 -5.225 0.344 -11.199 544 2HG GLU 77 2HG GLU 77 -3.651 0.186 -11.970 545 H PHE 78 H PHE 78 -2.203 3.373 -12.422 546 HA PHE 78 HA PHE 78 -1.112 1.862 -10.175 547 1HB PHE 78 1HB PHE 78 0.183 2.553 -12.254 548 2HB PHE 78 2HB PHE 78 0.222 4.202 -11.686 549 HD1 PHE 78 HD1 PHE 78 1.717 0.857 -11.405 550 HD2 PHE 78 HD2 PHE 78 1.548 4.715 -9.509 551 HE1 PHE 78 HE1 PHE 78 3.815 0.374 -10.209 552 HE2 PHE 78 HE2 PHE 78 3.636 4.207 -8.309 553 HZ PHE 78 HZ PHE 78 4.775 2.043 -8.659 554 H LEU 79 H LEU 79 -1.943 5.282 -10.620 555 HA LEU 79 HA LEU 79 -0.929 6.271 -8.034 556 1HB LEU 79 1HB LEU 79 -2.789 7.422 -10.161 557 2HB LEU 79 2HB LEU 79 -2.697 8.211 -8.602 558 HG LEU 79 HG LEU 79 -0.031 7.657 -9.915 559 1HD1 LEU 79 1HD1 LEU 79 -0.219 9.589 -11.484 560 2HD1 LEU 79 2HD1 LEU 79 -1.392 8.326 -11.904 561 3HD1 LEU 79 3HD1 LEU 79 -1.938 9.798 -11.064 562 1HD2 LEU 79 1HD2 LEU 79 -1.193 10.152 -8.502 563 2HD2 LEU 79 2HD2 LEU 79 -0.111 8.941 -7.771 564 3HD2 LEU 79 3HD2 LEU 79 0.483 9.974 -9.079 565 H VAL 80 H VAL 80 -3.980 4.922 -9.152 566 HA VAL 80 HA VAL 80 -5.571 5.546 -6.731 567 HB VAL 80 HB VAL 80 -6.250 4.747 -9.276 568 1HG1 VAL 80 1HG1 VAL 80 -7.482 2.573 -9.133 569 2HG1 VAL 80 2HG1 VAL 80 -5.747 2.327 -8.897 570 3HG1 VAL 80 3HG1 VAL 80 -6.839 2.295 -7.494 571 1HG2 VAL 80 1HG2 VAL 80 -8.103 4.518 -6.814 572 2HG2 VAL 80 2HG2 VAL 80 -7.767 6.019 -7.708 573 3HG2 VAL 80 3HG2 VAL 80 -8.618 4.690 -8.510 574 H MET 81 H MET 81 -3.495 2.919 -7.814 575 HA MET 81 HA MET 81 -4.154 0.895 -5.795 576 1HB MET 81 1HB MET 81 -2.771 0.589 -7.998 577 2HB MET 81 2HB MET 81 -1.393 1.172 -7.083 578 1HG MET 81 1HG MET 81 -1.988 -0.756 -5.341 579 2HG MET 81 2HG MET 81 -2.959 -1.424 -6.664 580 1HE MET 81 1HE MET 81 -1.679 -3.609 -6.956 581 2HE MET 81 2HE MET 81 0.093 -3.755 -7.154 582 3HE MET 81 3HE MET 81 -0.588 -3.241 -5.584 583 H MET 82 H MET 82 -1.922 3.634 -5.880 584 HA MET 82 HA MET 82 -0.547 2.929 -3.297 585 1HB MET 82 1HB MET 82 1.107 4.249 -4.004 586 2HB MET 82 2HB MET 82 0.258 4.371 -5.532 587 1HG MET 82 1HG MET 82 0.351 6.618 -5.177 588 2HG MET 82 2HG MET 82 -1.003 6.413 -4.060 589 1HE MET 82 1HE MET 82 2.803 5.864 -4.395 590 2HE MET 82 2HE MET 82 2.751 4.900 -2.890 591 3HE MET 82 3HE MET 82 3.504 6.521 -2.882 592 H VAL 83 H VAL 83 -3.089 5.065 -4.469 593 HA VAL 83 HA VAL 83 -3.220 6.868 -2.121 594 HB VAL 83 HB VAL 83 -4.554 6.707 -4.706 595 1HG1 VAL 83 1HG1 VAL 83 -6.797 7.625 -4.094 596 2HG1 VAL 83 2HG1 VAL 83 -6.606 5.981 -3.470 597 3HG1 VAL 83 3HG1 VAL 83 -6.457 7.365 -2.364 598 1HG2 VAL 83 1HG2 VAL 83 -4.396 9.028 -2.669 599 2HG2 VAL 83 2HG2 VAL 83 -3.223 8.703 -3.966 600 3HG2 VAL 83 3HG2 VAL 83 -4.880 9.166 -4.379 601 NH1 ARG 84 NH1 ARG 84 -10.018 0.154 -1.263 602 NH2 ARG 84 NH2 ARG 84 -11.394 -0.909 -2.725 603 H ARG 84 H ARG 84 -4.799 3.882 -3.155 604 HA ARG 84 HA ARG 84 -7.054 3.718 -1.314 605 1HB ARG 84 1HB ARG 84 -5.536 1.774 -3.021 606 2HB ARG 84 2HB ARG 84 -6.241 1.060 -1.578 607 1HG ARG 84 1HG ARG 84 -7.747 2.559 -3.793 608 2HG ARG 84 2HG ARG 84 -8.502 2.177 -2.244 609 1HD ARG 84 1HD ARG 84 -7.605 0.273 -4.451 610 2HD ARG 84 2HD ARG 84 -7.587 -0.335 -2.795 611 HE ARG 84 HE ARG 84 -10.030 0.380 -4.408 612 1HH1 ARG 84 1HH1 ARG 84 -11.588 -1.174 -3.697 613 2HH1 ARG 84 2HH1 ARG 84 -11.964 -1.133 -1.901 614 1HH2 ARG 84 1HH2 ARG 84 -9.139 0.661 -1.113 615 2HH2 ARG 84 2HH2 ARG 84 -10.708 -0.105 -0.549 616 H GLN 85 H GLN 85 -3.906 2.023 -1.036 617 HA GLN 85 HA GLN 85 -4.246 1.143 1.741 618 1HB GLN 85 1HB GLN 85 -2.125 0.215 1.604 619 2HB GLN 85 2HB GLN 85 -2.607 0.257 -0.082 620 1HG GLN 85 1HG GLN 85 -1.118 2.712 0.787 621 2HG GLN 85 2HG GLN 85 -0.975 1.781 -0.688 622 1HE2 GLN 85 1HE2 GLN 85 1.259 0.507 2.603 623 2HE2 GLN 85 2HE2 GLN 85 -0.301 1.445 2.840 624 H MET 86 H MET 86 -2.956 4.051 0.238 625 HA MET 86 HA MET 86 -1.384 5.278 2.270 626 1HB MET 86 1HB MET 86 -2.692 6.214 -0.146 627 2HB MET 86 2HB MET 86 -3.043 7.370 1.125 628 1HG MET 86 1HG MET 86 -0.239 6.855 1.424 629 2HG MET 86 2HG MET 86 -0.513 6.932 -0.325 630 1HE MET 86 1HE MET 86 -3.354 8.805 -0.104 631 2HE MET 86 2HE MET 86 -2.656 10.412 -0.460 632 3HE MET 86 3HE MET 86 -2.173 8.995 -1.437 633 H LYS 87 H LYS 87 -4.901 5.093 1.971 634 HA LYS 87 HA LYS 87 -5.789 6.878 4.069 635 1HB LYS 87 1HB LYS 87 -7.760 5.165 4.360 636 2HB LYS 87 2HB LYS 87 -7.008 4.255 3.058 637 1HG LYS 87 1HG LYS 87 -7.192 7.019 2.174 638 2HG LYS 87 2HG LYS 87 -8.753 6.575 2.845 639 1HD LYS 87 1HD LYS 87 -7.296 5.478 0.412 640 2HD LYS 87 2HD LYS 87 -8.293 4.347 1.320 641 1HE LYS 87 1HE LYS 87 -10.085 6.481 1.084 642 2HE LYS 87 2HE LYS 87 -9.164 6.661 -0.415 643 1HZ LYS 87 1HZ LYS 87 -11.162 5.110 -0.435 644 2HZ LYS 87 2HZ LYS 87 -10.238 4.018 0.391 645 3HZ LYS 87 3HZ LYS 87 -9.775 4.522 -1.112 646 H GLU 88 H GLU 88 -6.377 6.474 6.230 647 HA GLU 88 HA GLU 88 -4.907 4.183 7.632 648 1HB GLU 88 1HB GLU 88 -4.744 6.151 9.542 649 2HB GLU 88 2HB GLU 88 -4.605 7.137 8.100 650 1HG GLU 88 1HG GLU 88 -2.355 6.677 8.395 651 2HG GLU 88 2HG GLU 88 -2.742 5.274 7.413 652 H ASP 89 H ASP 89 -7.461 3.927 6.880 653 HA ASP 89 HA ASP 89 -9.380 4.702 9.077 654 1HB ASP 89 1HB ASP 89 -10.084 2.700 6.887 655 2HB ASP 89 2HB ASP 89 -9.934 4.397 6.492 656 H ALA 90 H ALA 90 -7.679 1.848 7.839 657 HA ALA 90 HA ALA 90 -8.790 -0.028 9.908 658 1HB ALA 90 1HB ALA 90 -7.276 -1.737 8.872 659 2HB ALA 90 2HB ALA 90 -8.235 -0.912 7.628 660 3HB ALA 90 3HB ALA 90 -6.519 -0.491 7.849 Start of MODEL 19 Raw file had 660 H/Q atoms Start of MODEL 19 1 1H ALA 1 1H ALA 1 -20.453 -1.749 -14.147 2 2H ALA 1 2H ALA 1 -20.794 -0.158 -13.723 3 3H ALA 1 3H ALA 1 -20.671 -0.588 -15.344 4 HA ALA 1 HA ALA 1 -18.580 -0.262 -13.313 5 1HB ALA 1 1HB ALA 1 -17.049 -1.710 -14.371 6 2HB ALA 1 2HB ALA 1 -17.899 -1.688 -15.928 7 3HB ALA 1 3HB ALA 1 -18.553 -2.641 -14.571 8 H SER 2 H SER 2 -18.781 1.933 -13.612 9 HA SER 2 HA SER 2 -18.837 3.275 -16.274 10 1HB SER 2 1HB SER 2 -18.224 4.726 -13.665 11 2HB SER 2 2HB SER 2 -19.053 5.320 -15.106 12 HG SER 2 HG SER 2 -20.832 4.382 -14.507 13 H MET 3 H MET 3 -16.431 2.435 -13.845 14 HA MET 3 HA MET 3 -14.033 2.548 -13.785 15 1HB MET 3 1HB MET 3 -12.988 1.605 -15.606 16 2HB MET 3 2HB MET 3 -14.646 1.131 -15.935 17 1HG MET 3 1HG MET 3 -14.214 3.712 -17.232 18 2HG MET 3 2HG MET 3 -12.832 2.673 -17.601 19 1HE MET 3 1HE MET 3 -15.458 3.934 -19.354 20 2HE MET 3 2HE MET 3 -15.830 2.623 -20.513 21 3HE MET 3 3HE MET 3 -14.140 3.164 -20.293 22 H THR 4 H THR 4 -15.585 5.009 -13.816 23 HA THR 4 HA THR 4 -13.651 6.946 -15.162 24 HB THR 4 HB THR 4 -15.957 7.011 -16.071 25 HG1 THR 4 HG1 THR 4 -15.277 9.442 -14.857 26 1HG2 THR 4 1HG2 THR 4 -17.860 7.774 -15.010 27 2HG2 THR 4 2HG2 THR 4 -16.973 8.801 -13.862 28 3HG2 THR 4 3HG2 THR 4 -17.107 7.047 -13.574 29 H ASP 5 H ASP 5 -15.313 6.012 -12.224 30 HA ASP 5 HA ASP 5 -14.441 8.396 -10.624 31 1HB ASP 5 1HB ASP 5 -16.670 7.275 -10.222 32 2HB ASP 5 2HB ASP 5 -15.701 7.557 -8.794 33 H GLN 6 H GLN 6 -13.514 5.045 -11.117 34 HA GLN 6 HA GLN 6 -11.258 5.100 -9.096 35 1HB GLN 6 1HB GLN 6 -12.738 3.025 -9.678 36 2HB GLN 6 2HB GLN 6 -11.803 2.907 -11.157 37 1HG GLN 6 1HG GLN 6 -9.771 3.086 -9.222 38 2HG GLN 6 2HG GLN 6 -11.016 2.223 -8.347 39 1HE2 GLN 6 1HE2 GLN 6 -8.968 0.316 -11.378 40 2HE2 GLN 6 2HE2 GLN 6 -8.821 2.124 -11.100 41 H GLN 7 H GLN 7 -10.574 7.116 -10.364 42 HA GLN 7 HA GLN 7 -8.005 6.827 -11.509 43 1HB GLN 7 1HB GLN 7 -8.432 7.281 -14.023 44 2HB GLN 7 2HB GLN 7 -8.632 5.636 -13.436 45 1HG GLN 7 1HG GLN 7 -11.023 5.689 -13.585 46 2HG GLN 7 2HG GLN 7 -11.095 7.441 -13.680 47 1HE2 GLN 7 1HE2 GLN 7 -11.224 7.140 -17.252 48 2HE2 GLN 7 2HE2 GLN 7 -11.862 7.878 -15.699 49 H ALA 8 H ALA 8 -11.109 8.500 -11.826 50 HA ALA 8 HA ALA 8 -9.982 11.182 -12.455 51 1HB ALA 8 1HB ALA 8 -12.321 11.986 -12.178 52 2HB ALA 8 2HB ALA 8 -12.250 10.552 -13.220 53 3HB ALA 8 3HB ALA 8 -12.824 10.403 -11.539 54 H GLU 9 H GLU 9 -11.007 9.429 -9.571 55 HA GLU 9 HA GLU 9 -10.988 11.697 -7.661 56 1HB GLU 9 1HB GLU 9 -11.080 8.661 -7.306 57 2HB GLU 9 2HB GLU 9 -10.701 9.683 -5.927 58 1HG GLU 9 1HG GLU 9 -13.133 10.636 -7.405 59 2HG GLU 9 2HG GLU 9 -13.293 9.003 -6.768 60 H ALA 10 H ALA 10 -8.632 9.329 -8.791 61 HA ALA 10 HA ALA 10 -6.555 9.957 -6.728 62 1HB ALA 10 1HB ALA 10 -5.137 8.346 -7.990 63 2HB ALA 10 2HB ALA 10 -6.738 7.664 -7.648 64 3HB ALA 10 3HB ALA 10 -6.351 8.244 -9.288 65 NH1 ARG 11 NH1 ARG 11 -6.353 14.290 -17.183 66 NH2 ARG 11 NH2 ARG 11 -4.610 15.659 -16.684 67 H ARG 11 H ARG 11 -7.360 10.923 -10.003 68 HA ARG 11 HA ARG 11 -4.750 12.199 -10.716 69 1HB ARG 11 1HB ARG 11 -5.822 11.611 -12.682 70 2HB ARG 11 2HB ARG 11 -7.431 11.847 -12.015 71 1HG ARG 11 1HG ARG 11 -7.537 14.120 -12.537 72 2HG ARG 11 2HG ARG 11 -5.792 14.367 -12.435 73 1HD ARG 11 1HD ARG 11 -5.803 12.658 -14.574 74 2HD ARG 11 2HD ARG 11 -7.434 13.302 -14.776 75 HE ARG 11 HE ARG 11 -5.633 15.567 -14.384 76 1HH1 ARG 11 1HH1 ARG 11 -4.062 16.136 -15.959 77 2HH1 ARG 11 2HH1 ARG 11 -4.469 15.716 -17.698 78 1HH2 ARG 11 1HH2 ARG 11 -7.075 13.647 -16.840 79 2HH2 ARG 11 2HH2 ARG 11 -6.149 14.520 -18.162 80 H ALA 12 H ALA 12 -7.868 13.204 -9.394 81 HA ALA 12 HA ALA 12 -7.450 16.140 -9.615 82 1HB ALA 12 1HB ALA 12 -9.506 16.331 -8.229 83 2HB ALA 12 2HB ALA 12 -9.735 15.188 -9.568 84 3HB ALA 12 3HB ALA 12 -9.492 14.579 -7.912 85 H PHE 13 H PHE 13 -6.835 13.641 -7.209 86 HA PHE 13 HA PHE 13 -6.246 15.460 -4.930 87 1HB PHE 13 1HB PHE 13 -5.660 12.467 -5.298 88 2HB PHE 13 2HB PHE 13 -7.116 13.139 -4.613 89 HD1 PHE 13 HD1 PHE 13 -7.211 13.226 -2.226 90 HD2 PHE 13 HD2 PHE 13 -3.342 13.391 -4.106 91 HE1 PHE 13 HE1 PHE 13 -6.122 13.154 -0.019 92 HE2 PHE 13 HE2 PHE 13 -2.274 13.316 -1.892 93 HZ PHE 13 HZ PHE 13 -3.656 13.201 0.153 94 H LEU 14 H LEU 14 -4.334 13.447 -7.176 95 HA LEU 14 HA LEU 14 -1.680 14.544 -6.194 96 1HB LEU 14 1HB LEU 14 -0.599 12.881 -7.521 97 2HB LEU 14 2HB LEU 14 -1.981 12.651 -8.570 98 HG LEU 14 HG LEU 14 -3.093 11.820 -6.169 99 1HD1 LEU 14 1HD1 LEU 14 -0.153 10.905 -6.007 100 2HD1 LEU 14 2HD1 LEU 14 -0.867 12.156 -4.973 101 3HD1 LEU 14 3HD1 LEU 14 -1.470 10.482 -4.884 102 1HD2 LEU 14 1HD2 LEU 14 -2.845 9.513 -6.988 103 2HD2 LEU 14 2HD2 LEU 14 -3.038 10.561 -8.414 104 3HD2 LEU 14 3HD2 LEU 14 -1.433 9.953 -7.982 105 H SER 15 H SER 15 -1.161 16.460 -6.898 106 HA SER 15 HA SER 15 -2.193 17.864 -9.249 107 1HB SER 15 1HB SER 15 -1.027 18.787 -7.061 108 2HB SER 15 2HB SER 15 -0.907 19.671 -8.585 109 HG SER 15 HG SER 15 1.106 19.541 -7.890 110 H GLU 16 H GLU 16 -0.231 18.900 -10.680 111 HA GLU 16 HA GLU 16 0.572 16.751 -12.550 112 1HB GLU 16 1HB GLU 16 -0.148 19.027 -13.288 113 2HB GLU 16 2HB GLU 16 1.303 19.731 -12.603 114 1HG GLU 16 1HG GLU 16 2.624 18.092 -14.224 115 2HG GLU 16 2HG GLU 16 1.080 17.846 -15.021 116 H GLU 17 H GLU 17 2.138 18.677 -10.067 117 HA GLU 17 HA GLU 17 4.948 17.957 -10.805 118 1HB GLU 17 1HB GLU 17 4.147 20.117 -9.579 119 2HB GLU 17 2HB GLU 17 4.138 19.154 -8.114 120 1HG GLU 17 1HG GLU 17 6.462 19.107 -7.957 121 2HG GLU 17 2HG GLU 17 6.285 20.604 -8.855 122 H MET 18 H MET 18 2.500 16.910 -8.476 123 HA MET 18 HA MET 18 4.176 14.987 -6.943 124 1HB MET 18 1HB MET 18 2.101 14.142 -5.963 125 2HB MET 18 2HB MET 18 1.125 14.890 -7.214 126 1HG MET 18 1HG MET 18 2.835 16.799 -5.592 127 2HG MET 18 2HG MET 18 1.201 17.012 -6.243 128 1HE MET 18 1HE MET 18 1.310 18.162 -3.515 129 2HE MET 18 2HE MET 18 1.343 17.082 -2.089 130 3HE MET 18 3HE MET 18 2.806 17.266 -3.102 131 H ILE 19 H ILE 19 2.137 14.911 -9.823 132 HA ILE 19 HA ILE 19 1.955 11.986 -10.151 133 HB ILE 19 HB ILE 19 1.404 14.322 -12.015 134 1HG1 ILE 19 1HG1 ILE 19 -0.221 13.335 -10.109 135 2HG1 ILE 19 2HG1 ILE 19 -0.543 12.075 -11.281 136 1HG2 ILE 19 1HG2 ILE 19 0.670 12.755 -13.830 137 2HG2 ILE 19 2HG2 ILE 19 2.393 12.558 -13.517 138 3HG2 ILE 19 3HG2 ILE 19 1.243 11.357 -12.887 139 1HD1 ILE 19 1HD1 ILE 19 -1.417 13.683 -12.953 140 2HD1 ILE 19 2HD1 ILE 19 -2.251 13.883 -11.398 141 3HD1 ILE 19 3HD1 ILE 19 -1.003 15.054 -11.887 142 H ALA 20 H ALA 20 4.206 14.511 -11.170 143 HA ALA 20 HA ALA 20 5.780 13.188 -13.165 144 1HB ALA 20 1HB ALA 20 7.606 14.779 -12.578 145 2HB ALA 20 2HB ALA 20 6.031 15.594 -12.643 146 3HB ALA 20 3HB ALA 20 6.776 15.222 -11.068 147 H GLU 21 H GLU 21 6.027 13.042 -9.623 148 HA GLU 21 HA GLU 21 8.592 11.723 -9.329 149 1HB GLU 21 1HB GLU 21 6.180 11.470 -7.454 150 2HB GLU 21 2HB GLU 21 7.833 11.043 -7.057 151 1HG GLU 21 1HG GLU 21 6.843 13.375 -6.277 152 2HG GLU 21 2HG GLU 21 7.123 13.905 -7.927 153 H PHE 22 H PHE 22 5.327 10.481 -9.879 154 HA PHE 22 HA PHE 22 6.015 7.598 -9.602 155 1HB PHE 22 1HB PHE 22 3.489 8.871 -10.825 156 2HB PHE 22 2HB PHE 22 3.704 7.176 -10.479 157 HD1 PHE 22 HD1 PHE 22 2.971 10.455 -8.959 158 HD2 PHE 22 HD2 PHE 22 3.904 6.346 -8.079 159 HE1 PHE 22 HE1 PHE 22 2.158 10.752 -6.658 160 HE2 PHE 22 HE2 PHE 22 3.088 6.665 -5.779 161 HZ PHE 22 HZ PHE 22 2.202 8.859 -5.068 162 H LYS 23 H LYS 23 5.703 9.947 -12.209 163 HA LYS 23 HA LYS 23 5.620 8.294 -14.599 164 1HB LYS 23 1HB LYS 23 6.388 11.110 -13.989 165 2HB LYS 23 2HB LYS 23 7.337 10.433 -15.294 166 1HG LYS 23 1HG LYS 23 5.140 11.711 -15.882 167 2HG LYS 23 2HG LYS 23 4.277 10.305 -15.283 168 1HD LYS 23 1HD LYS 23 4.360 9.600 -17.464 169 2HD LYS 23 2HD LYS 23 5.964 9.006 -17.021 170 1HE LYS 23 1HE LYS 23 6.282 10.250 -19.079 171 2HE LYS 23 2HE LYS 23 5.277 11.600 -18.533 172 1HZ LYS 23 1HZ LYS 23 7.834 11.799 -18.424 173 2HZ LYS 23 2HZ LYS 23 7.734 10.910 -17.034 174 3HZ LYS 23 3HZ LYS 23 6.958 12.365 -17.142 175 H ALA 24 H ALA 24 8.332 9.372 -12.569 176 HA ALA 24 HA ALA 24 10.584 8.490 -14.170 177 1HB ALA 24 1HB ALA 24 11.894 8.539 -12.057 178 2HB ALA 24 2HB ALA 24 10.860 9.972 -12.206 179 3HB ALA 24 3HB ALA 24 10.400 8.655 -11.097 180 H ALA 25 H ALA 25 9.009 6.833 -11.409 181 HA ALA 25 HA ALA 25 10.459 4.246 -11.971 182 1HB ALA 25 1HB ALA 25 9.462 3.475 -9.827 183 2HB ALA 25 2HB ALA 25 10.274 5.039 -9.629 184 3HB ALA 25 3HB ALA 25 8.494 4.964 -9.701 185 H PHE 26 H PHE 26 7.964 5.555 -13.497 186 HA PHE 26 HA PHE 26 5.986 3.267 -13.460 187 1HB PHE 26 1HB PHE 26 5.020 5.490 -13.648 188 2HB PHE 26 2HB PHE 26 6.049 5.935 -14.983 189 HD1 PHE 26 HD1 PHE 26 5.603 4.897 -17.297 190 HD2 PHE 26 HD2 PHE 26 2.971 4.179 -13.971 191 HE1 PHE 26 HE1 PHE 26 3.870 4.065 -18.834 192 HE2 PHE 26 HE2 PHE 26 1.252 3.345 -15.524 193 HZ PHE 26 HZ PHE 26 1.698 3.282 -17.953 194 H ASP 27 H ASP 27 8.431 4.757 -15.552 195 HA ASP 27 HA ASP 27 8.119 2.881 -17.840 196 1HB ASP 27 1HB ASP 27 10.561 3.873 -18.383 197 2HB ASP 27 2HB ASP 27 10.129 5.057 -17.171 198 H MET 28 H MET 28 10.457 3.260 -15.173 199 HA MET 28 HA MET 28 12.222 1.045 -15.591 200 1HB MET 28 1HB MET 28 12.627 2.591 -13.729 201 2HB MET 28 2HB MET 28 11.153 2.095 -12.916 202 1HG MET 28 1HG MET 28 13.784 0.565 -13.149 203 2HG MET 28 2HG MET 28 12.284 -0.347 -12.910 204 1HE MET 28 1HE MET 28 13.000 3.389 -11.665 205 2HE MET 28 2HE MET 28 13.655 3.083 -10.028 206 3HE MET 28 3HE MET 28 14.591 2.587 -11.469 207 H PHE 29 H PHE 29 9.049 1.080 -13.966 208 HA PHE 29 HA PHE 29 8.922 -1.784 -13.288 209 1HB PHE 29 1HB PHE 29 7.457 0.112 -12.300 210 2HB PHE 29 2HB PHE 29 6.495 0.044 -13.753 211 HD1 PHE 29 HD1 PHE 29 6.312 -2.924 -14.291 212 HD2 PHE 29 HD2 PHE 29 6.101 -0.787 -10.560 213 HE1 PHE 29 HE1 PHE 29 4.963 -4.737 -13.315 214 HE2 PHE 29 HE2 PHE 29 4.748 -2.608 -9.607 215 HZ PHE 29 HZ PHE 29 4.170 -4.577 -10.980 216 H ASP 30 H ASP 30 7.955 0.165 -16.079 217 HA ASP 30 HA ASP 30 6.551 -1.988 -17.573 218 1HB ASP 30 1HB ASP 30 7.704 0.414 -19.031 219 2HB ASP 30 2HB ASP 30 6.441 0.690 -17.853 220 H ALA 31 H ALA 31 7.314 -2.982 -19.499 221 HA ALA 31 HA ALA 31 10.242 -3.762 -19.399 222 1HB ALA 31 1HB ALA 31 9.560 -5.654 -20.880 223 2HB ALA 31 2HB ALA 31 8.567 -5.577 -19.411 224 3HB ALA 31 3HB ALA 31 7.898 -5.024 -20.968 225 H ASP 32 H ASP 32 7.814 -2.669 -21.781 226 HA ASP 32 HA ASP 32 9.906 -2.083 -23.890 227 1HB ASP 32 1HB ASP 32 8.288 -2.337 -25.421 228 2HB ASP 32 2HB ASP 32 7.290 -1.104 -24.687 229 H GLY 33 H GLY 33 7.095 -0.140 -22.861 230 1HA GLY 33 1HA GLY 33 7.782 1.935 -21.273 231 2HA GLY 33 2HA GLY 33 8.900 2.300 -22.568 232 H GLY 34 H GLY 34 5.595 1.027 -22.883 233 1HA GLY 34 1HA GLY 34 4.667 3.277 -24.653 234 2HA GLY 34 2HA GLY 34 3.698 1.885 -24.151 235 H GLY 35 H GLY 35 2.405 1.988 -22.413 236 1HA GLY 35 1HA GLY 35 2.446 4.165 -20.343 237 2HA GLY 35 2HA GLY 35 1.197 4.426 -21.569 238 H ASP 36 H ASP 36 2.270 1.231 -20.586 239 HA ASP 36 HA ASP 36 0.253 0.678 -18.513 240 1HB ASP 36 1HB ASP 36 -1.538 0.655 -19.990 241 2HB ASP 36 2HB ASP 36 -1.097 -1.036 -19.930 242 H ILE 37 H ILE 37 0.395 -1.469 -17.751 243 HA ILE 37 HA ILE 37 2.832 -3.071 -18.674 244 HB ILE 37 HB ILE 37 2.453 -3.207 -15.766 245 1HG1 ILE 37 1HG1 ILE 37 2.963 -0.451 -16.939 246 2HG1 ILE 37 2HG1 ILE 37 2.075 -0.912 -15.500 247 1HG2 ILE 37 1HG2 ILE 37 4.917 -3.205 -15.748 248 2HG2 ILE 37 2HG2 ILE 37 4.329 -4.282 -17.023 249 3HG2 ILE 37 3HG2 ILE 37 4.975 -2.679 -17.448 250 1HD1 ILE 37 1HD1 ILE 37 5.145 -0.851 -15.705 251 2HD1 ILE 37 2HD1 ILE 37 4.095 0.268 -14.810 252 3HD1 ILE 37 3HD1 ILE 37 4.234 -1.425 -14.282 253 H SER 38 H SER 38 2.195 -4.962 -19.300 254 HA SER 38 HA SER 38 -0.435 -6.175 -18.507 255 1HB SER 38 1HB SER 38 1.141 -6.330 -20.800 256 2HB SER 38 2HB SER 38 1.440 -7.900 -20.050 257 HG SER 38 HG SER 38 -0.397 -8.391 -20.841 258 H THR 39 H THR 39 0.416 -8.886 -18.557 259 HA THR 39 HA THR 39 1.182 -9.288 -15.693 260 HB THR 39 HB THR 39 1.107 -11.842 -16.565 261 HG1 THR 39 HG1 THR 39 -0.828 -10.681 -18.211 262 1HG2 THR 39 1HG2 THR 39 -1.261 -11.990 -15.933 263 2HG2 THR 39 2HG2 THR 39 -0.445 -10.864 -14.824 264 3HG2 THR 39 3HG2 THR 39 -1.487 -10.237 -16.129 265 H LYS 40 H LYS 40 2.473 -10.542 -18.802 266 HA LYS 40 HA LYS 40 4.949 -11.625 -17.911 267 1HB LYS 40 1HB LYS 40 4.263 -12.085 -20.123 268 2HB LYS 40 2HB LYS 40 4.123 -10.413 -20.600 269 1HG LYS 40 1HG LYS 40 6.680 -10.263 -20.474 270 2HG LYS 40 2HG LYS 40 6.066 -11.365 -21.678 271 1HD LYS 40 1HD LYS 40 7.686 -11.992 -19.185 272 2HD LYS 40 2HD LYS 40 6.438 -13.125 -19.611 273 1HE LYS 40 1HE LYS 40 8.583 -13.840 -20.567 274 2HE LYS 40 2HE LYS 40 7.383 -13.595 -21.829 275 1HZ LYS 40 1HZ LYS 40 8.474 -11.618 -22.507 276 2HZ LYS 40 2HZ LYS 40 9.707 -12.675 -22.203 277 3HZ LYS 40 3HZ LYS 40 9.355 -11.481 -21.116 278 H GLU 41 H GLU 41 4.160 -8.285 -18.862 279 HA GLU 41 HA GLU 41 6.803 -7.092 -18.802 280 1HB GLU 41 1HB GLU 41 5.811 -4.961 -18.869 281 2HB GLU 41 2HB GLU 41 4.380 -5.463 -17.995 282 1HG GLU 41 1HG GLU 41 4.788 -6.780 -20.695 283 2HG GLU 41 2HG GLU 41 3.310 -6.296 -19.891 284 H LEU 42 H LEU 42 4.370 -7.533 -16.251 285 HA LEU 42 HA LEU 42 5.711 -5.965 -14.143 286 1HB LEU 42 1HB LEU 42 3.322 -7.731 -14.335 287 2HB LEU 42 2HB LEU 42 3.537 -6.212 -13.492 288 HG LEU 42 HG LEU 42 4.341 -8.997 -12.457 289 1HD1 LEU 42 1HD1 LEU 42 5.054 -7.863 -10.335 290 2HD1 LEU 42 2HD1 LEU 42 6.062 -7.363 -11.702 291 3HD1 LEU 42 3HD1 LEU 42 4.800 -6.267 -11.086 292 1HD2 LEU 42 1HD2 LEU 42 2.222 -7.000 -11.409 293 2HD2 LEU 42 2HD2 LEU 42 1.887 -8.519 -12.278 294 3HD2 LEU 42 3HD2 LEU 42 2.637 -8.569 -10.672 295 H GLY 43 H GLY 43 5.750 -9.355 -15.141 296 1HA GLY 43 1HA GLY 43 7.230 -11.202 -14.603 297 2HA GLY 43 2HA GLY 43 6.983 -10.685 -12.932 298 H THR 44 H THR 44 8.411 -8.500 -15.255 299 HA THR 44 HA THR 44 11.224 -9.252 -14.947 300 HB THR 44 HB THR 44 9.762 -7.075 -16.321 301 HG1 THR 44 HG1 THR 44 11.066 -9.076 -16.969 302 1HG2 THR 44 1HG2 THR 44 11.748 -5.592 -16.656 303 2HG2 THR 44 2HG2 THR 44 11.188 -5.544 -14.971 304 3HG2 THR 44 3HG2 THR 44 12.642 -6.482 -15.399 305 H VAL 45 H VAL 45 9.854 -6.120 -13.945 306 HA VAL 45 HA VAL 45 11.942 -5.348 -12.145 307 HB VAL 45 HB VAL 45 9.283 -4.321 -12.779 308 1HG1 VAL 45 1HG1 VAL 45 8.816 -3.046 -10.685 309 2HG1 VAL 45 2HG1 VAL 45 8.695 -4.784 -10.386 310 3HG1 VAL 45 3HG1 VAL 45 10.136 -3.897 -9.840 311 1HG2 VAL 45 1HG2 VAL 45 11.788 -2.889 -11.668 312 2HG2 VAL 45 2HG2 VAL 45 11.397 -3.114 -13.388 313 3HG2 VAL 45 3HG2 VAL 45 10.358 -2.097 -12.380 314 H MET 46 H MET 46 8.884 -7.055 -11.444 315 HA MET 46 HA MET 46 8.944 -7.207 -8.590 316 1HB MET 46 1HB MET 46 7.054 -8.042 -10.103 317 2HB MET 46 2HB MET 46 7.391 -8.979 -8.659 318 1HG MET 46 1HG MET 46 7.913 -9.749 -11.568 319 2HG MET 46 2HG MET 46 8.884 -10.501 -10.291 320 1HE MET 46 1HE MET 46 7.076 -10.770 -7.739 321 2HE MET 46 2HE MET 46 6.235 -12.322 -8.023 322 3HE MET 46 3HE MET 46 7.972 -12.167 -8.414 323 NH1 ARG 47 NH1 ARG 47 13.216 -11.074 -14.761 324 NH2 ARG 47 NH2 ARG 47 11.672 -12.628 -15.366 325 H ARG 47 H ARG 47 10.537 -9.301 -10.980 326 HA ARG 47 HA ARG 47 11.796 -11.252 -9.238 327 1HB ARG 47 1HB ARG 47 11.712 -11.062 -11.908 328 2HB ARG 47 2HB ARG 47 13.253 -10.240 -11.704 329 1HG ARG 47 1HG ARG 47 12.610 -13.099 -10.761 330 2HG ARG 47 2HG ARG 47 14.102 -12.252 -10.352 331 1HD ARG 47 1HD ARG 47 14.669 -12.013 -12.816 332 2HD ARG 47 2HD ARG 47 14.535 -13.685 -12.295 333 HE ARG 47 HE ARG 47 12.361 -13.915 -13.462 334 1HH1 ARG 47 1HH1 ARG 47 13.948 -10.794 -14.099 335 2HH1 ARG 47 2HH1 ARG 47 12.898 -10.550 -15.583 336 1HH2 ARG 47 1HH2 ARG 47 11.225 -13.530 -15.168 337 2HH2 ARG 47 2HH2 ARG 47 11.462 -11.996 -16.146 338 H MET 48 H MET 48 13.053 -8.165 -10.522 339 HA MET 48 HA MET 48 15.671 -8.083 -9.376 340 1HB MET 48 1HB MET 48 13.785 -5.972 -10.329 341 2HB MET 48 2HB MET 48 14.891 -5.412 -9.089 342 1HG MET 48 1HG MET 48 16.651 -6.795 -10.792 343 2HG MET 48 2HG MET 48 15.463 -6.140 -11.931 344 1HE MET 48 1HE MET 48 14.471 -3.419 -11.412 345 2HE MET 48 2HE MET 48 15.837 -2.336 -11.809 346 3HE MET 48 3HE MET 48 15.502 -3.762 -12.835 347 H LEU 49 H LEU 49 12.545 -7.545 -7.857 348 HA LEU 49 HA LEU 49 13.144 -6.165 -5.441 349 1HB LEU 49 1HB LEU 49 11.222 -8.560 -5.603 350 2HB LEU 49 2HB LEU 49 10.840 -6.976 -6.242 351 HG LEU 49 HG LEU 49 11.512 -6.275 -3.641 352 1HD1 LEU 49 1HD1 LEU 49 9.056 -6.085 -3.238 353 2HD1 LEU 49 2HD1 LEU 49 9.465 -5.549 -4.878 354 3HD1 LEU 49 3HD1 LEU 49 8.718 -7.147 -4.629 355 1HD2 LEU 49 1HD2 LEU 49 10.180 -9.060 -3.424 356 2HD2 LEU 49 2HD2 LEU 49 11.813 -8.631 -2.857 357 3HD2 LEU 49 3HD2 LEU 49 10.396 -7.905 -2.084 358 H GLY 50 H GLY 50 13.144 -9.720 -5.871 359 1HA GLY 50 1HA GLY 50 15.598 -10.589 -4.953 360 2HA GLY 50 2HA GLY 50 14.892 -10.098 -3.407 361 H GLN 51 H GLN 51 13.671 -11.819 -6.290 362 HA GLN 51 HA GLN 51 13.087 -14.358 -4.758 363 1HB GLN 51 1HB GLN 51 10.554 -13.851 -5.914 364 2HB GLN 51 2HB GLN 51 10.996 -12.310 -5.201 365 1HG GLN 51 1HG GLN 51 10.914 -13.099 -3.006 366 2HG GLN 51 2HG GLN 51 11.423 -14.720 -3.424 367 1HE2 GLN 51 1HE2 GLN 51 7.385 -13.795 -3.429 368 2HE2 GLN 51 2HE2 GLN 51 8.660 -12.476 -3.468 369 H ASN 52 H ASN 52 11.325 -15.461 -6.565 370 HA ASN 52 HA ASN 52 12.334 -15.036 -9.363 371 1HB ASN 52 1HB ASN 52 12.486 -17.906 -8.347 372 2HB ASN 52 2HB ASN 52 13.809 -16.815 -7.996 373 1HD2 ASN 52 1HD2 ASN 52 15.143 -17.789 -11.193 374 2HD2 ASN 52 2HD2 ASN 52 15.362 -17.596 -9.382 375 HA PRO 53 HA PRO 53 7.751 -16.171 -9.007 376 1HB PRO 53 1HB PRO 53 6.702 -14.372 -10.815 377 2HB PRO 53 2HB PRO 53 7.231 -13.941 -9.182 378 1HG PRO 53 1HG PRO 53 8.762 -13.569 -11.800 379 2HG PRO 53 2HG PRO 53 8.549 -12.396 -10.480 380 1HD PRO 53 1HD PRO 53 10.297 -13.412 -9.182 381 2HD PRO 53 2HD PRO 53 10.828 -14.034 -10.772 382 H THR 54 H THR 54 6.065 -16.580 -10.915 383 HA THR 54 HA THR 54 7.387 -18.048 -13.247 384 HB THR 54 HB THR 54 6.532 -19.511 -11.179 385 HG1 THR 54 HG1 THR 54 5.750 -20.511 -13.636 386 1HG2 THR 54 1HG2 THR 54 4.303 -20.515 -11.554 387 2HG2 THR 54 2HG2 THR 54 4.130 -18.776 -11.223 388 3HG2 THR 54 3HG2 THR 54 3.970 -19.386 -12.890 389 H LYS 55 H LYS 55 5.994 -18.355 -15.062 390 HA LYS 55 HA LYS 55 4.631 -15.892 -15.843 391 1HB LYS 55 1HB LYS 55 5.592 -18.251 -17.179 392 2HB LYS 55 2HB LYS 55 5.103 -16.726 -17.887 393 1HG LYS 55 1HG LYS 55 2.635 -17.753 -17.705 394 2HG LYS 55 2HG LYS 55 3.686 -18.090 -19.069 395 1HD LYS 55 1HD LYS 55 2.812 -20.251 -18.462 396 2HD LYS 55 2HD LYS 55 2.891 -19.898 -16.743 397 1HE LYS 55 1HE LYS 55 5.540 -20.021 -18.204 398 2HE LYS 55 2HE LYS 55 5.167 -20.480 -16.544 399 1HZ LYS 55 1HZ LYS 55 4.166 -22.034 -18.883 400 2HZ LYS 55 2HZ LYS 55 4.219 -22.516 -17.304 401 3HZ LYS 55 3HZ LYS 55 5.620 -22.345 -18.163 402 H GLU 56 H GLU 56 3.518 -19.071 -14.770 403 HA GLU 56 HA GLU 56 0.661 -18.752 -15.342 404 1HB GLU 56 1HB GLU 56 0.894 -20.585 -13.165 405 2HB GLU 56 2HB GLU 56 2.370 -20.782 -14.089 406 1HG GLU 56 1HG GLU 56 0.950 -21.141 -16.198 407 2HG GLU 56 2HG GLU 56 0.788 -22.379 -14.965 408 H GLU 57 H GLU 57 2.712 -18.051 -12.547 409 HA GLU 57 HA GLU 57 0.564 -17.487 -10.593 410 1HB GLU 57 1HB GLU 57 3.452 -16.505 -10.431 411 2HB GLU 57 2HB GLU 57 2.958 -18.136 -10.032 412 1HG GLU 57 1HG GLU 57 3.254 -16.412 -8.078 413 2HG GLU 57 2HG GLU 57 1.735 -15.690 -8.593 414 H LEU 58 H LEU 58 2.384 -15.600 -12.944 415 HA LEU 58 HA LEU 58 1.888 -12.915 -12.034 416 1HB LEU 58 1HB LEU 58 2.513 -14.123 -14.759 417 2HB LEU 58 2HB LEU 58 2.079 -12.428 -14.662 418 HG LEU 58 HG LEU 58 4.333 -13.639 -12.945 419 1HD1 LEU 58 1HD1 LEU 58 5.974 -12.744 -14.644 420 2HD1 LEU 58 2HD1 LEU 58 4.977 -14.035 -15.331 421 3HD1 LEU 58 3HD1 LEU 58 4.629 -12.338 -15.741 422 1HD2 LEU 58 1HD2 LEU 58 3.747 -10.721 -13.773 423 2HD2 LEU 58 2HD2 LEU 58 3.451 -11.434 -12.168 424 3HD2 LEU 58 3HD2 LEU 58 5.112 -11.273 -12.769 425 H ASP 59 H ASP 59 -0.077 -15.155 -13.912 426 HA ASP 59 HA ASP 59 -2.126 -13.394 -14.952 427 1HB ASP 59 1HB ASP 59 -2.350 -16.366 -14.216 428 2HB ASP 59 2HB ASP 59 -1.920 -15.695 -15.772 429 H ALA 60 H ALA 60 -1.817 -15.054 -11.834 430 HA ALA 60 HA ALA 60 -4.468 -14.213 -10.764 431 1HB ALA 60 1HB ALA 60 -3.686 -15.238 -8.634 432 2HB ALA 60 2HB ALA 60 -3.422 -16.324 -10.011 433 3HB ALA 60 3HB ALA 60 -2.047 -15.442 -9.297 434 H ILE 61 H ILE 61 -1.146 -13.059 -10.638 435 HA ILE 61 HA ILE 61 -1.305 -11.248 -8.347 436 HB ILE 61 HB ILE 61 0.639 -11.673 -10.573 437 1HG1 ILE 61 1HG1 ILE 61 1.673 -12.641 -8.785 438 2HG1 ILE 61 2HG1 ILE 61 0.543 -11.935 -7.650 439 1HG2 ILE 61 1HG2 ILE 61 1.932 -9.560 -10.160 440 2HG2 ILE 61 2HG2 ILE 61 0.344 -9.194 -10.830 441 3HG2 ILE 61 3HG2 ILE 61 0.641 -8.957 -9.092 442 1HD1 ILE 61 1HD1 ILE 61 1.880 -9.858 -7.426 443 2HD1 ILE 61 2HD1 ILE 61 2.885 -11.290 -7.118 444 3HD1 ILE 61 3HD1 ILE 61 3.023 -10.433 -8.671 445 H ILE 62 H ILE 62 -1.999 -10.903 -11.802 446 HA ILE 62 HA ILE 62 -2.534 -7.968 -11.729 447 HB ILE 62 HB ILE 62 -2.603 -10.097 -13.843 448 1HG1 ILE 62 1HG1 ILE 62 -0.593 -8.652 -13.593 449 2HG1 ILE 62 2HG1 ILE 62 -1.557 -7.197 -13.737 450 1HG2 ILE 62 1HG2 ILE 62 -3.877 -8.691 -15.487 451 2HG2 ILE 62 2HG2 ILE 62 -4.915 -9.143 -14.137 452 3HG2 ILE 62 3HG2 ILE 62 -4.243 -7.499 -14.216 453 1HD1 ILE 62 1HD1 ILE 62 -2.088 -7.636 -16.118 454 2HD1 ILE 62 2HD1 ILE 62 -0.334 -7.689 -15.847 455 3HD1 ILE 62 3HD1 ILE 62 -1.242 -9.206 -16.042 456 H GLU 63 H GLU 63 -4.368 -10.985 -11.571 457 HA GLU 63 HA GLU 63 -7.078 -10.173 -11.756 458 1HB GLU 63 1HB GLU 63 -6.153 -12.137 -9.602 459 2HB GLU 63 2HB GLU 63 -6.129 -12.540 -11.307 460 1HG GLU 63 1HG GLU 63 -8.770 -11.472 -10.279 461 2HG GLU 63 2HG GLU 63 -8.456 -12.746 -11.445 462 H GLU 64 H GLU 64 -5.027 -10.116 -8.826 463 HA GLU 64 HA GLU 64 -6.995 -8.888 -7.040 464 1HB GLU 64 1HB GLU 64 -4.297 -9.889 -6.817 465 2HB GLU 64 2HB GLU 64 -4.301 -8.276 -6.132 466 1HG GLU 64 1HG GLU 64 -6.294 -8.984 -4.651 467 2HG GLU 64 2HG GLU 64 -4.761 -9.765 -4.306 468 H VAL 65 H VAL 65 -4.518 -7.626 -9.206 469 HA VAL 65 HA VAL 65 -5.113 -4.747 -8.400 470 HB VAL 65 HB VAL 65 -3.064 -4.091 -9.593 471 1HG1 VAL 65 1HG1 VAL 65 -1.400 -5.058 -7.995 472 2HG1 VAL 65 2HG1 VAL 65 -2.909 -4.646 -7.160 473 3HG1 VAL 65 3HG1 VAL 65 -2.542 -6.346 -7.540 474 1HG2 VAL 65 1HG2 VAL 65 -2.547 -7.093 -10.151 475 2HG2 VAL 65 2HG2 VAL 65 -2.870 -5.837 -11.370 476 3HG2 VAL 65 3HG2 VAL 65 -1.384 -5.770 -10.411 477 H ASP 66 H ASP 66 -7.068 -6.196 -9.786 478 HA ASP 66 HA ASP 66 -7.379 -4.491 -12.272 479 1HB ASP 66 1HB ASP 66 -7.713 -7.535 -12.501 480 2HB ASP 66 2HB ASP 66 -6.268 -6.681 -12.994 481 H GLU 67 H GLU 67 -8.728 -3.669 -10.439 482 HA GLU 67 HA GLU 67 -11.293 -5.089 -9.780 483 1HB GLU 67 1HB GLU 67 -9.824 -3.188 -8.440 484 2HB GLU 67 2HB GLU 67 -11.043 -2.159 -9.166 485 1HG GLU 67 1HG GLU 67 -12.065 -4.659 -7.773 486 2HG GLU 67 2HG GLU 67 -12.793 -3.065 -7.878 487 H ASP 68 H ASP 68 -10.075 -2.716 -12.055 488 HA ASP 68 HA ASP 68 -12.758 -1.790 -13.014 489 1HB ASP 68 1HB ASP 68 -10.529 -0.399 -13.043 490 2HB ASP 68 2HB ASP 68 -11.716 -0.204 -14.313 491 H GLY 69 H GLY 69 -10.256 -4.080 -14.002 492 1HA GLY 69 1HA GLY 69 -12.185 -5.558 -15.798 493 2HA GLY 69 2HA GLY 69 -10.569 -6.111 -15.339 494 H SER 70 H SER 70 -8.931 -5.862 -16.677 495 HA SER 70 HA SER 70 -9.336 -4.820 -19.457 496 1HB SER 70 1HB SER 70 -7.262 -3.200 -19.162 497 2HB SER 70 2HB SER 70 -8.895 -2.657 -18.767 498 HG SER 70 HG SER 70 -7.826 -2.152 -17.020 499 H GLY 71 H GLY 71 -6.965 -5.729 -16.942 500 1HA GLY 71 1HA GLY 71 -5.732 -7.976 -17.189 501 2HA GLY 71 2HA GLY 71 -5.613 -7.641 -18.921 502 H THR 72 H THR 72 -5.015 -4.809 -18.553 503 HA THR 72 HA THR 72 -2.034 -5.087 -18.056 504 HB THR 72 HB THR 72 -2.207 -2.601 -19.152 505 HG1 THR 72 HG1 THR 72 -4.284 -2.492 -19.555 506 1HG2 THR 72 1HG2 THR 72 -1.656 -3.542 -21.358 507 2HG2 THR 72 2HG2 THR 72 -0.785 -4.459 -20.110 508 3HG2 THR 72 3HG2 THR 72 -2.229 -5.158 -20.888 509 H ILE 73 H ILE 73 -1.249 -2.577 -17.511 510 HA ILE 73 HA ILE 73 -2.718 -1.623 -15.006 511 HB ILE 73 HB ILE 73 0.301 -2.125 -15.062 512 1HG1 ILE 73 1HG1 ILE 73 -1.512 -4.181 -14.857 513 2HG1 ILE 73 2HG1 ILE 73 0.057 -4.183 -14.080 514 1HG2 ILE 73 1HG2 ILE 73 0.281 -1.512 -12.647 515 2HG2 ILE 73 2HG2 ILE 73 -0.393 -0.182 -13.600 516 3HG2 ILE 73 3HG2 ILE 73 -1.478 -1.251 -12.679 517 1HD1 ILE 73 1HD1 ILE 73 -2.565 -3.427 -12.664 518 2HD1 ILE 73 2HD1 ILE 73 -1.605 -4.907 -12.454 519 3HD1 ILE 73 3HD1 ILE 73 -0.943 -3.343 -11.922 520 H ASP 74 H ASP 74 -3.377 -0.216 -16.857 521 HA ASP 74 HA ASP 74 -1.622 1.652 -18.215 522 1HB ASP 74 1HB ASP 74 -3.580 1.975 -19.270 523 2HB ASP 74 2HB ASP 74 -3.923 3.154 -18.025 524 H PHE 75 H PHE 75 -1.490 3.998 -17.817 525 HA PHE 75 HA PHE 75 -0.294 4.603 -15.199 526 1HB PHE 75 1HB PHE 75 -1.214 6.692 -17.260 527 2HB PHE 75 2HB PHE 75 0.214 5.721 -17.498 528 HD1 PHE 75 HD1 PHE 75 2.056 5.808 -15.560 529 HD2 PHE 75 HD2 PHE 75 -1.071 8.733 -15.996 530 HE1 PHE 75 HE1 PHE 75 3.353 7.411 -14.218 531 HE2 PHE 75 HE2 PHE 75 0.246 10.324 -14.653 532 HZ PHE 75 HZ PHE 75 2.443 9.659 -13.743 533 H GLU 76 H GLU 76 -3.506 4.906 -16.563 534 HA GLU 76 HA GLU 76 -4.561 6.616 -14.294 535 1HB GLU 76 1HB GLU 76 -6.810 6.151 -15.675 536 2HB GLU 76 2HB GLU 76 -5.684 7.440 -16.042 537 1HG GLU 76 1HG GLU 76 -4.601 5.714 -17.761 538 2HG GLU 76 2HG GLU 76 -6.081 4.805 -17.539 539 H GLU 77 H GLU 77 -3.528 4.216 -13.461 540 HA GLU 77 HA GLU 77 -5.867 2.975 -12.056 541 1HB GLU 77 1HB GLU 77 -6.096 1.521 -13.874 542 2HB GLU 77 2HB GLU 77 -4.377 1.422 -14.183 543 1HG GLU 77 1HG GLU 77 -4.004 -0.108 -12.313 544 2HG GLU 77 2HG GLU 77 -5.596 0.207 -11.632 545 H PHE 78 H PHE 78 -2.401 2.824 -12.828 546 HA PHE 78 HA PHE 78 -1.417 1.471 -10.478 547 1HB PHE 78 1HB PHE 78 0.000 1.927 -12.478 548 2HB PHE 78 2HB PHE 78 -0.017 3.644 -12.165 549 HD1 PHE 78 HD1 PHE 78 1.182 0.328 -10.827 550 HD2 PHE 78 HD2 PHE 78 1.574 4.604 -10.558 551 HE1 PHE 78 HE1 PHE 78 3.252 0.068 -9.520 552 HE2 PHE 78 HE2 PHE 78 3.645 4.324 -9.259 553 HZ PHE 78 HZ PHE 78 4.489 2.061 -8.740 554 H LEU 79 H LEU 79 -2.210 4.866 -11.061 555 HA LEU 79 HA LEU 79 -1.138 5.994 -8.565 556 1HB LEU 79 1HB LEU 79 -3.061 6.998 -10.699 557 2HB LEU 79 2HB LEU 79 -3.015 7.849 -9.171 558 HG LEU 79 HG LEU 79 -0.346 7.894 -9.619 559 1HD1 LEU 79 1HD1 LEU 79 0.199 8.115 -12.045 560 2HD1 LEU 79 2HD1 LEU 79 -0.412 6.489 -11.688 561 3HD1 LEU 79 3HD1 LEU 79 -1.470 7.677 -12.488 562 1HD2 LEU 79 1HD2 LEU 79 -2.328 9.787 -11.055 563 2HD2 LEU 79 2HD2 LEU 79 -1.734 9.960 -9.384 564 3HD2 LEU 79 3HD2 LEU 79 -0.608 10.132 -10.739 565 H VAL 80 H VAL 80 -4.408 4.989 -9.578 566 HA VAL 80 HA VAL 80 -5.892 5.585 -7.177 567 HB VAL 80 HB VAL 80 -6.340 3.631 -9.432 568 1HG1 VAL 80 1HG1 VAL 80 -8.458 2.772 -8.410 569 2HG1 VAL 80 2HG1 VAL 80 -7.053 2.256 -7.469 570 3HG1 VAL 80 3HG1 VAL 80 -8.070 3.588 -6.873 571 1HG2 VAL 80 1HG2 VAL 80 -8.149 5.842 -8.256 572 2HG2 VAL 80 2HG2 VAL 80 -7.117 6.019 -9.694 573 3HG2 VAL 80 3HG2 VAL 80 -8.473 4.881 -9.719 574 H MET 81 H MET 81 -3.829 2.850 -8.043 575 HA MET 81 HA MET 81 -4.372 0.986 -5.864 576 1HB MET 81 1HB MET 81 -2.891 0.602 -7.985 577 2HB MET 81 2HB MET 81 -1.596 1.378 -7.091 578 1HG MET 81 1HG MET 81 -1.795 -0.388 -5.266 579 2HG MET 81 2HG MET 81 -1.351 -1.043 -6.851 580 1HE MET 81 1HE MET 81 -2.432 -2.966 -7.916 581 2HE MET 81 2HE MET 81 -4.192 -3.288 -7.931 582 3HE MET 81 3HE MET 81 -3.554 -1.797 -8.682 583 H MET 82 H MET 82 -1.659 3.300 -6.161 584 HA MET 82 HA MET 82 -0.762 3.012 -3.371 585 1HB MET 82 1HB MET 82 0.584 5.184 -3.960 586 2HB MET 82 2HB MET 82 -0.069 5.016 -5.579 587 1HG MET 82 1HG MET 82 2.076 3.935 -5.658 588 2HG MET 82 2HG MET 82 0.901 2.614 -5.638 589 1HE MET 82 1HE MET 82 1.442 4.361 -1.833 590 2HE MET 82 2HE MET 82 2.364 5.133 -3.157 591 3HE MET 82 3HE MET 82 3.221 4.162 -1.924 592 H VAL 83 H VAL 83 -3.333 4.798 -4.786 593 HA VAL 83 HA VAL 83 -3.339 7.168 -3.010 594 HB VAL 83 HB VAL 83 -4.693 6.463 -5.385 595 1HG1 VAL 83 1HG1 VAL 83 -5.226 8.995 -3.710 596 2HG1 VAL 83 2HG1 VAL 83 -3.750 8.753 -4.655 597 3HG1 VAL 83 3HG1 VAL 83 -5.325 8.814 -5.481 598 1HG2 VAL 83 1HG2 VAL 83 -7.076 6.854 -5.036 599 2HG2 VAL 83 2HG2 VAL 83 -6.620 5.537 -3.932 600 3HG2 VAL 83 3HG2 VAL 83 -6.850 7.172 -3.297 601 NH1 ARG 84 NH1 ARG 84 -9.220 -0.773 -2.238 602 NH2 ARG 84 NH2 ARG 84 -7.404 -2.127 -2.409 603 H ARG 84 H ARG 84 -5.001 4.031 -3.105 604 HA ARG 84 HA ARG 84 -6.907 4.460 -0.886 605 1HB ARG 84 1HB ARG 84 -5.777 1.801 -1.960 606 2HB ARG 84 2HB ARG 84 -7.135 1.971 -0.858 607 1HG ARG 84 1HG ARG 84 -7.264 3.434 -3.531 608 2HG ARG 84 2HG ARG 84 -8.592 2.889 -2.503 609 1HD ARG 84 1HD ARG 84 -7.123 1.404 -4.628 610 2HD ARG 84 2HD ARG 84 -8.749 1.129 -4.001 611 HE ARG 84 HE ARG 84 -6.203 0.068 -2.656 612 1HH1 ARG 84 1HH1 ARG 84 -6.416 -2.223 -2.670 613 2HH1 ARG 84 2HH1 ARG 84 -8.020 -2.864 -2.048 614 1HH2 ARG 84 1HH2 ARG 84 -9.630 0.151 -2.409 615 2HH2 ARG 84 2HH2 ARG 84 -9.697 -1.596 -1.852 616 H GLN 85 H GLN 85 -3.588 3.255 -1.138 617 HA GLN 85 HA GLN 85 -3.315 2.396 1.720 618 1HB GLN 85 1HB GLN 85 -1.389 2.639 -0.630 619 2HB GLN 85 2HB GLN 85 -0.753 2.501 0.998 620 1HG GLN 85 1HG GLN 85 -2.598 0.405 0.993 621 2HG GLN 85 2HG GLN 85 -2.133 0.430 -0.694 622 1HE2 GLN 85 1HE2 GLN 85 0.283 -1.856 1.050 623 2HE2 GLN 85 2HE2 GLN 85 -1.470 -1.799 0.512 624 H MET 86 H MET 86 -2.709 5.253 -0.244 625 HA MET 86 HA MET 86 -0.909 6.817 1.324 626 1HB MET 86 1HB MET 86 -2.760 7.379 -0.851 627 2HB MET 86 2HB MET 86 -2.949 8.634 0.359 628 1HG MET 86 1HG MET 86 -0.709 8.194 -1.531 629 2HG MET 86 2HG MET 86 -0.121 8.389 0.128 630 1HE MET 86 1HE MET 86 -3.410 9.867 -1.704 631 2HE MET 86 2HE MET 86 -2.810 11.498 -2.126 632 3HE MET 86 3HE MET 86 -2.094 10.057 -2.905 633 H LYS 87 H LYS 87 -4.356 6.223 1.766 634 HA LYS 87 HA LYS 87 -4.591 7.911 4.267 635 1HB LYS 87 1HB LYS 87 -6.620 5.893 3.122 636 2HB LYS 87 2HB LYS 87 -6.893 7.007 4.453 637 1HG LYS 87 1HG LYS 87 -6.978 7.524 1.526 638 2HG LYS 87 2HG LYS 87 -6.057 8.748 2.384 639 1HD LYS 87 1HD LYS 87 -8.111 8.956 3.996 640 2HD LYS 87 2HD LYS 87 -8.239 9.611 2.367 641 1HE LYS 87 1HE LYS 87 -9.368 7.312 1.695 642 2HE LYS 87 2HE LYS 87 -9.526 7.020 3.432 643 1HZ LYS 87 1HZ LYS 87 -11.089 8.636 3.633 644 2HZ LYS 87 2HZ LYS 87 -11.344 8.329 2.029 645 3HZ LYS 87 3HZ LYS 87 -10.438 9.632 2.487 646 H GLU 88 H GLU 88 -3.448 7.162 5.908 647 HA GLU 88 HA GLU 88 -4.140 4.638 7.279 648 1HB GLU 88 1HB GLU 88 -2.836 3.456 5.701 649 2HB GLU 88 2HB GLU 88 -1.566 4.663 5.654 650 1HG GLU 88 1HG GLU 88 -2.051 3.195 8.291 651 2HG GLU 88 2HG GLU 88 -0.565 3.901 7.679 652 H ASP 89 H ASP 89 -1.326 6.811 6.835 653 HA ASP 89 HA ASP 89 -1.611 7.778 9.724 654 1HB ASP 89 1HB ASP 89 0.835 6.526 8.463 655 2HB ASP 89 2HB ASP 89 1.104 7.924 9.478 656 H ALA 90 H ALA 90 -0.708 9.861 10.094 657 HA ALA 90 HA ALA 90 0.230 11.668 7.935 658 1HB ALA 90 1HB ALA 90 -1.771 13.174 7.803 659 2HB ALA 90 2HB ALA 90 -2.166 11.552 7.201 660 3HB ALA 90 3HB ALA 90 -2.717 12.057 8.817 Start of MODEL 20 Raw file had 660 H/Q atoms Start of MODEL 20 1 1H ALA 1 1H ALA 1 -19.582 16.400 -18.276 2 2H ALA 1 2H ALA 1 -19.580 16.685 -16.619 3 3H ALA 1 3H ALA 1 -18.167 16.199 -17.391 4 HA ALA 1 HA ALA 1 -19.756 14.577 -16.046 5 1HB ALA 1 1HB ALA 1 -20.950 14.944 -18.799 6 2HB ALA 1 2HB ALA 1 -21.738 14.512 -17.269 7 3HB ALA 1 3HB ALA 1 -20.865 13.269 -18.202 8 H SER 2 H SER 2 -18.790 12.584 -15.981 9 HA SER 2 HA SER 2 -16.622 11.909 -18.048 10 1HB SER 2 1HB SER 2 -16.447 11.687 -14.999 11 2HB SER 2 2HB SER 2 -15.351 10.829 -16.084 12 HG SER 2 HG SER 2 -14.333 12.645 -15.884 13 H MET 3 H MET 3 -15.941 9.457 -17.346 14 HA MET 3 HA MET 3 -18.498 7.802 -17.661 15 1HB MET 3 1HB MET 3 -15.667 7.156 -18.664 16 2HB MET 3 2HB MET 3 -17.077 6.133 -18.876 17 1HG MET 3 1HG MET 3 -18.160 8.193 -20.138 18 2HG MET 3 2HG MET 3 -16.524 8.866 -20.157 19 1HE MET 3 1HE MET 3 -14.382 6.165 -21.903 20 2HE MET 3 2HE MET 3 -14.481 7.434 -20.646 21 3HE MET 3 3HE MET 3 -14.626 7.878 -22.372 22 H THR 4 H THR 4 -15.130 7.011 -16.790 23 HA THR 4 HA THR 4 -16.123 5.352 -14.459 24 HB THR 4 HB THR 4 -13.548 5.207 -16.045 25 HG1 THR 4 HG1 THR 4 -15.961 4.095 -16.087 26 1HG2 THR 4 1HG2 THR 4 -12.829 4.622 -13.745 27 2HG2 THR 4 2HG2 THR 4 -12.926 3.150 -14.737 28 3HG2 THR 4 3HG2 THR 4 -14.203 3.514 -13.548 29 H ASP 5 H ASP 5 -16.173 6.359 -12.595 30 HA ASP 5 HA ASP 5 -14.408 8.712 -11.942 31 1HB ASP 5 1HB ASP 5 -16.833 7.486 -10.538 32 2HB ASP 5 2HB ASP 5 -15.808 8.641 -9.715 33 H GLN 6 H GLN 6 -13.442 5.804 -12.094 34 HA GLN 6 HA GLN 6 -12.394 5.257 -9.308 35 1HB GLN 6 1HB GLN 6 -12.748 3.197 -10.256 36 2HB GLN 6 2HB GLN 6 -12.503 3.764 -11.897 37 1HG GLN 6 1HG GLN 6 -10.156 3.390 -9.948 38 2HG GLN 6 2HG GLN 6 -10.054 3.663 -11.673 39 1HE2 GLN 6 1HE2 GLN 6 -9.725 0.103 -11.977 40 2HE2 GLN 6 2HE2 GLN 6 -9.009 1.773 -12.232 41 H GLN 7 H GLN 7 -11.235 6.267 -12.517 42 HA GLN 7 HA GLN 7 -8.382 6.664 -11.565 43 1HB GLN 7 1HB GLN 7 -9.527 7.272 -14.364 44 2HB GLN 7 2HB GLN 7 -7.836 7.193 -13.891 45 1HG GLN 7 1HG GLN 7 -7.701 4.946 -14.160 46 2HG GLN 7 2HG GLN 7 -9.167 4.630 -13.245 47 1HE2 GLN 7 1HE2 GLN 7 -11.187 5.145 -16.423 48 2HE2 GLN 7 2HE2 GLN 7 -11.144 5.857 -14.732 49 H ALA 8 H ALA 8 -11.232 8.506 -12.553 50 HA ALA 8 HA ALA 8 -10.271 11.161 -12.895 51 1HB ALA 8 1HB ALA 8 -12.518 11.947 -12.165 52 2HB ALA 8 2HB ALA 8 -12.643 10.537 -13.234 53 3HB ALA 8 3HB ALA 8 -12.891 10.347 -11.479 54 H GLU 9 H GLU 9 -10.651 9.311 -9.929 55 HA GLU 9 HA GLU 9 -10.420 11.530 -7.993 56 1HB GLU 9 1HB GLU 9 -10.448 8.512 -7.783 57 2HB GLU 9 2HB GLU 9 -9.614 9.366 -6.493 58 1HG GLU 9 1HG GLU 9 -12.413 8.916 -6.671 59 2HG GLU 9 2HG GLU 9 -12.257 10.631 -7.032 60 H ALA 10 H ALA 10 -8.116 9.168 -9.327 61 HA ALA 10 HA ALA 10 -5.814 9.971 -7.647 62 1HB ALA 10 1HB ALA 10 -4.489 8.464 -9.122 63 2HB ALA 10 2HB ALA 10 -5.991 7.685 -8.589 64 3HB ALA 10 3HB ALA 10 -5.856 8.313 -10.252 65 NH1 ARG 11 NH1 ARG 11 -5.112 13.331 -16.782 66 NH2 ARG 11 NH2 ARG 11 -3.693 11.736 -17.557 67 H ARG 11 H ARG 11 -7.119 10.978 -10.738 68 HA ARG 11 HA ARG 11 -4.678 12.324 -11.822 69 1HB ARG 11 1HB ARG 11 -7.612 12.661 -12.703 70 2HB ARG 11 2HB ARG 11 -6.189 13.226 -13.566 71 1HG ARG 11 1HG ARG 11 -5.509 10.564 -13.336 72 2HG ARG 11 2HG ARG 11 -7.268 10.416 -13.354 73 1HD ARG 11 1HD ARG 11 -7.033 10.446 -15.642 74 2HD ARG 11 2HD ARG 11 -6.963 12.199 -15.456 75 HE ARG 11 HE ARG 11 -4.380 10.553 -15.442 76 1HH1 ARG 11 1HH1 ARG 11 -5.843 13.588 -16.110 77 2HH1 ARG 11 2HH1 ARG 11 -4.718 13.926 -17.519 78 1HH2 ARG 11 1HH2 ARG 11 -3.322 10.784 -17.459 79 2HH2 ARG 11 2HH2 ARG 11 -3.420 12.433 -18.258 80 H ALA 12 H ALA 12 -7.579 13.249 -10.022 81 HA ALA 12 HA ALA 12 -7.173 16.200 -10.193 82 1HB ALA 12 1HB ALA 12 -9.063 16.337 -8.582 83 2HB ALA 12 2HB ALA 12 -9.449 15.259 -9.938 84 3HB ALA 12 3HB ALA 12 -9.032 14.572 -8.349 85 H PHE 13 H PHE 13 -6.384 13.595 -7.942 86 HA PHE 13 HA PHE 13 -5.478 15.329 -5.714 87 1HB PHE 13 1HB PHE 13 -6.426 13.004 -5.446 88 2HB PHE 13 2HB PHE 13 -4.985 12.323 -6.155 89 HD1 PHE 13 HD1 PHE 13 -6.559 13.416 -3.099 90 HD2 PHE 13 HD2 PHE 13 -2.677 12.942 -4.897 91 HE1 PHE 13 HE1 PHE 13 -5.524 13.328 -0.868 92 HE2 PHE 13 HE2 PHE 13 -1.662 12.854 -2.658 93 HZ PHE 13 HZ PHE 13 -3.079 13.043 -0.642 94 H LEU 14 H LEU 14 -4.018 13.689 -8.465 95 HA LEU 14 HA LEU 14 -1.182 14.515 -7.637 96 1HB LEU 14 1HB LEU 14 -0.315 12.800 -9.107 97 2HB LEU 14 2HB LEU 14 -1.868 12.531 -9.868 98 HG LEU 14 HG LEU 14 -2.613 11.793 -7.365 99 1HD1 LEU 14 1HD1 LEU 14 -2.144 9.427 -8.010 100 2HD1 LEU 14 2HD1 LEU 14 -2.746 10.348 -9.401 101 3HD1 LEU 14 3HD1 LEU 14 -1.010 9.968 -9.275 102 1HD2 LEU 14 1HD2 LEU 14 0.423 11.196 -7.353 103 2HD2 LEU 14 2HD2 LEU 14 -0.436 12.288 -6.239 104 3HD2 LEU 14 3HD2 LEU 14 -0.767 10.550 -6.195 105 H SER 15 H SER 15 -0.669 16.390 -8.449 106 HA SER 15 HA SER 15 -1.889 17.725 -10.760 107 1HB SER 15 1HB SER 15 -0.606 18.736 -8.691 108 2HB SER 15 2HB SER 15 -0.557 19.557 -10.253 109 HG SER 15 HG SER 15 1.474 19.206 -10.355 110 H GLU 16 H GLU 16 0.206 18.762 -12.198 111 HA GLU 16 HA GLU 16 0.780 16.597 -14.157 112 1HB GLU 16 1HB GLU 16 1.347 19.589 -14.104 113 2HB GLU 16 2HB GLU 16 0.209 18.703 -15.101 114 1HG GLU 16 1HG GLU 16 3.278 18.467 -15.367 115 2HG GLU 16 2HG GLU 16 2.101 17.697 -16.416 116 H GLU 17 H GLU 17 2.538 18.419 -11.718 117 HA GLU 17 HA GLU 17 5.265 17.470 -12.542 118 1HB GLU 17 1HB GLU 17 6.170 18.745 -10.701 119 2HB GLU 17 2HB GLU 17 4.609 18.901 -9.919 120 1HG GLU 17 1HG GLU 17 4.162 20.080 -12.469 121 2HG GLU 17 2HG GLU 17 5.821 20.527 -12.112 122 H MET 18 H MET 18 2.795 16.708 -10.144 123 HA MET 18 HA MET 18 4.294 14.779 -8.478 124 1HB MET 18 1HB MET 18 2.008 13.903 -7.804 125 2HB MET 18 2HB MET 18 1.271 14.979 -8.977 126 1HG MET 18 1HG MET 18 1.054 16.352 -7.125 127 2HG MET 18 2HG MET 18 2.681 16.872 -7.594 128 1HE MET 18 1HE MET 18 2.104 17.534 -4.721 129 2HE MET 18 2HE MET 18 3.454 16.779 -3.824 130 3HE MET 18 3HE MET 18 3.766 17.586 -5.389 131 H ILE 19 H ILE 19 2.394 14.601 -11.459 132 HA ILE 19 HA ILE 19 2.334 11.638 -11.667 133 HB ILE 19 HB ILE 19 1.346 13.909 -13.313 134 1HG1 ILE 19 1HG1 ILE 19 0.327 11.165 -12.419 135 2HG1 ILE 19 2HG1 ILE 19 -0.447 11.944 -13.782 136 1HG2 ILE 19 1HG2 ILE 19 1.128 12.627 -15.457 137 2HG2 ILE 19 2HG2 ILE 19 2.829 12.866 -15.062 138 3HG2 ILE 19 3HG2 ILE 19 2.074 11.282 -14.775 139 1HD1 ILE 19 1HD1 ILE 19 -1.103 13.920 -12.436 140 2HD1 ILE 19 2HD1 ILE 19 -1.651 12.422 -11.657 141 3HD1 ILE 19 3HD1 ILE 19 -0.226 13.276 -11.020 142 H ALA 20 H ALA 20 4.396 14.274 -12.795 143 HA ALA 20 HA ALA 20 6.057 12.941 -14.736 144 1HB ALA 20 1HB ALA 20 7.736 14.727 -14.290 145 2HB ALA 20 2HB ALA 20 6.095 15.393 -14.407 146 3HB ALA 20 3HB ALA 20 6.872 15.213 -12.813 147 H GLU 21 H GLU 21 6.254 13.027 -11.199 148 HA GLU 21 HA GLU 21 8.940 12.018 -10.778 149 1HB GLU 21 1HB GLU 21 6.489 11.673 -8.970 150 2HB GLU 21 2HB GLU 21 8.136 11.312 -8.492 151 1HG GLU 21 1HG GLU 21 8.741 13.778 -8.918 152 2HG GLU 21 2HG GLU 21 7.054 14.092 -9.285 153 H PHE 22 H PHE 22 5.849 10.404 -11.343 154 HA PHE 22 HA PHE 22 6.933 7.620 -10.943 155 1HB PHE 22 1HB PHE 22 4.142 8.405 -11.975 156 2HB PHE 22 2HB PHE 22 4.653 6.839 -11.406 157 HD1 PHE 22 HD1 PHE 22 5.101 6.412 -8.950 158 HD2 PHE 22 HD2 PHE 22 3.534 10.178 -10.326 159 HE1 PHE 22 HE1 PHE 22 4.572 7.050 -6.634 160 HE2 PHE 22 HE2 PHE 22 3.007 10.794 -8.002 161 HZ PHE 22 HZ PHE 22 3.571 9.258 -6.151 162 H LYS 23 H LYS 23 6.265 9.875 -13.532 163 HA LYS 23 HA LYS 23 5.905 8.298 -15.880 164 1HB LYS 23 1HB LYS 23 6.823 11.031 -15.336 165 2HB LYS 23 2HB LYS 23 7.817 10.347 -16.604 166 1HG LYS 23 1HG LYS 23 4.785 10.095 -16.861 167 2HG LYS 23 2HG LYS 23 6.016 10.104 -18.113 168 1HD LYS 23 1HD LYS 23 4.829 12.479 -16.612 169 2HD LYS 23 2HD LYS 23 6.470 12.627 -17.251 170 1HE LYS 23 1HE LYS 23 5.773 12.504 -19.517 171 2HE LYS 23 2HE LYS 23 4.325 11.558 -19.148 172 1HZ LYS 23 1HZ LYS 23 3.434 13.617 -19.522 173 2HZ LYS 23 2HZ LYS 23 4.731 14.460 -18.942 174 3HZ LYS 23 3HZ LYS 23 3.661 13.764 -17.893 175 H ALA 24 H ALA 24 8.877 8.975 -14.081 176 HA ALA 24 HA ALA 24 10.836 7.889 -15.980 177 1HB ALA 24 1HB ALA 24 12.409 7.877 -14.053 178 2HB ALA 24 2HB ALA 24 11.510 9.404 -14.141 179 3HB ALA 24 3HB ALA 24 11.071 8.183 -12.919 180 H ALA 25 H ALA 25 9.400 6.505 -13.003 181 HA ALA 25 HA ALA 25 10.524 3.770 -13.552 182 1HB ALA 25 1HB ALA 25 9.608 3.192 -11.311 183 2HB ALA 25 2HB ALA 25 10.571 4.679 -11.243 184 3HB ALA 25 3HB ALA 25 8.792 4.770 -11.198 185 H PHE 26 H PHE 26 8.174 5.148 -15.110 186 HA PHE 26 HA PHE 26 5.967 3.094 -14.858 187 1HB PHE 26 1HB PHE 26 5.239 5.366 -15.326 188 2HB PHE 26 2HB PHE 26 6.325 5.543 -16.679 189 HD1 PHE 26 HD1 PHE 26 5.317 5.350 -18.832 190 HD2 PHE 26 HD2 PHE 26 3.540 3.186 -15.566 191 HE1 PHE 26 HE1 PHE 26 3.565 4.498 -20.336 192 HE2 PHE 26 HE2 PHE 26 1.789 2.353 -17.084 193 HZ PHE 26 HZ PHE 26 1.799 3.003 -19.467 194 H ASP 27 H ASP 27 8.651 4.019 -16.960 195 HA ASP 27 HA ASP 27 8.090 2.030 -19.117 196 1HB ASP 27 1HB ASP 27 9.425 4.334 -19.283 197 2HB ASP 27 2HB ASP 27 9.757 2.985 -20.344 198 H MET 28 H MET 28 10.102 2.265 -16.236 199 HA MET 28 HA MET 28 11.885 0.040 -16.452 200 1HB MET 28 1HB MET 28 10.468 0.418 -13.785 201 2HB MET 28 2HB MET 28 11.440 1.734 -14.418 202 1HG MET 28 1HG MET 28 13.488 0.530 -14.230 203 2HG MET 28 2HG MET 28 12.693 -1.052 -14.281 204 1HE MET 28 1HE MET 28 10.666 1.508 -12.232 205 2HE MET 28 2HE MET 28 11.524 1.627 -10.667 206 3HE MET 28 3HE MET 28 12.243 2.354 -12.134 207 H PHE 29 H PHE 29 8.454 0.089 -15.541 208 HA PHE 29 HA PHE 29 8.185 -2.835 -15.042 209 1HB PHE 29 1HB PHE 29 5.590 -2.093 -15.488 210 2HB PHE 29 2HB PHE 29 6.250 -0.504 -15.209 211 HD1 PHE 29 HD1 PHE 29 8.111 -0.635 -13.019 212 HD2 PHE 29 HD2 PHE 29 4.568 -3.020 -13.566 213 HE1 PHE 29 HE1 PHE 29 7.978 -1.016 -10.592 214 HE2 PHE 29 HE2 PHE 29 4.460 -3.394 -11.137 215 HZ PHE 29 HZ PHE 29 6.155 -2.392 -9.647 216 H ASP 30 H ASP 30 7.548 -0.590 -17.721 217 HA ASP 30 HA ASP 30 6.497 -2.618 -19.629 218 1HB ASP 30 1HB ASP 30 7.671 0.075 -20.482 219 2HB ASP 30 2HB ASP 30 6.117 -0.021 -19.685 220 H ALA 31 H ALA 31 7.699 -2.838 -21.790 221 HA ALA 31 HA ALA 31 10.707 -3.206 -21.452 222 1HB ALA 31 1HB ALA 31 10.614 -5.569 -22.248 223 2HB ALA 31 2HB ALA 31 9.741 -5.357 -20.718 224 3HB ALA 31 3HB ALA 31 8.835 -5.533 -22.244 225 H ASP 32 H ASP 32 8.806 -1.473 -22.998 226 HA ASP 32 HA ASP 32 9.733 -2.100 -25.847 227 1HB ASP 32 1HB ASP 32 7.469 -0.755 -26.450 228 2HB ASP 32 2HB ASP 32 6.944 -1.375 -24.902 229 H GLY 33 H GLY 33 8.006 0.601 -24.262 230 1HA GLY 33 1HA GLY 33 9.978 2.573 -23.769 231 2HA GLY 33 2HA GLY 33 9.853 2.605 -25.513 232 H GLY 34 H GLY 34 7.543 2.313 -22.784 233 1HA GLY 34 1HA GLY 34 6.273 4.998 -23.303 234 2HA GLY 34 2HA GLY 34 5.826 3.868 -22.017 235 H GLY 35 H GLY 35 3.702 3.693 -22.309 236 1HA GLY 35 1HA GLY 35 2.606 2.450 -24.891 237 2HA GLY 35 2HA GLY 35 1.892 3.959 -24.308 238 H ASP 36 H ASP 36 2.910 0.873 -22.821 239 HA ASP 36 HA ASP 36 0.909 0.662 -20.741 240 1HB ASP 36 1HB ASP 36 -1.044 0.337 -21.794 241 2HB ASP 36 2HB ASP 36 -0.446 -1.244 -22.243 242 H ILE 37 H ILE 37 1.298 -1.089 -19.535 243 HA ILE 37 HA ILE 37 3.418 -3.081 -20.464 244 HB ILE 37 HB ILE 37 2.507 -2.660 -17.587 245 1HG1 ILE 37 1HG1 ILE 37 5.273 -1.729 -18.135 246 2HG1 ILE 37 2HG1 ILE 37 4.093 -0.794 -19.033 247 1HG2 ILE 37 1HG2 ILE 37 4.466 -4.009 -16.941 248 2HG2 ILE 37 2HG2 ILE 37 3.465 -4.917 -18.083 249 3HG2 ILE 37 3HG2 ILE 37 4.979 -4.162 -18.639 250 1HD1 ILE 37 1HD1 ILE 37 4.086 -1.126 -15.974 251 2HD1 ILE 37 2HD1 ILE 37 4.504 0.327 -16.906 252 3HD1 ILE 37 3HD1 ILE 37 2.828 -0.269 -16.904 253 H SER 38 H SER 38 3.168 -5.315 -19.768 254 HA SER 38 HA SER 38 0.260 -6.268 -19.528 255 1HB SER 38 1HB SER 38 1.359 -6.443 -21.909 256 2HB SER 38 2HB SER 38 0.437 -7.804 -21.265 257 HG SER 38 HG SER 38 3.204 -7.605 -20.778 258 H THR 39 H THR 39 0.983 -8.998 -19.543 259 HA THR 39 HA THR 39 1.857 -9.376 -16.705 260 HB THR 39 HB THR 39 1.638 -11.955 -17.671 261 HG1 THR 39 HG1 THR 39 0.946 -11.448 -19.638 262 1HG2 THR 39 1HG2 THR 39 -0.591 -12.058 -16.644 263 2HG2 THR 39 2HG2 THR 39 0.458 -11.043 -15.627 264 3HG2 THR 39 3HG2 THR 39 -0.760 -10.288 -16.688 265 H LYS 40 H LYS 40 3.077 -10.121 -19.960 266 HA LYS 40 HA LYS 40 5.510 -11.528 -19.166 267 1HB LYS 40 1HB LYS 40 4.736 -10.070 -21.736 268 2HB LYS 40 2HB LYS 40 4.630 -11.785 -21.439 269 1HG LYS 40 1HG LYS 40 7.324 -11.509 -21.145 270 2HG LYS 40 2HG LYS 40 7.062 -9.995 -21.970 271 1HD LYS 40 1HD LYS 40 7.796 -12.103 -23.391 272 2HD LYS 40 2HD LYS 40 6.162 -12.653 -23.158 273 1HE LYS 40 1HE LYS 40 5.839 -9.992 -24.141 274 2HE LYS 40 2HE LYS 40 7.098 -10.706 -25.140 275 1HZ LYS 40 1HZ LYS 40 5.199 -11.388 -26.209 276 2HZ LYS 40 2HZ LYS 40 4.282 -11.501 -24.839 277 3HZ LYS 40 3HZ LYS 40 5.367 -12.691 -25.208 278 H GLU 41 H GLU 41 5.194 -8.246 -20.567 279 HA GLU 41 HA GLU 41 7.840 -7.267 -20.074 280 1HB GLU 41 1HB GLU 41 7.089 -5.524 -21.197 281 2HB GLU 41 2HB GLU 41 6.239 -4.966 -19.772 282 1HG GLU 41 1HG GLU 41 4.764 -7.016 -21.448 283 2HG GLU 41 2HG GLU 41 4.150 -5.647 -20.547 284 H LEU 42 H LEU 42 4.969 -7.142 -17.983 285 HA LEU 42 HA LEU 42 5.985 -5.497 -15.820 286 1HB LEU 42 1HB LEU 42 3.619 -5.941 -15.887 287 2HB LEU 42 2HB LEU 42 3.838 -7.677 -15.891 288 HG LEU 42 HG LEU 42 5.035 -6.882 -13.436 289 1HD1 LEU 42 1HD1 LEU 42 3.291 -5.472 -12.311 290 2HD1 LEU 42 2HD1 LEU 42 4.077 -4.593 -13.631 291 3HD1 LEU 42 3HD1 LEU 42 2.441 -5.259 -13.863 292 1HD2 LEU 42 1HD2 LEU 42 2.166 -7.945 -13.904 293 2HD2 LEU 42 2HD2 LEU 42 3.638 -8.938 -13.759 294 3HD2 LEU 42 3HD2 LEU 42 3.066 -8.002 -12.366 295 H GLY 43 H GLY 43 6.133 -8.998 -16.391 296 1HA GLY 43 1HA GLY 43 7.190 -9.985 -13.913 297 2HA GLY 43 2HA GLY 43 7.534 -10.736 -15.477 298 H THR 44 H THR 44 8.830 -8.420 -16.627 299 HA THR 44 HA THR 44 11.570 -9.096 -16.194 300 HB THR 44 HB THR 44 10.299 -6.623 -17.405 301 HG1 THR 44 HG1 THR 44 11.627 -7.537 -19.152 302 1HG2 THR 44 1HG2 THR 44 12.538 -5.818 -18.174 303 2HG2 THR 44 2HG2 THR 44 12.380 -5.688 -16.410 304 3HG2 THR 44 3HG2 THR 44 13.343 -7.009 -17.121 305 H VAL 45 H VAL 45 9.728 -6.379 -14.804 306 HA VAL 45 HA VAL 45 11.926 -5.232 -13.224 307 HB VAL 45 HB VAL 45 9.121 -4.587 -13.681 308 1HG1 VAL 45 1HG1 VAL 45 8.557 -3.515 -11.500 309 2HG1 VAL 45 2HG1 VAL 45 8.713 -5.265 -11.302 310 3HG1 VAL 45 3HG1 VAL 45 10.025 -4.198 -10.753 311 1HG2 VAL 45 1HG2 VAL 45 11.427 -2.852 -12.571 312 2HG2 VAL 45 2HG2 VAL 45 11.001 -3.040 -14.288 313 3HG2 VAL 45 3HG2 VAL 45 9.865 -2.250 -13.186 314 H MET 46 H MET 46 9.418 -7.646 -12.635 315 HA MET 46 HA MET 46 9.577 -7.890 -9.739 316 1HB MET 46 1HB MET 46 8.896 -10.462 -10.427 317 2HB MET 46 2HB MET 46 8.531 -9.660 -11.943 318 1HG MET 46 1HG MET 46 7.351 -7.998 -9.886 319 2HG MET 46 2HG MET 46 6.531 -8.981 -11.110 320 1HE MET 46 1HE MET 46 6.313 -8.238 -7.596 321 2HE MET 46 2HE MET 46 6.582 -9.728 -6.645 322 3HE MET 46 3HE MET 46 7.973 -8.876 -7.377 323 NH1 ARG 47 NH1 ARG 47 14.709 -13.162 -17.429 324 NH2 ARG 47 NH2 ARG 47 16.566 -13.500 -16.163 325 H ARG 47 H ARG 47 11.470 -9.282 -12.368 326 HA ARG 47 HA ARG 47 12.895 -11.421 -11.020 327 1HB ARG 47 1HB ARG 47 14.762 -10.911 -12.781 328 2HB ARG 47 2HB ARG 47 13.688 -9.656 -13.385 329 1HG ARG 47 1HG ARG 47 11.856 -11.401 -13.725 330 2HG ARG 47 2HG ARG 47 12.996 -12.650 -13.223 331 1HD ARG 47 1HD ARG 47 12.760 -12.315 -15.792 332 2HD ARG 47 2HD ARG 47 13.535 -10.751 -15.590 333 HE ARG 47 HE ARG 47 15.446 -12.347 -14.383 334 1HH1 ARG 47 1HH1 ARG 47 13.762 -12.772 -17.489 335 2HH1 ARG 47 2HH1 ARG 47 15.217 -13.660 -18.169 336 1HH2 ARG 47 1HH2 ARG 47 17.038 -13.369 -15.261 337 2HH2 ARG 47 2HH2 ARG 47 16.944 -13.974 -16.991 338 H MET 48 H MET 48 13.423 -7.935 -11.146 339 HA MET 48 HA MET 48 15.930 -8.007 -9.451 340 1HB MET 48 1HB MET 48 14.402 -5.807 -10.879 341 2HB MET 48 2HB MET 48 15.339 -5.365 -9.463 342 1HG MET 48 1HG MET 48 17.154 -6.971 -10.975 343 2HG MET 48 2HG MET 48 16.288 -6.012 -12.188 344 1HE MET 48 1HE MET 48 15.421 -3.468 -10.109 345 2HE MET 48 2HE MET 48 16.710 -2.313 -10.558 346 3HE MET 48 3HE MET 48 15.861 -3.239 -11.830 347 H LEU 49 H LEU 49 14.749 -9.260 -7.817 348 HA LEU 49 HA LEU 49 13.792 -7.474 -5.586 349 1HB LEU 49 1HB LEU 49 11.768 -9.064 -5.161 350 2HB LEU 49 2HB LEU 49 11.948 -9.597 -6.818 351 HG LEU 49 HG LEU 49 11.489 -7.307 -7.679 352 1HD1 LEU 49 1HD1 LEU 49 9.085 -7.151 -7.025 353 2HD1 LEU 49 2HD1 LEU 49 9.552 -8.840 -7.293 354 3HD1 LEU 49 3HD1 LEU 49 9.365 -8.225 -5.632 355 1HD2 LEU 49 1HD2 LEU 49 11.171 -6.446 -4.723 356 2HD2 LEU 49 2HD2 LEU 49 12.441 -5.898 -5.844 357 3HD2 LEU 49 3HD2 LEU 49 10.755 -5.455 -6.144 358 H GLY 50 H GLY 50 13.317 -10.946 -6.197 359 1HA GLY 50 1HA GLY 50 15.619 -11.756 -4.371 360 2HA GLY 50 2HA GLY 50 13.991 -12.106 -3.776 361 H GLN 51 H GLN 51 12.583 -13.430 -5.068 362 HA GLN 51 HA GLN 51 13.983 -15.835 -6.230 363 1HB GLN 51 1HB GLN 51 11.953 -17.001 -6.027 364 2HB GLN 51 2HB GLN 51 10.964 -15.563 -6.200 365 1HG GLN 51 1HG GLN 51 10.662 -15.696 -3.954 366 2HG GLN 51 2HG GLN 51 12.238 -14.948 -3.818 367 1HE2 GLN 51 1HE2 GLN 51 11.738 -18.858 -2.628 368 2HE2 GLN 51 2HE2 GLN 51 10.378 -17.819 -3.291 369 H ASN 52 H ASN 52 12.150 -16.643 -8.123 370 HA ASN 52 HA ASN 52 12.017 -14.448 -10.217 371 1HB ASN 52 1HB ASN 52 14.097 -15.830 -10.584 372 2HB ASN 52 2HB ASN 52 13.125 -17.270 -10.798 373 1HD2 ASN 52 1HD2 ASN 52 13.825 -16.041 -14.241 374 2HD2 ASN 52 2HD2 ASN 52 14.744 -16.722 -12.806 375 HA PRO 53 HA PRO 53 7.697 -16.536 -9.790 376 1HB PRO 53 1HB PRO 53 6.197 -14.718 -10.130 377 2HB PRO 53 2HB PRO 53 7.178 -14.052 -11.444 378 1HG PRO 53 1HG PRO 53 7.834 -12.549 -9.786 379 2HG PRO 53 2HG PRO 53 7.619 -13.695 -8.442 380 1HD PRO 53 1HD PRO 53 9.985 -13.965 -8.643 381 2HD PRO 53 2HD PRO 53 10.012 -13.317 -10.309 382 H THR 54 H THR 54 6.217 -17.182 -11.560 383 HA THR 54 HA THR 54 7.689 -17.791 -14.174 384 HB THR 54 HB THR 54 6.926 -19.720 -12.534 385 HG1 THR 54 HG1 THR 54 7.302 -19.453 -15.142 386 1HG2 THR 54 1HG2 THR 54 4.755 -20.756 -13.106 387 2HG2 THR 54 2HG2 THR 54 4.484 -19.147 -12.400 388 3HG2 THR 54 3HG2 THR 54 4.328 -19.386 -14.159 389 H LYS 55 H LYS 55 6.199 -18.062 -16.047 390 HA LYS 55 HA LYS 55 4.811 -15.514 -16.519 391 1HB LYS 55 1HB LYS 55 6.059 -16.926 -18.277 392 2HB LYS 55 2HB LYS 55 4.701 -18.032 -18.297 393 1HG LYS 55 1HG LYS 55 4.326 -15.060 -18.910 394 2HG LYS 55 2HG LYS 55 4.880 -16.177 -20.145 395 1HD LYS 55 1HD LYS 55 2.129 -15.729 -19.101 396 2HD LYS 55 2HD LYS 55 2.655 -16.458 -20.611 397 1HE LYS 55 1HE LYS 55 2.893 -18.102 -18.057 398 2HE LYS 55 2HE LYS 55 1.302 -17.904 -18.788 399 1HZ LYS 55 1HZ LYS 55 2.156 -19.819 -19.770 400 2HZ LYS 55 2HZ LYS 55 3.695 -19.236 -19.917 401 3HZ LYS 55 3HZ LYS 55 2.508 -18.699 -20.932 402 H GLU 56 H GLU 56 3.793 -18.825 -15.837 403 HA GLU 56 HA GLU 56 0.920 -18.516 -16.349 404 1HB GLU 56 1HB GLU 56 2.046 -20.578 -14.407 405 2HB GLU 56 2HB GLU 56 2.375 -20.699 -16.124 406 1HG GLU 56 1HG GLU 56 0.176 -21.317 -16.656 407 2HG GLU 56 2HG GLU 56 -0.540 -20.335 -15.390 408 H GLU 57 H GLU 57 2.977 -18.161 -13.487 409 HA GLU 57 HA GLU 57 0.835 -17.758 -11.477 410 1HB GLU 57 1HB GLU 57 3.711 -16.774 -11.205 411 2HB GLU 57 2HB GLU 57 3.271 -18.460 -11.033 412 1HG GLU 57 1HG GLU 57 1.553 -17.599 -9.170 413 2HG GLU 57 2HG GLU 57 3.258 -17.794 -8.783 414 H LEU 58 H LEU 58 2.679 -15.708 -13.669 415 HA LEU 58 HA LEU 58 2.137 -13.084 -12.562 416 1HB LEU 58 1HB LEU 58 2.987 -14.147 -15.261 417 2HB LEU 58 2HB LEU 58 2.352 -12.515 -15.226 418 HG LEU 58 HG LEU 58 4.550 -13.334 -13.250 419 1HD1 LEU 58 1HD1 LEU 58 6.297 -12.552 -14.897 420 2HD1 LEU 58 2HD1 LEU 58 5.478 -14.011 -15.474 421 3HD1 LEU 58 3HD1 LEU 58 5.055 -12.427 -16.169 422 1HD2 LEU 58 1HD2 LEU 58 3.848 -10.629 -14.564 423 2HD2 LEU 58 2HD2 LEU 58 3.431 -11.127 -12.906 424 3HD2 LEU 58 3HD2 LEU 58 5.131 -10.908 -13.360 425 H ASP 59 H ASP 59 0.289 -15.232 -14.654 426 HA ASP 59 HA ASP 59 -1.757 -13.423 -15.636 427 1HB ASP 59 1HB ASP 59 -1.362 -15.734 -16.561 428 2HB ASP 59 2HB ASP 59 -2.077 -16.434 -15.127 429 H ALA 60 H ALA 60 -1.525 -15.347 -12.668 430 HA ALA 60 HA ALA 60 -4.276 -14.876 -11.690 431 1HB ALA 60 1HB ALA 60 -3.465 -15.881 -9.560 432 2HB ALA 60 2HB ALA 60 -2.975 -16.851 -10.963 433 3HB ALA 60 3HB ALA 60 -1.782 -15.818 -10.135 434 H ILE 61 H ILE 61 -1.151 -13.295 -11.276 435 HA ILE 61 HA ILE 61 -1.779 -11.552 -9.001 436 HB ILE 61 HB ILE 61 0.448 -11.755 -10.966 437 1HG1 ILE 61 1HG1 ILE 61 1.447 -12.465 -9.051 438 2HG1 ILE 61 2HG1 ILE 61 0.042 -12.028 -8.101 439 1HG2 ILE 61 1HG2 ILE 61 1.413 -9.483 -10.506 440 2HG2 ILE 61 2HG2 ILE 61 -0.117 -9.343 -11.370 441 3HG2 ILE 61 3HG2 ILE 61 -0.061 -9.015 -9.622 442 1HD1 ILE 61 1HD1 ILE 61 0.886 -9.731 -7.691 443 2HD1 ILE 61 2HD1 ILE 61 2.102 -10.941 -7.227 444 3HD1 ILE 61 3HD1 ILE 61 2.293 -10.036 -8.747 445 H ILE 62 H ILE 62 -1.878 -11.089 -12.537 446 HA ILE 62 HA ILE 62 -2.805 -8.302 -12.546 447 HB ILE 62 HB ILE 62 -2.728 -10.478 -14.655 448 1HG1 ILE 62 1HG1 ILE 62 -0.616 -9.310 -14.349 449 2HG1 ILE 62 2HG1 ILE 62 -1.386 -7.738 -14.283 450 1HG2 ILE 62 1HG2 ILE 62 -3.741 -8.950 -16.371 451 2HG2 ILE 62 2HG2 ILE 62 -4.919 -9.326 -15.115 452 3HG2 ILE 62 3HG2 ILE 62 -4.105 -7.745 -15.112 453 1HD1 ILE 62 1HD1 ILE 62 -1.926 -7.766 -16.703 454 2HD1 ILE 62 2HD1 ILE 62 -0.198 -8.079 -16.443 455 3HD1 ILE 62 3HD1 ILE 62 -1.286 -9.426 -16.851 456 H GLU 63 H GLU 63 -4.385 -11.448 -12.367 457 HA GLU 63 HA GLU 63 -7.126 -10.946 -12.800 458 1HB GLU 63 1HB GLU 63 -6.327 -12.562 -10.348 459 2HB GLU 63 2HB GLU 63 -5.883 -13.121 -11.949 460 1HG GLU 63 1HG GLU 63 -8.674 -12.832 -10.726 461 2HG GLU 63 2HG GLU 63 -8.513 -12.784 -12.474 462 H GLU 64 H GLU 64 -5.405 -10.467 -9.695 463 HA GLU 64 HA GLU 64 -7.695 -9.191 -8.327 464 1HB GLU 64 1HB GLU 64 -5.436 -8.505 -6.810 465 2HB GLU 64 2HB GLU 64 -4.925 -9.985 -7.599 466 1HG GLU 64 1HG GLU 64 -7.239 -9.565 -5.637 467 2HG GLU 64 2HG GLU 64 -5.882 -10.672 -5.512 468 H VAL 65 H VAL 65 -4.782 -8.067 -9.990 469 HA VAL 65 HA VAL 65 -5.458 -5.145 -9.429 470 HB VAL 65 HB VAL 65 -3.056 -4.939 -10.686 471 1HG1 VAL 65 1HG1 VAL 65 -2.032 -4.662 -8.421 472 2HG1 VAL 65 2HG1 VAL 65 -3.642 -3.920 -8.479 473 3HG1 VAL 65 3HG1 VAL 65 -3.417 -5.485 -7.662 474 1HG2 VAL 65 1HG2 VAL 65 -2.815 -7.644 -9.197 475 2HG2 VAL 65 2HG2 VAL 65 -2.625 -7.386 -10.948 476 3HG2 VAL 65 3HG2 VAL 65 -1.460 -6.674 -9.823 477 H ASP 66 H ASP 66 -7.272 -6.166 -11.013 478 HA ASP 66 HA ASP 66 -7.053 -4.637 -13.541 479 1HB ASP 66 1HB ASP 66 -7.142 -7.673 -13.967 480 2HB ASP 66 2HB ASP 66 -5.658 -6.751 -14.039 481 H GLU 67 H GLU 67 -8.770 -4.233 -11.687 482 HA GLU 67 HA GLU 67 -11.334 -5.794 -11.977 483 1HB GLU 67 1HB GLU 67 -12.221 -4.224 -10.245 484 2HB GLU 67 2HB GLU 67 -10.725 -3.310 -10.279 485 1HG GLU 67 1HG GLU 67 -10.037 -4.646 -8.555 486 2HG GLU 67 2HG GLU 67 -9.773 -5.902 -9.752 487 H ASP 68 H ASP 68 -10.398 -4.604 -14.370 488 HA ASP 68 HA ASP 68 -12.504 -2.460 -14.932 489 1HB ASP 68 1HB ASP 68 -10.304 -1.331 -14.834 490 2HB ASP 68 2HB ASP 68 -11.038 -1.235 -16.418 491 H GLY 69 H GLY 69 -10.287 -4.869 -16.376 492 1HA GLY 69 1HA GLY 69 -12.359 -5.443 -18.575 493 2HA GLY 69 2HA GLY 69 -11.604 -6.775 -17.697 494 H SER 70 H SER 70 -10.016 -3.780 -18.703 495 HA SER 70 HA SER 70 -8.968 -4.292 -21.254 496 1HB SER 70 1HB SER 70 -7.402 -2.587 -20.905 497 2HB SER 70 2HB SER 70 -8.651 -2.214 -19.714 498 HG SER 70 HG SER 70 -6.887 -2.153 -18.553 499 H GLY 71 H GLY 71 -7.590 -5.413 -18.157 500 1HA GLY 71 1HA GLY 71 -6.375 -7.859 -19.390 501 2HA GLY 71 2HA GLY 71 -6.284 -7.415 -17.680 502 H THR 72 H THR 72 -5.306 -4.721 -18.196 503 HA THR 72 HA THR 72 -2.367 -5.355 -18.603 504 HB THR 72 HB THR 72 -1.986 -3.354 -20.044 505 HG1 THR 72 HG1 THR 72 -4.443 -3.194 -21.064 506 1HG2 THR 72 1HG2 THR 72 -2.734 -4.264 -22.204 507 2HG2 THR 72 2HG2 THR 72 -2.147 -5.601 -21.191 508 3HG2 THR 72 3HG2 THR 72 -3.898 -5.355 -21.420 509 H ILE 73 H ILE 73 -1.294 -2.907 -18.332 510 HA ILE 73 HA ILE 73 -2.493 -1.578 -15.856 511 HB ILE 73 HB ILE 73 0.424 -2.498 -16.011 512 1HG1 ILE 73 1HG1 ILE 73 -1.473 -3.507 -13.852 513 2HG1 ILE 73 2HG1 ILE 73 -1.643 -4.204 -15.449 514 1HG2 ILE 73 1HG2 ILE 73 0.679 -1.606 -13.699 515 2HG2 ILE 73 2HG2 ILE 73 0.139 -0.310 -14.774 516 3HG2 ILE 73 3HG2 ILE 73 -1.019 -1.078 -13.663 517 1HD1 ILE 73 1HD1 ILE 73 0.950 -4.290 -13.798 518 2HD1 ILE 73 2HD1 ILE 73 -0.163 -5.631 -14.142 519 3HD1 ILE 73 3HD1 ILE 73 0.781 -4.906 -15.465 520 H ASP 74 H ASP 74 -3.030 -0.385 -17.976 521 HA ASP 74 HA ASP 74 -1.022 1.228 -19.367 522 1HB ASP 74 1HB ASP 74 -2.734 2.226 -20.553 523 2HB ASP 74 2HB ASP 74 -3.789 2.388 -19.168 524 H PHE 75 H PHE 75 -0.729 3.539 -19.209 525 HA PHE 75 HA PHE 75 0.180 4.540 -16.696 526 1HB PHE 75 1HB PHE 75 0.426 5.513 -19.174 527 2HB PHE 75 2HB PHE 75 -0.967 6.477 -18.766 528 HD1 PHE 75 HD1 PHE 75 2.073 5.481 -16.693 529 HD2 PHE 75 HD2 PHE 75 -0.247 8.700 -18.360 530 HE1 PHE 75 HE1 PHE 75 3.461 7.118 -15.490 531 HE2 PHE 75 HE2 PHE 75 1.159 10.322 -17.154 532 HZ PHE 75 HZ PHE 75 2.995 9.537 -15.701 533 H GLU 76 H GLU 76 -3.059 4.456 -18.030 534 HA GLU 76 HA GLU 76 -4.236 6.248 -15.891 535 1HB GLU 76 1HB GLU 76 -6.449 5.555 -17.183 536 2HB GLU 76 2HB GLU 76 -5.384 6.831 -17.733 537 1HG GLU 76 1HG GLU 76 -4.274 4.942 -19.258 538 2HG GLU 76 2HG GLU 76 -5.720 4.024 -18.894 539 H GLU 77 H GLU 77 -3.013 4.007 -14.884 540 HA GLU 77 HA GLU 77 -5.209 2.749 -13.304 541 1HB GLU 77 1HB GLU 77 -5.484 1.161 -14.997 542 2HB GLU 77 2HB GLU 77 -3.784 1.102 -15.403 543 1HG GLU 77 1HG GLU 77 -4.612 0.102 -12.642 544 2HG GLU 77 2HG GLU 77 -3.247 -0.400 -13.631 545 H PHE 78 H PHE 78 -1.787 2.700 -14.253 546 HA PHE 78 HA PHE 78 -0.576 1.510 -11.949 547 1HB PHE 78 1HB PHE 78 0.586 2.239 -14.132 548 2HB PHE 78 2HB PHE 78 0.637 3.873 -13.521 549 HD1 PHE 78 HD1 PHE 78 3.106 3.997 -13.475 550 HD2 PHE 78 HD2 PHE 78 1.115 0.841 -11.334 551 HE1 PHE 78 HE1 PHE 78 5.222 3.397 -12.369 552 HE2 PHE 78 HE2 PHE 78 3.239 0.256 -10.237 553 HZ PHE 78 HZ PHE 78 5.294 1.529 -10.752 554 H LEU 79 H LEU 79 -1.504 4.896 -12.519 555 HA LEU 79 HA LEU 79 -0.490 6.036 -10.015 556 1HB LEU 79 1HB LEU 79 -2.915 7.197 -11.469 557 2HB LEU 79 2HB LEU 79 -1.696 8.038 -10.536 558 HG LEU 79 HG LEU 79 -1.158 6.705 -13.262 559 1HD1 LEU 79 1HD1 LEU 79 0.641 8.650 -11.684 560 2HD1 LEU 79 2HD1 LEU 79 0.871 6.892 -11.731 561 3HD1 LEU 79 3HD1 LEU 79 1.027 7.847 -13.227 562 1HD2 LEU 79 1HD2 LEU 79 -1.197 8.946 -14.272 563 2HD2 LEU 79 2HD2 LEU 79 -2.726 8.747 -13.381 564 3HD2 LEU 79 3HD2 LEU 79 -1.425 9.726 -12.686 565 H VAL 80 H VAL 80 -3.666 4.766 -10.994 566 HA VAL 80 HA VAL 80 -5.191 5.347 -8.569 567 HB VAL 80 HB VAL 80 -5.610 3.082 -10.585 568 1HG1 VAL 80 1HG1 VAL 80 -7.155 5.741 -10.385 569 2HG1 VAL 80 2HG1 VAL 80 -5.793 5.498 -11.487 570 3HG1 VAL 80 3HG1 VAL 80 -7.260 4.508 -11.668 571 1HG2 VAL 80 1HG2 VAL 80 -7.895 2.812 -9.739 572 2HG2 VAL 80 2HG2 VAL 80 -6.801 2.624 -8.349 573 3HG2 VAL 80 3HG2 VAL 80 -7.692 4.138 -8.567 574 H MET 81 H MET 81 -2.871 2.857 -9.442 575 HA MET 81 HA MET 81 -3.230 0.846 -7.427 576 1HB MET 81 1HB MET 81 -1.364 1.172 -9.399 577 2HB MET 81 2HB MET 81 -0.378 1.641 -8.026 578 1HG MET 81 1HG MET 81 -0.524 -0.529 -6.988 579 2HG MET 81 2HG MET 81 -1.942 -0.998 -7.941 580 1HE MET 81 1HE MET 81 -1.555 -0.322 -10.853 581 2HE MET 81 2HE MET 81 -0.541 -1.627 -11.538 582 3HE MET 81 3HE MET 81 -1.861 -2.029 -10.403 583 H MET 82 H MET 82 -0.824 3.487 -7.203 584 HA MET 82 HA MET 82 -0.184 3.102 -4.393 585 1HB MET 82 1HB MET 82 1.272 4.865 -4.580 586 2HB MET 82 2HB MET 82 1.069 4.481 -6.280 587 1HG MET 82 1HG MET 82 -0.738 6.615 -5.023 588 2HG MET 82 2HG MET 82 -0.256 6.417 -6.712 589 1HE MET 82 1HE MET 82 0.554 7.375 -3.171 590 2HE MET 82 2HE MET 82 1.904 8.542 -3.290 591 3HE MET 82 3HE MET 82 2.248 6.790 -3.200 592 H VAL 83 H VAL 83 -2.621 5.075 -6.017 593 HA VAL 83 HA VAL 83 -3.354 6.855 -3.811 594 HB VAL 83 HB VAL 83 -4.412 6.297 -6.508 595 1HG1 VAL 83 1HG1 VAL 83 -6.724 7.175 -6.143 596 2HG1 VAL 83 2HG1 VAL 83 -6.504 5.633 -5.305 597 3HG1 VAL 83 3HG1 VAL 83 -6.479 7.151 -4.377 598 1HG2 VAL 83 1HG2 VAL 83 -4.472 8.859 -4.780 599 2HG2 VAL 83 2HG2 VAL 83 -3.211 8.432 -5.959 600 3HG2 VAL 83 3HG2 VAL 83 -4.858 8.759 -6.517 601 NH1 ARG 84 NH1 ARG 84 -7.216 -1.719 -7.802 602 NH2 ARG 84 NH2 ARG 84 -7.313 -2.903 -5.866 603 H ARG 84 H ARG 84 -4.318 3.602 -4.754 604 HA ARG 84 HA ARG 84 -6.737 3.354 -3.025 605 1HB ARG 84 1HB ARG 84 -5.118 1.470 -4.770 606 2HB ARG 84 2HB ARG 84 -6.067 0.754 -3.475 607 1HG ARG 84 1HG ARG 84 -8.156 1.493 -4.351 608 2HG ARG 84 2HG ARG 84 -7.426 2.749 -5.354 609 1HD ARG 84 1HD ARG 84 -7.874 1.143 -6.998 610 2HD ARG 84 2HD ARG 84 -6.211 0.700 -6.605 611 HE ARG 84 HE ARG 84 -8.316 -0.756 -5.004 612 1HH1 ARG 84 1HH1 ARG 84 -7.304 -0.809 -8.267 613 2HH1 ARG 84 2HH1 ARG 84 -7.000 -2.618 -8.247 614 1HH2 ARG 84 1HH2 ARG 84 -7.430 -2.889 -4.846 615 2HH2 ARG 84 2HH2 ARG 84 -7.133 -3.725 -6.453 616 H GLN 85 H GLN 85 -3.289 2.628 -2.754 617 HA GLN 85 HA GLN 85 -3.470 1.019 -0.255 618 1HB GLN 85 1HB GLN 85 -0.908 1.334 -0.243 619 2HB GLN 85 2HB GLN 85 -1.084 2.260 -1.722 620 1HG GLN 85 1HG GLN 85 -2.382 0.099 -2.627 621 2HG GLN 85 2HG GLN 85 -0.635 0.196 -2.658 622 1HE2 GLN 85 1HE2 GLN 85 -0.363 -2.159 0.242 623 2HE2 GLN 85 2HE2 GLN 85 0.312 -0.543 -0.306 624 H MET 86 H MET 86 -2.994 4.399 -1.094 625 HA MET 86 HA MET 86 -1.873 5.402 1.423 626 1HB MET 86 1HB MET 86 -1.715 7.346 0.315 627 2HB MET 86 2HB MET 86 -2.351 6.501 -1.083 628 1HG MET 86 1HG MET 86 -4.313 7.784 0.898 629 2HG MET 86 2HG MET 86 -4.605 7.260 -0.767 630 1HE MET 86 1HE MET 86 -4.794 8.922 -2.653 631 2HE MET 86 2HE MET 86 -3.526 10.135 -3.000 632 3HE MET 86 3HE MET 86 -3.104 8.399 -2.933 633 H LYS 87 H LYS 87 -5.195 5.260 0.136 634 HA LYS 87 HA LYS 87 -6.641 6.459 2.398 635 1HB LYS 87 1HB LYS 87 -7.519 5.687 -0.047 636 2HB LYS 87 2HB LYS 87 -8.578 5.912 1.337 637 1HG LYS 87 1HG LYS 87 -7.501 3.226 0.313 638 2HG LYS 87 2HG LYS 87 -8.361 3.381 1.836 639 1HD LYS 87 1HD LYS 87 -10.211 2.902 0.559 640 2HD LYS 87 2HD LYS 87 -10.169 4.624 0.200 641 1HE LYS 87 1HE LYS 87 -9.322 4.319 -2.007 642 2HE LYS 87 2HE LYS 87 -8.556 2.771 -1.626 643 1HZ LYS 87 1HZ LYS 87 -10.980 1.971 -1.286 644 2HZ LYS 87 2HZ LYS 87 -10.422 2.172 -2.828 645 3HZ LYS 87 3HZ LYS 87 -11.410 3.311 -2.152 646 H GLU 88 H GLU 88 -7.381 5.613 4.250 647 HA GLU 88 HA GLU 88 -7.718 2.888 5.065 648 1HB GLU 88 1HB GLU 88 -5.204 3.365 6.479 649 2HB GLU 88 2HB GLU 88 -4.922 3.439 4.751 650 1HG GLU 88 1HG GLU 88 -6.243 1.134 4.642 651 2HG GLU 88 2HG GLU 88 -4.574 1.159 5.185 652 H ASP 89 H ASP 89 -6.568 6.107 5.923 653 HA ASP 89 HA ASP 89 -8.705 6.365 8.034 654 1HB ASP 89 1HB ASP 89 -5.783 6.821 8.866 655 2HB ASP 89 2HB ASP 89 -6.715 5.399 9.275 656 H ALA 90 H ALA 90 -9.600 8.257 7.805 657 HA ALA 90 HA ALA 90 -8.202 10.539 6.336 658 1HB ALA 90 1HB ALA 90 -10.473 11.596 6.202 659 2HB ALA 90 2HB ALA 90 -10.501 9.958 5.519 660 3HB ALA 90 3HB ALA 90 -11.184 10.256 7.137 Start of MODEL 21 Raw file had 660 H/Q atoms Start of MODEL 21 1 1H ALA 1 1H ALA 1 -19.990 7.882 -24.801 2 2H ALA 1 2H ALA 1 -18.559 8.616 -25.292 3 3H ALA 1 3H ALA 1 -18.712 6.943 -25.359 4 HA ALA 1 HA ALA 1 -19.078 6.964 -22.907 5 1HB ALA 1 1HB ALA 1 -16.950 6.221 -24.134 6 2HB ALA 1 2HB ALA 1 -16.682 6.785 -22.474 7 3HB ALA 1 3HB ALA 1 -16.267 7.840 -23.849 8 H SER 2 H SER 2 -19.134 8.179 -21.092 9 HA SER 2 HA SER 2 -18.053 10.949 -20.862 10 1HB SER 2 1HB SER 2 -20.160 12.178 -20.596 11 2HB SER 2 2HB SER 2 -20.065 11.457 -22.205 12 HG SER 2 HG SER 2 -21.774 10.398 -21.774 13 H MET 3 H MET 3 -17.436 8.796 -19.408 14 HA MET 3 HA MET 3 -18.148 9.491 -16.604 15 1HB MET 3 1HB MET 3 -20.231 8.275 -17.356 16 2HB MET 3 2HB MET 3 -19.278 6.833 -17.659 17 1HG MET 3 1HG MET 3 -18.551 7.235 -15.040 18 2HG MET 3 2HG MET 3 -20.112 8.065 -15.019 19 1HE MET 3 1HE MET 3 -20.597 6.499 -13.185 20 2HE MET 3 2HE MET 3 -21.151 4.809 -13.368 21 3HE MET 3 3HE MET 3 -22.192 6.152 -13.923 22 H THR 4 H THR 4 -16.145 9.375 -15.875 23 HA THR 4 HA THR 4 -14.494 6.856 -16.289 24 HB THR 4 HB THR 4 -13.838 8.419 -18.034 25 HG1 THR 4 HG1 THR 4 -11.981 7.621 -17.840 26 1HG2 THR 4 1HG2 THR 4 -12.624 10.452 -17.758 27 2HG2 THR 4 2HG2 THR 4 -12.419 10.232 -16.006 28 3HG2 THR 4 3HG2 THR 4 -14.015 10.662 -16.673 29 H ASP 5 H ASP 5 -16.029 7.829 -14.041 30 HA ASP 5 HA ASP 5 -14.340 8.920 -11.882 31 1HB ASP 5 1HB ASP 5 -16.994 8.630 -12.019 32 2HB ASP 5 2HB ASP 5 -16.135 8.720 -10.499 33 H GLN 6 H GLN 6 -14.265 5.950 -13.520 34 HA GLN 6 HA GLN 6 -13.038 4.297 -11.305 35 1HB GLN 6 1HB GLN 6 -13.318 3.658 -14.298 36 2HB GLN 6 2HB GLN 6 -14.455 3.192 -13.040 37 1HG GLN 6 1HG GLN 6 -13.285 1.318 -12.591 38 2HG GLN 6 2HG GLN 6 -11.860 2.242 -12.173 39 1HE2 GLN 6 1HE2 GLN 6 -10.107 1.224 -15.114 40 2HE2 GLN 6 2HE2 GLN 6 -10.088 1.820 -13.379 41 H GLN 7 H GLN 7 -11.494 6.007 -10.901 42 HA GLN 7 HA GLN 7 -9.032 6.066 -10.655 43 1HB GLN 7 1HB GLN 7 -7.501 5.462 -12.424 44 2HB GLN 7 2HB GLN 7 -8.749 5.572 -13.655 45 1HG GLN 7 1HG GLN 7 -9.842 3.500 -12.923 46 2HG GLN 7 2HG GLN 7 -8.144 3.207 -13.267 47 1HE2 GLN 7 1HE2 GLN 7 -9.545 2.831 -9.354 48 2HE2 GLN 7 2HE2 GLN 7 -10.481 3.793 -10.604 49 H ALA 8 H ALA 8 -11.226 7.975 -11.615 50 HA ALA 8 HA ALA 8 -9.746 10.048 -13.218 51 1HB ALA 8 1HB ALA 8 -11.850 11.373 -13.043 52 2HB ALA 8 2HB ALA 8 -12.163 9.729 -13.629 53 3HB ALA 8 3HB ALA 8 -12.557 10.163 -11.946 54 H GLU 9 H GLU 9 -11.127 9.700 -9.943 55 HA GLU 9 HA GLU 9 -10.508 12.272 -8.818 56 1HB GLU 9 1HB GLU 9 -10.692 9.556 -7.382 57 2HB GLU 9 2HB GLU 9 -10.443 11.075 -6.534 58 1HG GLU 9 1HG GLU 9 -12.954 10.073 -7.902 59 2HG GLU 9 2HG GLU 9 -12.676 11.809 -7.974 60 H ALA 10 H ALA 10 -8.536 9.290 -8.753 61 HA ALA 10 HA ALA 10 -6.353 10.084 -7.090 62 1HB ALA 10 1HB ALA 10 -4.985 8.378 -8.280 63 2HB ALA 10 2HB ALA 10 -6.616 7.771 -7.935 64 3HB ALA 10 3HB ALA 10 -6.188 8.280 -9.588 65 NH1 ARG 11 NH1 ARG 11 -4.742 11.366 -16.025 66 NH2 ARG 11 NH2 ARG 11 -2.843 10.407 -15.228 67 H ARG 11 H ARG 11 -7.020 10.877 -10.455 68 HA ARG 11 HA ARG 11 -4.406 12.016 -11.229 69 1HB ARG 11 1HB ARG 11 -5.845 11.376 -13.038 70 2HB ARG 11 2HB ARG 11 -7.225 12.237 -12.373 71 1HG ARG 11 1HG ARG 11 -6.586 13.615 -14.168 72 2HG ARG 11 2HG ARG 11 -5.914 14.457 -12.769 73 1HD ARG 11 1HD ARG 11 -4.464 13.850 -15.046 74 2HD ARG 11 2HD ARG 11 -3.728 14.174 -13.475 75 HE ARG 11 HE ARG 11 -3.439 11.705 -13.156 76 1HH1 ARG 11 1HH1 ARG 11 -5.471 12.076 -15.902 77 2HH1 ARG 11 2HH1 ARG 11 -4.655 10.701 -16.802 78 1HH2 ARG 11 1HH2 ARG 11 -2.102 10.414 -14.518 79 2HH2 ARG 11 2HH2 ARG 11 -2.909 9.787 -16.043 80 H ALA 12 H ALA 12 -7.511 13.701 -10.673 81 HA ALA 12 HA ALA 12 -6.599 16.396 -10.618 82 1HB ALA 12 1HB ALA 12 -8.646 16.974 -9.331 83 2HB ALA 12 2HB ALA 12 -9.005 15.808 -10.621 84 3HB ALA 12 3HB ALA 12 -8.915 15.261 -8.928 85 H PHE 13 H PHE 13 -6.413 13.957 -8.089 86 HA PHE 13 HA PHE 13 -5.801 15.751 -5.814 87 1HB PHE 13 1HB PHE 13 -5.610 12.728 -6.222 88 2HB PHE 13 2HB PHE 13 -6.815 13.619 -5.329 89 HD1 PHE 13 HD1 PHE 13 -6.412 14.188 -2.962 90 HD2 PHE 13 HD2 PHE 13 -3.193 12.577 -5.323 91 HE1 PHE 13 HE1 PHE 13 -5.102 13.780 -0.919 92 HE2 PHE 13 HE2 PHE 13 -1.901 12.175 -3.269 93 HZ PHE 13 HZ PHE 13 -2.850 12.771 -1.066 94 H LEU 14 H LEU 14 -3.890 13.603 -7.933 95 HA LEU 14 HA LEU 14 -1.239 14.615 -6.828 96 1HB LEU 14 1HB LEU 14 -0.165 12.807 -7.928 97 2HB LEU 14 2HB LEU 14 -1.456 12.582 -9.088 98 HG LEU 14 HG LEU 14 -2.924 11.824 -7.006 99 1HD1 LEU 14 1HD1 LEU 14 -0.123 11.312 -5.826 100 2HD1 LEU 14 2HD1 LEU 14 -1.220 12.590 -5.273 101 3HD1 LEU 14 3HD1 LEU 14 -1.689 10.881 -5.093 102 1HD2 LEU 14 1HD2 LEU 14 -2.254 9.478 -7.322 103 2HD2 LEU 14 2HD2 LEU 14 -2.070 10.295 -8.894 104 3HD2 LEU 14 3HD2 LEU 14 -0.640 9.954 -7.908 105 H SER 15 H SER 15 -0.814 16.556 -7.596 106 HA SER 15 HA SER 15 -1.637 17.770 -10.092 107 1HB SER 15 1HB SER 15 -0.968 19.371 -8.574 108 2HB SER 15 2HB SER 15 0.470 19.320 -9.596 109 HG SER 15 HG SER 15 1.404 17.884 -8.108 110 H GLU 16 H GLU 16 0.333 18.724 -11.519 111 HA GLU 16 HA GLU 16 1.319 16.510 -13.189 112 1HB GLU 16 1HB GLU 16 0.742 18.554 -14.286 113 2HB GLU 16 2HB GLU 16 1.789 19.526 -13.270 114 1HG GLU 16 1HG GLU 16 3.792 18.174 -14.346 115 2HG GLU 16 2HG GLU 16 2.999 19.423 -15.291 116 H GLU 17 H GLU 17 2.691 18.539 -10.673 117 HA GLU 17 HA GLU 17 5.544 17.762 -11.142 118 1HB GLU 17 1HB GLU 17 5.553 19.861 -10.239 119 2HB GLU 17 2HB GLU 17 4.137 19.600 -9.238 120 1HG GLU 17 1HG GLU 17 6.946 18.477 -8.609 121 2HG GLU 17 2HG GLU 17 5.531 18.286 -7.589 122 H MET 18 H MET 18 2.930 16.916 -8.897 123 HA MET 18 HA MET 18 4.438 15.073 -7.135 124 1HB MET 18 1HB MET 18 1.460 15.523 -7.630 125 2HB MET 18 2HB MET 18 1.991 14.099 -6.755 126 1HG MET 18 1HG MET 18 3.158 16.715 -5.768 127 2HG MET 18 2HG MET 18 1.417 16.488 -5.534 128 1HE MET 18 1HE MET 18 1.922 16.629 -2.852 129 2HE MET 18 2HE MET 18 3.050 15.521 -2.015 130 3HE MET 18 3HE MET 18 3.684 16.736 -3.164 131 H ILE 19 H ILE 19 2.682 14.806 -10.183 132 HA ILE 19 HA ILE 19 2.512 11.864 -10.328 133 HB ILE 19 HB ILE 19 1.880 14.124 -12.156 134 1HG1 ILE 19 1HG1 ILE 19 -0.021 13.133 -11.114 135 2HG1 ILE 19 2HG1 ILE 19 0.588 11.500 -11.280 136 1HG2 ILE 19 1HG2 ILE 19 1.832 12.772 -14.267 137 2HG2 ILE 19 2HG2 ILE 19 3.487 12.920 -13.678 138 3HG2 ILE 19 3HG2 ILE 19 2.599 11.399 -13.433 139 1HD1 ILE 19 1HD1 ILE 19 0.089 11.428 -13.706 140 2HD1 ILE 19 2HD1 ILE 19 -1.353 11.904 -12.786 141 3HD1 ILE 19 3HD1 ILE 19 -0.428 13.136 -13.676 142 H ALA 20 H ALA 20 4.862 14.317 -11.298 143 HA ALA 20 HA ALA 20 6.603 12.881 -13.054 144 1HB ALA 20 1HB ALA 20 8.383 14.493 -12.388 145 2HB ALA 20 2HB ALA 20 6.828 15.310 -12.640 146 3HB ALA 20 3HB ALA 20 7.422 15.020 -10.986 147 H GLU 21 H GLU 21 6.445 12.853 -9.516 148 HA GLU 21 HA GLU 21 8.983 11.570 -8.891 149 1HB GLU 21 1HB GLU 21 8.150 11.175 -6.679 150 2HB GLU 21 2HB GLU 21 6.474 11.194 -7.190 151 1HG GLU 21 1HG GLU 21 8.131 13.733 -7.588 152 2HG GLU 21 2HG GLU 21 6.399 13.574 -7.352 153 H PHE 22 H PHE 22 5.734 10.268 -9.517 154 HA PHE 22 HA PHE 22 6.494 7.398 -9.165 155 1HB PHE 22 1HB PHE 22 3.920 8.706 -10.233 156 2HB PHE 22 2HB PHE 22 4.150 6.981 -10.144 157 HD1 PHE 22 HD1 PHE 22 3.705 5.766 -8.123 158 HD2 PHE 22 HD2 PHE 22 4.118 10.047 -7.939 159 HE1 PHE 22 HE1 PHE 22 3.120 5.731 -5.735 160 HE2 PHE 22 HE2 PHE 22 3.524 9.990 -5.552 161 HZ PHE 22 HZ PHE 22 3.066 7.834 -4.436 162 H LYS 23 H LYS 23 6.452 9.732 -11.751 163 HA LYS 23 HA LYS 23 6.030 8.149 -14.141 164 1HB LYS 23 1HB LYS 23 7.141 10.815 -13.544 165 2HB LYS 23 2HB LYS 23 8.094 10.039 -14.789 166 1HG LYS 23 1HG LYS 23 5.073 9.996 -15.139 167 2HG LYS 23 2HG LYS 23 5.895 11.540 -15.287 168 1HD LYS 23 1HD LYS 23 7.539 9.969 -16.893 169 2HD LYS 23 2HD LYS 23 5.985 9.162 -17.137 170 1HE LYS 23 1HE LYS 23 6.803 11.997 -17.899 171 2HE LYS 23 2HE LYS 23 5.106 11.736 -17.468 172 1HZ LYS 23 1HZ LYS 23 5.028 11.191 -19.657 173 2HZ LYS 23 2HZ LYS 23 5.470 9.690 -19.125 174 3HZ LYS 23 3HZ LYS 23 6.606 10.710 -19.757 175 H ALA 24 H ALA 24 8.961 8.737 -12.218 176 HA ALA 24 HA ALA 24 10.960 7.559 -13.963 177 1HB ALA 24 1HB ALA 24 12.393 7.398 -11.938 178 2HB ALA 24 2HB ALA 24 11.569 8.966 -12.019 179 3HB ALA 24 3HB ALA 24 10.995 7.718 -10.884 180 H ALA 25 H ALA 25 9.377 6.116 -11.089 181 HA ALA 25 HA ALA 25 10.418 3.409 -11.307 182 1HB ALA 25 1HB ALA 25 8.574 2.769 -9.764 183 2HB ALA 25 2HB ALA 25 9.364 4.266 -9.234 184 3HB ALA 25 3HB ALA 25 7.768 4.334 -10.025 185 H PHE 26 H PHE 26 7.760 5.050 -12.897 186 HA PHE 26 HA PHE 26 6.115 2.778 -13.733 187 1HB PHE 26 1HB PHE 26 5.442 5.257 -13.859 188 2HB PHE 26 2HB PHE 26 6.391 5.402 -15.314 189 HD1 PHE 26 HD1 PHE 26 3.125 5.034 -14.217 190 HD2 PHE 26 HD2 PHE 26 5.797 3.157 -17.017 191 HE1 PHE 26 HE1 PHE 26 1.203 4.212 -15.517 192 HE2 PHE 26 HE2 PHE 26 3.862 2.334 -18.298 193 HZ PHE 26 HZ PHE 26 1.568 2.908 -17.585 194 H ASP 27 H ASP 27 8.809 4.505 -15.298 195 HA ASP 27 HA ASP 27 8.825 3.010 -17.817 196 1HB ASP 27 1HB ASP 27 11.272 4.428 -16.627 197 2HB ASP 27 2HB ASP 27 9.945 5.291 -17.371 198 H MET 28 H MET 28 10.565 2.626 -14.749 199 HA MET 28 HA MET 28 12.338 0.437 -15.289 200 1HB MET 28 1HB MET 28 12.648 1.088 -13.104 201 2HB MET 28 2HB MET 28 10.944 1.385 -12.813 202 1HG MET 28 1HG MET 28 12.387 -1.328 -12.702 203 2HG MET 28 2HG MET 28 10.619 -1.211 -12.751 204 1HE MET 28 1HE MET 28 12.681 1.752 -11.175 205 2HE MET 28 2HE MET 28 12.969 1.191 -9.500 206 3HE MET 28 3HE MET 28 13.810 0.396 -10.864 207 H PHE 29 H PHE 29 8.990 0.158 -14.050 208 HA PHE 29 HA PHE 29 8.752 -2.733 -14.252 209 1HB PHE 29 1HB PHE 29 6.199 -2.308 -14.306 210 2HB PHE 29 2HB PHE 29 6.541 -0.599 -14.311 211 HD1 PHE 29 HD1 PHE 29 7.436 -3.702 -12.304 212 HD2 PHE 29 HD2 PHE 29 6.691 0.537 -12.216 213 HE1 PHE 29 HE1 PHE 29 7.641 -3.704 -9.851 214 HE2 PHE 29 HE2 PHE 29 6.889 0.509 -9.764 215 HZ PHE 29 HZ PHE 29 7.369 -1.603 -8.579 216 H ASP 30 H ASP 30 8.227 -0.128 -16.570 217 HA ASP 30 HA ASP 30 6.888 -1.629 -18.702 218 1HB ASP 30 1HB ASP 30 8.491 0.978 -18.777 219 2HB ASP 30 2HB ASP 30 6.755 0.773 -18.784 220 H ALA 31 H ALA 31 7.717 -2.560 -20.558 221 HA ALA 31 HA ALA 31 10.705 -3.265 -20.593 222 1HB ALA 31 1HB ALA 31 10.109 -5.603 -21.238 223 2HB ALA 31 2HB ALA 31 9.456 -5.173 -19.645 224 3HB ALA 31 3HB ALA 31 8.375 -5.240 -21.062 225 H ASP 32 H ASP 32 7.653 -3.072 -22.410 226 HA ASP 32 HA ASP 32 9.033 -3.279 -25.093 227 1HB ASP 32 1HB ASP 32 6.594 -2.976 -25.991 228 2HB ASP 32 2HB ASP 32 7.079 -4.493 -25.269 229 H GLY 33 H GLY 33 6.982 -0.958 -23.306 230 1HA GLY 33 1HA GLY 33 7.389 1.492 -23.124 231 2HA GLY 33 2HA GLY 33 8.544 1.359 -24.431 232 H GLY 34 H GLY 34 5.084 1.247 -23.643 233 1HA GLY 34 1HA GLY 34 3.372 1.264 -25.694 234 2HA GLY 34 2HA GLY 34 4.425 2.523 -26.351 235 H GLY 35 H GLY 35 3.501 2.045 -22.961 236 1HA GLY 35 1HA GLY 35 2.970 4.649 -22.017 237 2HA GLY 35 2HA GLY 35 1.528 4.327 -22.990 238 H ASP 36 H ASP 36 1.447 1.495 -22.518 239 HA ASP 36 HA ASP 36 0.428 1.452 -19.628 240 1HB ASP 36 1HB ASP 36 -1.504 0.387 -20.219 241 2HB ASP 36 2HB ASP 36 -0.751 -0.574 -21.471 242 H ILE 37 H ILE 37 0.543 -0.586 -18.540 243 HA ILE 37 HA ILE 37 3.084 -2.138 -19.203 244 HB ILE 37 HB ILE 37 1.774 -2.670 -16.578 245 1HG1 ILE 37 1HG1 ILE 37 2.671 0.126 -17.244 246 2HG1 ILE 37 2HG1 ILE 37 1.514 -0.440 -16.055 247 1HG2 ILE 37 1HG2 ILE 37 4.098 -2.913 -15.796 248 2HG2 ILE 37 2HG2 ILE 37 3.878 -3.812 -17.304 249 3HG2 ILE 37 3HG2 ILE 37 4.730 -2.250 -17.323 250 1HD1 ILE 37 1HD1 ILE 37 4.567 -0.488 -15.672 251 2HD1 ILE 37 2HD1 ILE 37 3.390 0.579 -14.876 252 3HD1 ILE 37 3HD1 ILE 37 3.389 -1.163 -14.515 253 H SER 38 H SER 38 2.890 -4.493 -18.248 254 HA SER 38 HA SER 38 0.207 -5.804 -18.733 255 1HB SER 38 1HB SER 38 1.918 -5.566 -20.931 256 2HB SER 38 2HB SER 38 2.288 -7.188 -20.342 257 HG SER 38 HG SER 38 0.561 -7.246 -21.728 258 H THR 39 H THR 39 1.096 -8.403 -18.916 259 HA THR 39 HA THR 39 2.040 -8.960 -16.109 260 HB THR 39 HB THR 39 1.712 -11.466 -17.048 261 HG1 THR 39 HG1 THR 39 -0.437 -10.623 -18.356 262 1HG2 THR 39 1HG2 THR 39 -0.591 -11.490 -16.197 263 2HG2 THR 39 2HG2 THR 39 0.395 -10.455 -15.139 264 3HG2 THR 39 3HG2 THR 39 -0.721 -9.720 -16.320 265 H LYS 40 H LYS 40 3.055 -9.582 -19.467 266 HA LYS 40 HA LYS 40 5.451 -11.161 -18.943 267 1HB LYS 40 1HB LYS 40 4.343 -11.010 -21.147 268 2HB LYS 40 2HB LYS 40 4.807 -9.341 -21.350 269 1HG LYS 40 1HG LYS 40 7.243 -10.805 -20.830 270 2HG LYS 40 2HG LYS 40 6.279 -11.886 -21.800 271 1HD LYS 40 1HD LYS 40 7.722 -9.386 -22.633 272 2HD LYS 40 2HD LYS 40 7.432 -10.887 -23.462 273 1HE LYS 40 1HE LYS 40 5.029 -9.085 -23.137 274 2HE LYS 40 2HE LYS 40 6.252 -8.607 -24.307 275 1HZ LYS 40 1HZ LYS 40 5.702 -10.357 -25.654 276 2HZ LYS 40 2HZ LYS 40 4.252 -10.253 -24.868 277 3HZ LYS 40 3HZ LYS 40 5.354 -11.399 -24.420 278 H GLU 41 H GLU 41 4.772 -7.692 -19.078 279 HA GLU 41 HA GLU 41 7.552 -6.711 -19.018 280 1HB GLU 41 1HB GLU 41 6.700 -4.506 -18.741 281 2HB GLU 41 2HB GLU 41 5.185 -5.062 -18.064 282 1HG GLU 41 1HG GLU 41 6.003 -5.543 -20.999 283 2HG GLU 41 2HG GLU 41 4.460 -5.945 -20.276 284 H LEU 42 H LEU 42 4.994 -6.756 -16.512 285 HA LEU 42 HA LEU 42 6.504 -5.727 -14.280 286 1HB LEU 42 1HB LEU 42 4.627 -7.834 -13.406 287 2HB LEU 42 2HB LEU 42 3.895 -6.846 -14.651 288 HG LEU 42 HG LEU 42 4.710 -4.779 -13.160 289 1HD1 LEU 42 1HD1 LEU 42 4.554 -6.947 -10.974 290 2HD1 LEU 42 2HD1 LEU 42 6.073 -6.266 -11.577 291 3HD1 LEU 42 3HD1 LEU 42 4.898 -5.212 -10.752 292 1HD2 LEU 42 1HD2 LEU 42 2.540 -4.745 -11.982 293 2HD2 LEU 42 2HD2 LEU 42 2.281 -5.460 -13.593 294 3HD2 LEU 42 3HD2 LEU 42 2.353 -6.509 -12.165 295 H GLY 43 H GLY 43 6.270 -8.974 -15.632 296 1HA GLY 43 1HA GLY 43 7.540 -11.008 -15.263 297 2HA GLY 43 2HA GLY 43 7.417 -10.588 -13.549 298 H THR 44 H THR 44 9.050 -8.845 -16.185 299 HA THR 44 HA THR 44 11.752 -9.812 -15.742 300 HB THR 44 HB THR 44 10.570 -7.544 -17.285 301 HG1 THR 44 HG1 THR 44 11.542 -9.850 -17.734 302 1HG2 THR 44 1HG2 THR 44 12.784 -6.529 -17.853 303 2HG2 THR 44 2HG2 THR 44 12.359 -6.233 -16.154 304 3HG2 THR 44 3HG2 THR 44 13.566 -7.479 -16.565 305 H VAL 45 H VAL 45 10.096 -6.888 -14.557 306 HA VAL 45 HA VAL 45 12.341 -5.694 -13.115 307 HB VAL 45 HB VAL 45 9.455 -5.133 -13.349 308 1HG1 VAL 45 1HG1 VAL 45 11.782 -3.200 -12.753 309 2HG1 VAL 45 2HG1 VAL 45 11.388 -3.774 -14.378 310 3HG1 VAL 45 3HG1 VAL 45 10.198 -2.811 -13.474 311 1HG2 VAL 45 1HG2 VAL 45 9.087 -3.864 -11.297 312 2HG2 VAL 45 2HG2 VAL 45 9.579 -5.497 -10.793 313 3HG2 VAL 45 3HG2 VAL 45 10.746 -4.169 -10.718 314 H MET 46 H MET 46 9.880 -8.082 -12.274 315 HA MET 46 HA MET 46 10.262 -8.198 -9.359 316 1HB MET 46 1HB MET 46 9.113 -10.228 -11.347 317 2HB MET 46 2HB MET 46 9.330 -10.627 -9.653 318 1HG MET 46 1HG MET 46 7.927 -8.351 -9.232 319 2HG MET 46 2HG MET 46 7.385 -8.640 -10.894 320 1HE MET 46 1HE MET 46 6.330 -9.055 -7.418 321 2HE MET 46 2HE MET 46 5.965 -10.781 -7.129 322 3HE MET 46 3HE MET 46 7.664 -10.231 -7.204 323 NH1 ARG 47 NH1 ARG 47 18.651 -12.712 -15.107 324 NH2 ARG 47 NH2 ARG 47 18.022 -14.866 -15.468 325 H ARG 47 H ARG 47 11.814 -9.731 -12.131 326 HA ARG 47 HA ARG 47 13.421 -11.779 -10.859 327 1HB ARG 47 1HB ARG 47 14.482 -10.184 -13.242 328 2HB ARG 47 2HB ARG 47 13.067 -11.214 -13.410 329 1HG ARG 47 1HG ARG 47 14.251 -13.198 -13.220 330 2HG ARG 47 2HG ARG 47 15.402 -12.544 -12.054 331 1HD ARG 47 1HD ARG 47 15.517 -11.534 -14.952 332 2HD ARG 47 2HD ARG 47 16.783 -11.549 -13.734 333 HE ARG 47 HE ARG 47 15.850 -14.270 -14.643 334 1HH1 ARG 47 1HH1 ARG 47 18.384 -11.776 -14.782 335 2HH1 ARG 47 2HH1 ARG 47 19.568 -13.001 -15.464 336 1HH2 ARG 47 1HH2 ARG 47 17.280 -15.573 -15.421 337 2HH2 ARG 47 2HH2 ARG 47 18.982 -15.004 -15.801 338 H MET 48 H MET 48 13.971 -8.315 -11.336 339 HA MET 48 HA MET 48 16.768 -8.058 -10.677 340 1HB MET 48 1HB MET 48 14.906 -6.192 -11.357 341 2HB MET 48 2HB MET 48 16.493 -5.817 -10.714 342 1HG MET 48 1HG MET 48 14.106 -4.848 -9.673 343 2HG MET 48 2HG MET 48 14.406 -6.211 -8.582 344 1HE MET 48 1HE MET 48 14.659 -2.647 -8.497 345 2HE MET 48 2HE MET 48 16.374 -2.152 -8.388 346 3HE MET 48 3HE MET 48 15.708 -2.721 -9.947 347 H LEU 49 H LEU 49 13.920 -8.393 -8.621 348 HA LEU 49 HA LEU 49 15.082 -7.767 -6.019 349 1HB LEU 49 1HB LEU 49 13.192 -9.122 -5.039 350 2HB LEU 49 2HB LEU 49 12.774 -9.708 -6.634 351 HG LEU 49 HG LEU 49 11.758 -7.716 -7.298 352 1HD1 LEU 49 1HD1 LEU 49 13.416 -6.063 -5.292 353 2HD1 LEU 49 2HD1 LEU 49 13.858 -6.303 -6.993 354 3HD1 LEU 49 3HD1 LEU 49 12.358 -5.435 -6.581 355 1HD2 LEU 49 1HD2 LEU 49 10.333 -6.839 -5.495 356 2HD2 LEU 49 2HD2 LEU 49 10.599 -8.569 -5.162 357 3HD2 LEU 49 3HD2 LEU 49 11.496 -7.350 -4.244 358 H GLY 50 H GLY 50 14.105 -11.050 -7.009 359 1HA GLY 50 1HA GLY 50 16.774 -12.242 -6.109 360 2HA GLY 50 2HA GLY 50 15.327 -12.713 -5.208 361 H GLN 51 H GLN 51 13.735 -13.955 -6.162 362 HA GLN 51 HA GLN 51 14.636 -15.848 -8.331 363 1HB GLN 51 1HB GLN 51 11.941 -15.842 -6.860 364 2HB GLN 51 2HB GLN 51 12.626 -17.135 -7.827 365 1HG GLN 51 1HG GLN 51 14.625 -17.102 -6.071 366 2HG GLN 51 2HG GLN 51 13.129 -17.932 -5.708 367 1HE2 GLN 51 1HE2 GLN 51 14.364 -15.158 -3.107 368 2HE2 GLN 51 2HE2 GLN 51 15.389 -15.952 -4.405 369 H ASN 52 H ASN 52 12.301 -16.424 -9.614 370 HA ASN 52 HA ASN 52 11.075 -13.921 -10.732 371 1HB ASN 52 1HB ASN 52 12.426 -15.812 -12.728 372 2HB ASN 52 2HB ASN 52 13.310 -14.484 -12.009 373 1HD2 ASN 52 1HD2 ASN 52 11.614 -13.527 -15.341 374 2HD2 ASN 52 2HD2 ASN 52 12.678 -14.918 -14.793 375 HA PRO 53 HA PRO 53 7.805 -17.415 -10.284 376 1HB PRO 53 1HB PRO 53 6.104 -14.989 -11.003 377 2HB PRO 53 2HB PRO 53 5.876 -16.256 -9.789 378 1HG PRO 53 1HG PRO 53 6.788 -13.768 -9.095 379 2HG PRO 53 2HG PRO 53 7.244 -15.216 -8.167 380 1HD PRO 53 1HD PRO 53 9.458 -14.598 -8.799 381 2HD PRO 53 2HD PRO 53 8.882 -13.577 -10.149 382 H THR 54 H THR 54 6.279 -18.227 -11.888 383 HA THR 54 HA THR 54 7.359 -18.044 -14.704 384 HB THR 54 HB THR 54 6.678 -20.253 -13.404 385 HG1 THR 54 HG1 THR 54 7.359 -20.725 -15.272 386 1HG2 THR 54 1HG2 THR 54 4.474 -21.171 -14.050 387 2HG2 THR 54 2HG2 THR 54 4.249 -19.724 -13.040 388 3HG2 THR 54 3HG2 THR 54 4.003 -19.628 -14.803 389 H LYS 55 H LYS 55 5.593 -18.136 -16.449 390 HA LYS 55 HA LYS 55 4.359 -15.554 -16.660 391 1HB LYS 55 1HB LYS 55 4.371 -16.298 -18.799 392 2HB LYS 55 2HB LYS 55 2.807 -17.003 -18.447 393 1HG LYS 55 1HG LYS 55 4.136 -19.163 -17.749 394 2HG LYS 55 2HG LYS 55 3.870 -18.804 -19.446 395 1HD LYS 55 1HD LYS 55 6.146 -18.764 -19.847 396 2HD LYS 55 2HD LYS 55 6.337 -19.384 -18.215 397 1HE LYS 55 1HE LYS 55 6.077 -16.628 -17.742 398 2HE LYS 55 2HE LYS 55 7.588 -17.533 -17.750 399 1HZ LYS 55 1HZ LYS 55 6.999 -15.460 -19.386 400 2HZ LYS 55 2HZ LYS 55 6.691 -16.731 -20.394 401 3HZ LYS 55 3HZ LYS 55 8.180 -16.572 -19.696 402 H GLU 56 H GLU 56 3.124 -18.607 -15.407 403 HA GLU 56 HA GLU 56 0.259 -17.815 -15.278 404 1HB GLU 56 1HB GLU 56 0.252 -19.940 -13.644 405 2HB GLU 56 2HB GLU 56 1.844 -20.220 -14.319 406 1HG GLU 56 1HG GLU 56 0.782 -21.350 -15.995 407 2HG GLU 56 2HG GLU 56 0.327 -19.785 -16.646 408 H GLU 57 H GLU 57 3.036 -17.888 -13.090 409 HA GLU 57 HA GLU 57 1.674 -17.327 -10.545 410 1HB GLU 57 1HB GLU 57 3.868 -16.649 -9.652 411 2HB GLU 57 2HB GLU 57 4.556 -16.618 -11.261 412 1HG GLU 57 1HG GLU 57 3.757 -19.234 -11.284 413 2HG GLU 57 2HG GLU 57 5.321 -18.721 -10.664 414 H LEU 58 H LEU 58 2.860 -15.333 -13.194 415 HA LEU 58 HA LEU 58 2.618 -12.701 -11.836 416 1HB LEU 58 1HB LEU 58 3.090 -13.588 -14.720 417 2HB LEU 58 2HB LEU 58 2.710 -11.914 -14.369 418 HG LEU 58 HG LEU 58 4.938 -13.171 -12.727 419 1HD1 LEU 58 1HD1 LEU 58 4.847 -10.443 -14.177 420 2HD1 LEU 58 2HD1 LEU 58 4.268 -10.683 -12.522 421 3HD1 LEU 58 3HD1 LEU 58 5.987 -10.950 -12.904 422 1HD2 LEU 58 1HD2 LEU 58 6.612 -13.006 -14.531 423 2HD2 LEU 58 2HD2 LEU 58 5.297 -14.075 -15.079 424 3HD2 LEU 58 3HD2 LEU 58 5.388 -12.410 -15.681 425 H ASP 59 H ASP 59 0.617 -14.791 -13.845 426 HA ASP 59 HA ASP 59 -1.588 -12.999 -14.501 427 1HB ASP 59 1HB ASP 59 -1.242 -15.252 -15.580 428 2HB ASP 59 2HB ASP 59 -1.747 -16.038 -14.102 429 H ALA 60 H ALA 60 -0.784 -14.875 -11.635 430 HA ALA 60 HA ALA 60 -3.315 -14.480 -10.157 431 1HB ALA 60 1HB ALA 60 -2.053 -15.337 -8.189 432 2HB ALA 60 2HB ALA 60 -1.793 -16.355 -9.619 433 3HB ALA 60 3HB ALA 60 -0.519 -15.228 -9.086 434 H ILE 61 H ILE 61 -0.262 -12.740 -10.436 435 HA ILE 61 HA ILE 61 -0.551 -10.900 -8.162 436 HB ILE 61 HB ILE 61 1.311 -11.158 -10.462 437 1HG1 ILE 61 1HG1 ILE 61 1.432 -11.300 -7.594 438 2HG1 ILE 61 2HG1 ILE 61 2.722 -11.585 -8.743 439 1HG2 ILE 61 1HG2 ILE 61 2.221 -8.820 -10.357 440 2HG2 ILE 61 2HG2 ILE 61 0.562 -8.813 -10.951 441 3HG2 ILE 61 3HG2 ILE 61 0.896 -8.333 -9.271 442 1HD1 ILE 61 1HD1 ILE 61 2.140 -8.858 -7.443 443 2HD1 ILE 61 2HD1 ILE 61 3.502 -9.951 -7.116 444 3HD1 ILE 61 3HD1 ILE 61 3.376 -9.147 -8.698 445 H ILE 62 H ILE 62 -1.555 -10.865 -11.551 446 HA ILE 62 HA ILE 62 -2.557 -8.048 -11.554 447 HB ILE 62 HB ILE 62 -2.884 -10.290 -13.612 448 1HG1 ILE 62 1HG1 ILE 62 -0.685 -9.725 -14.013 449 2HG1 ILE 62 2HG1 ILE 62 -0.787 -8.217 -13.131 450 1HG2 ILE 62 1HG2 ILE 62 -3.769 -8.563 -15.205 451 2HG2 ILE 62 2HG2 ILE 62 -4.842 -8.719 -13.816 452 3HG2 ILE 62 3HG2 ILE 62 -3.736 -7.331 -13.919 453 1HD1 ILE 62 1HD1 ILE 62 -1.758 -7.009 -15.066 454 2HD1 ILE 62 2HD1 ILE 62 -0.255 -7.832 -15.531 455 3HD1 ILE 62 3HD1 ILE 62 -1.823 -8.524 -16.009 456 H GLU 63 H GLU 63 -3.838 -11.319 -11.157 457 HA GLU 63 HA GLU 63 -6.658 -10.950 -11.156 458 1HB GLU 63 1HB GLU 63 -5.518 -13.150 -10.856 459 2HB GLU 63 2HB GLU 63 -5.104 -12.735 -9.204 460 1HG GLU 63 1HG GLU 63 -7.753 -12.433 -8.885 461 2HG GLU 63 2HG GLU 63 -7.869 -13.346 -10.380 462 H GLU 64 H GLU 64 -4.521 -10.692 -8.290 463 HA GLU 64 HA GLU 64 -6.436 -9.839 -6.332 464 1HB GLU 64 1HB GLU 64 -3.454 -9.673 -6.565 465 2HB GLU 64 2HB GLU 64 -4.168 -8.516 -5.460 466 1HG GLU 64 1HG GLU 64 -4.015 -11.537 -5.258 467 2HG GLU 64 2HG GLU 64 -5.474 -10.807 -4.612 468 H VAL 65 H VAL 65 -4.156 -7.715 -8.105 469 HA VAL 65 HA VAL 65 -5.794 -5.241 -7.627 470 HB VAL 65 HB VAL 65 -4.126 -3.987 -8.818 471 1HG1 VAL 65 1HG1 VAL 65 -2.078 -4.459 -7.462 472 2HG1 VAL 65 2HG1 VAL 65 -3.539 -4.606 -6.468 473 3HG1 VAL 65 3HG1 VAL 65 -2.700 -6.071 -7.030 474 1HG2 VAL 65 1HG2 VAL 65 -2.756 -6.624 -9.690 475 2HG2 VAL 65 2HG2 VAL 65 -3.589 -5.467 -10.757 476 3HG2 VAL 65 3HG2 VAL 65 -2.104 -4.984 -9.925 477 H ASP 66 H ASP 66 -5.332 -4.154 -10.299 478 HA ASP 66 HA ASP 66 -6.598 -3.846 -12.312 479 1HB ASP 66 1HB ASP 66 -5.266 -6.384 -12.490 480 2HB ASP 66 2HB ASP 66 -6.877 -6.652 -13.115 481 H GLU 67 H GLU 67 -8.252 -3.353 -10.595 482 HA GLU 67 HA GLU 67 -10.546 -5.279 -10.264 483 1HB GLU 67 1HB GLU 67 -9.527 -3.562 -8.505 484 2HB GLU 67 2HB GLU 67 -11.216 -4.032 -8.481 485 1HG GLU 67 1HG GLU 67 -10.506 -1.550 -10.099 486 2HG GLU 67 2HG GLU 67 -11.973 -1.910 -9.204 487 H ASP 68 H ASP 68 -9.889 -4.325 -12.957 488 HA ASP 68 HA ASP 68 -12.393 -2.713 -13.668 489 1HB ASP 68 1HB ASP 68 -10.635 -1.229 -14.214 490 2HB ASP 68 2HB ASP 68 -11.147 -1.921 -15.736 491 H GLY 69 H GLY 69 -9.982 -4.823 -15.287 492 1HA GLY 69 1HA GLY 69 -12.197 -6.113 -16.948 493 2HA GLY 69 2HA GLY 69 -11.231 -7.186 -15.933 494 H SER 70 H SER 70 -10.068 -4.297 -17.608 495 HA SER 70 HA SER 70 -9.184 -5.174 -20.122 496 1HB SER 70 1HB SER 70 -7.745 -3.314 -20.224 497 2HB SER 70 2HB SER 70 -8.972 -2.827 -19.052 498 HG SER 70 HG SER 70 -6.740 -2.463 -18.474 499 H GLY 71 H GLY 71 -7.420 -5.545 -17.037 500 1HA GLY 71 1HA GLY 71 -6.139 -7.647 -16.474 501 2HA GLY 71 2HA GLY 71 -5.869 -7.901 -18.202 502 H THR 72 H THR 72 -5.192 -5.108 -18.723 503 HA THR 72 HA THR 72 -2.283 -5.124 -17.887 504 HB THR 72 HB THR 72 -2.287 -2.930 -19.381 505 HG1 THR 72 HG1 THR 72 -4.382 -2.713 -19.787 506 1HG2 THR 72 1HG2 THR 72 -1.814 -4.209 -21.431 507 2HG2 THR 72 2HG2 THR 72 -1.050 -5.031 -20.053 508 3HG2 THR 72 3HG2 THR 72 -2.550 -5.683 -20.764 509 H ILE 73 H ILE 73 -1.328 -3.128 -17.055 510 HA ILE 73 HA ILE 73 -3.170 -1.566 -15.160 511 HB ILE 73 HB ILE 73 -0.311 -2.528 -14.654 512 1HG1 ILE 73 1HG1 ILE 73 -2.705 -3.116 -12.836 513 2HG1 ILE 73 2HG1 ILE 73 -2.492 -4.070 -14.289 514 1HG2 ILE 73 1HG2 ILE 73 -0.375 -1.346 -12.461 515 2HG2 ILE 73 2HG2 ILE 73 -0.613 -0.178 -13.768 516 3HG2 ILE 73 3HG2 ILE 73 -2.004 -0.714 -12.795 517 1HD1 ILE 73 1HD1 ILE 73 -0.420 -3.890 -12.024 518 2HD1 ILE 73 2HD1 ILE 73 -1.471 -5.265 -12.428 519 3HD1 ILE 73 3HD1 ILE 73 -0.183 -4.777 -13.556 520 H ASP 74 H ASP 74 -3.514 0.196 -16.358 521 HA ASP 74 HA ASP 74 -1.398 1.573 -17.954 522 1HB ASP 74 1HB ASP 74 -3.979 3.027 -17.375 523 2HB ASP 74 2HB ASP 74 -3.032 2.948 -18.842 524 H PHE 75 H PHE 75 -1.473 4.134 -17.585 525 HA PHE 75 HA PHE 75 -0.030 4.627 -15.028 526 1HB PHE 75 1HB PHE 75 0.474 5.723 -17.328 527 2HB PHE 75 2HB PHE 75 -0.916 6.743 -17.073 528 HD1 PHE 75 HD1 PHE 75 1.269 8.361 -17.432 529 HD2 PHE 75 HD2 PHE 75 0.411 6.184 -13.820 530 HE1 PHE 75 HE1 PHE 75 2.619 9.958 -16.136 531 HE2 PHE 75 HE2 PHE 75 1.761 7.798 -12.540 532 HZ PHE 75 HZ PHE 75 2.864 9.683 -13.691 533 H GLU 76 H GLU 76 -3.220 5.250 -16.375 534 HA GLU 76 HA GLU 76 -4.205 7.244 -14.492 535 1HB GLU 76 1HB GLU 76 -6.143 7.208 -15.621 536 2HB GLU 76 2HB GLU 76 -5.197 6.318 -16.796 537 1HG GLU 76 1HG GLU 76 -6.113 4.129 -15.685 538 2HG GLU 76 2HG GLU 76 -7.206 5.161 -14.787 539 H GLU 77 H GLU 77 -4.565 3.696 -14.551 540 HA GLU 77 HA GLU 77 -5.982 3.572 -11.918 541 1HB GLU 77 1HB GLU 77 -6.418 1.373 -12.322 542 2HB GLU 77 2HB GLU 77 -6.242 1.952 -13.962 543 1HG GLU 77 1HG GLU 77 -3.814 1.076 -13.955 544 2HG GLU 77 2HG GLU 77 -4.121 0.373 -12.370 545 H PHE 78 H PHE 78 -2.707 3.199 -13.107 546 HA PHE 78 HA PHE 78 -1.402 1.833 -10.950 547 1HB PHE 78 1HB PHE 78 -0.293 4.111 -12.704 548 2HB PHE 78 2HB PHE 78 -0.236 2.407 -13.077 549 HD1 PHE 78 HD1 PHE 78 0.938 0.962 -10.939 550 HD2 PHE 78 HD2 PHE 78 1.684 5.086 -11.911 551 HE1 PHE 78 HE1 PHE 78 3.121 0.846 -9.806 552 HE2 PHE 78 HE2 PHE 78 3.866 4.949 -10.781 553 HZ PHE 78 HZ PHE 78 4.590 2.833 -9.731 554 H LEU 79 H LEU 79 -2.421 5.198 -11.249 555 HA LEU 79 HA LEU 79 -1.111 6.125 -8.719 556 1HB LEU 79 1HB LEU 79 -3.236 7.601 -10.379 557 2HB LEU 79 2HB LEU 79 -2.208 8.297 -9.146 558 HG LEU 79 HG LEU 79 -0.984 7.034 -11.662 559 1HD1 LEU 79 1HD1 LEU 79 0.087 9.265 -9.822 560 2HD1 LEU 79 2HD1 LEU 79 0.525 7.552 -9.674 561 3HD1 LEU 79 3HD1 LEU 79 0.963 8.455 -11.146 562 1HD2 LEU 79 1HD2 LEU 79 -1.011 9.205 -12.815 563 2HD2 LEU 79 2HD2 LEU 79 -2.689 8.844 -12.340 564 3HD2 LEU 79 3HD2 LEU 79 -1.745 10.014 -11.407 565 H VAL 80 H VAL 80 -4.307 5.098 -9.797 566 HA VAL 80 HA VAL 80 -5.934 5.851 -7.517 567 HB VAL 80 HB VAL 80 -6.396 3.296 -9.126 568 1HG1 VAL 80 1HG1 VAL 80 -7.393 6.099 -9.946 569 2HG1 VAL 80 2HG1 VAL 80 -5.969 5.335 -10.665 570 3HG1 VAL 80 3HG1 VAL 80 -7.565 4.571 -10.847 571 1HG2 VAL 80 1HG2 VAL 80 -8.785 3.643 -8.691 572 2HG2 VAL 80 2HG2 VAL 80 -7.951 3.713 -7.121 573 3HG2 VAL 80 3HG2 VAL 80 -8.484 5.210 -7.901 574 H MET 81 H MET 81 -3.784 3.113 -8.117 575 HA MET 81 HA MET 81 -4.348 1.357 -5.894 576 1HB MET 81 1HB MET 81 -1.429 1.656 -6.510 577 2HB MET 81 2HB MET 81 -2.438 1.371 -7.917 578 1HG MET 81 1HG MET 81 -3.220 -0.775 -7.092 579 2HG MET 81 2HG MET 81 -2.651 -0.447 -5.447 580 1HE MET 81 1HE MET 81 -1.947 -3.143 -6.753 581 2HE MET 81 2HE MET 81 -0.174 -3.304 -6.570 582 3HE MET 81 3HE MET 81 -1.157 -2.690 -5.210 583 H MET 82 H MET 82 -1.610 3.650 -5.999 584 HA MET 82 HA MET 82 -0.935 3.528 -3.188 585 1HB MET 82 1HB MET 82 -0.295 5.481 -5.412 586 2HB MET 82 2HB MET 82 0.041 5.997 -3.769 587 1HG MET 82 1HG MET 82 1.070 3.284 -4.795 588 2HG MET 82 2HG MET 82 1.930 4.787 -5.153 589 1HE MET 82 1HE MET 82 3.492 2.634 -3.827 590 2HE MET 82 2HE MET 82 2.235 1.857 -2.819 591 3HE MET 82 3HE MET 82 3.643 2.638 -2.041 592 H VAL 83 H VAL 83 -3.320 5.442 -4.913 593 HA VAL 83 HA VAL 83 -3.789 7.573 -2.974 594 HB VAL 83 HB VAL 83 -5.112 6.655 -5.450 595 1HG1 VAL 83 1HG1 VAL 83 -7.327 7.745 -5.051 596 2HG1 VAL 83 2HG1 VAL 83 -7.118 6.349 -3.984 597 3HG1 VAL 83 3HG1 VAL 83 -6.920 7.993 -3.333 598 1HG2 VAL 83 1HG2 VAL 83 -4.866 9.464 -4.183 599 2HG2 VAL 83 2HG2 VAL 83 -3.747 8.760 -5.372 600 3HG2 VAL 83 3HG2 VAL 83 -5.417 9.109 -5.841 601 NH1 ARG 84 NH1 ARG 84 -8.442 -0.796 -5.331 602 NH2 ARG 84 NH2 ARG 84 -9.579 -1.561 -3.520 603 H ARG 84 H ARG 84 -5.245 4.364 -3.453 604 HA ARG 84 HA ARG 84 -7.376 4.576 -1.393 605 1HB ARG 84 1HB ARG 84 -6.284 2.400 -3.169 606 2HB ARG 84 2HB ARG 84 -6.954 1.854 -1.639 607 1HG ARG 84 1HG ARG 84 -9.140 2.476 -2.144 608 2HG ARG 84 2HG ARG 84 -8.664 3.831 -3.171 609 1HD ARG 84 1HD ARG 84 -9.085 2.518 -4.985 610 2HD ARG 84 2HD ARG 84 -7.640 1.585 -4.590 611 HE ARG 84 HE ARG 84 -10.365 0.828 -3.404 612 1HH1 ARG 84 1HH1 ARG 84 -8.110 0.013 -5.868 613 2HH1 ARG 84 2HH1 ARG 84 -8.270 -1.786 -5.541 614 1HH2 ARG 84 1HH2 ARG 84 -10.099 -1.335 -2.664 615 2HH2 ARG 84 2HH2 ARG 84 -9.336 -2.497 -3.862 616 H GLN 85 H GLN 85 -4.025 3.455 -1.483 617 HA GLN 85 HA GLN 85 -3.960 2.119 1.160 618 1HB GLN 85 1HB GLN 85 -1.354 2.523 0.815 619 2HB GLN 85 2HB GLN 85 -1.815 3.046 -0.794 620 1HG GLN 85 1HG GLN 85 -3.014 0.412 0.025 621 2HG GLN 85 2HG GLN 85 -2.364 0.910 -1.521 622 1HE2 GLN 85 1HE2 GLN 85 0.059 -1.619 -0.256 623 2HE2 GLN 85 2HE2 GLN 85 -1.672 -1.529 -0.859 624 H MET 86 H MET 86 -3.486 5.397 -0.018 625 HA MET 86 HA MET 86 -2.003 6.698 2.050 626 1HB MET 86 1HB MET 86 -3.245 7.586 -0.225 627 2HB MET 86 2HB MET 86 -2.490 8.606 0.985 628 1HG MET 86 1HG MET 86 -5.487 7.955 0.613 629 2HG MET 86 2HG MET 86 -4.909 8.644 2.137 630 1HE MET 86 1HE MET 86 -5.831 9.278 -1.606 631 2HE MET 86 2HE MET 86 -4.945 10.773 -2.026 632 3HE MET 86 3HE MET 86 -4.051 9.240 -1.810 633 H LYS 87 H LYS 87 -5.441 5.844 1.928 634 HA LYS 87 HA LYS 87 -6.491 7.141 4.281 635 1HB LYS 87 1HB LYS 87 -8.342 5.719 4.198 636 2HB LYS 87 2HB LYS 87 -7.763 5.655 2.540 637 1HG LYS 87 1HG LYS 87 -6.506 3.488 3.118 638 2HG LYS 87 2HG LYS 87 -7.304 3.492 4.682 639 1HD LYS 87 1HD LYS 87 -9.452 3.807 2.842 640 2HD LYS 87 2HD LYS 87 -8.325 2.762 1.986 641 1HE LYS 87 1HE LYS 87 -9.678 2.192 4.699 642 2HE LYS 87 2HE LYS 87 -9.851 1.281 3.192 643 1HZ LYS 87 1HZ LYS 87 -8.123 0.667 5.165 644 2HZ LYS 87 2HZ LYS 87 -7.116 1.465 4.127 645 3HZ LYS 87 3HZ LYS 87 -7.969 0.150 3.604 646 H GLU 88 H GLU 88 -6.227 6.875 6.381 647 HA GLU 88 HA GLU 88 -4.010 5.249 7.491 648 1HB GLU 88 1HB GLU 88 -4.409 7.355 8.534 649 2HB GLU 88 2HB GLU 88 -4.751 6.107 9.717 650 1HG GLU 88 1HG GLU 88 -7.221 6.436 9.397 651 2HG GLU 88 2HG GLU 88 -6.929 7.590 8.108 652 H ASP 89 H ASP 89 -7.558 5.078 7.490 653 HA ASP 89 HA ASP 89 -7.762 2.181 7.599 654 1HB ASP 89 1HB ASP 89 -7.848 3.500 10.352 655 2HB ASP 89 2HB ASP 89 -6.914 2.120 9.823 656 H ALA 90 H ALA 90 -9.580 1.870 6.603 657 HA ALA 90 HA ALA 90 -11.866 2.048 5.842 658 1HB ALA 90 1HB ALA 90 -13.557 3.123 7.351 659 2HB ALA 90 2HB ALA 90 -12.528 2.000 8.260 660 3HB ALA 90 3HB ALA 90 -12.264 3.755 8.400 Start of MODEL 22 Raw file had 660 H/Q atoms Start of MODEL 22 1 1H ALA 1 1H ALA 1 -18.297 10.690 -16.989 2 2H ALA 1 2H ALA 1 -18.505 11.684 -15.649 3 3H ALA 1 3H ALA 1 -16.985 11.527 -16.351 4 HA ALA 1 HA ALA 1 -17.183 9.068 -15.862 5 1HB ALA 1 1HB ALA 1 -15.795 11.063 -14.662 6 2HB ALA 1 2HB ALA 1 -15.794 9.413 -14.012 7 3HB ALA 1 3HB ALA 1 -16.843 10.655 -13.282 8 H SER 2 H SER 2 -18.378 7.545 -14.878 9 HA SER 2 HA SER 2 -20.623 8.295 -12.949 10 1HB SER 2 1HB SER 2 -21.300 6.162 -14.976 11 2HB SER 2 2HB SER 2 -22.349 7.288 -14.112 12 HG SER 2 HG SER 2 -20.604 7.821 -16.278 13 H MET 3 H MET 3 -19.440 5.358 -14.620 14 HA MET 3 HA MET 3 -19.344 3.793 -12.043 15 1HB MET 3 1HB MET 3 -18.439 2.627 -14.698 16 2HB MET 3 2HB MET 3 -19.221 1.836 -13.341 17 1HG MET 3 1HG MET 3 -21.044 3.876 -14.440 18 2HG MET 3 2HG MET 3 -20.437 2.846 -15.742 19 1HE MET 3 1HE MET 3 -20.695 2.181 -12.009 20 2HE MET 3 2HE MET 3 -21.711 0.716 -11.872 21 3HE MET 3 3HE MET 3 -22.481 2.326 -11.964 22 H THR 4 H THR 4 -17.486 2.831 -11.231 23 HA THR 4 HA THR 4 -15.224 2.808 -10.483 24 HB THR 4 HB THR 4 -15.369 1.395 -12.609 25 HG1 THR 4 HG1 THR 4 -13.207 0.955 -12.356 26 1HG2 THR 4 1HG2 THR 4 -13.260 3.289 -13.766 27 2HG2 THR 4 2HG2 THR 4 -14.954 3.377 -14.298 28 3HG2 THR 4 3HG2 THR 4 -14.020 1.876 -14.530 29 H ASP 5 H ASP 5 -16.198 5.333 -10.365 30 HA ASP 5 HA ASP 5 -14.215 7.289 -11.525 31 1HB ASP 5 1HB ASP 5 -16.463 8.137 -11.433 32 2HB ASP 5 2HB ASP 5 -15.500 9.041 -10.285 33 H GLN 6 H GLN 6 -12.979 5.325 -10.024 34 HA GLN 6 HA GLN 6 -12.465 6.288 -7.199 35 1HB GLN 6 1HB GLN 6 -12.697 3.829 -7.730 36 2HB GLN 6 2HB GLN 6 -11.258 4.276 -6.833 37 1HG GLN 6 1HG GLN 6 -10.037 4.285 -9.191 38 2HG GLN 6 2HG GLN 6 -11.442 3.419 -9.771 39 1HE2 GLN 6 1HE2 GLN 6 -8.982 0.797 -8.725 40 2HE2 GLN 6 2HE2 GLN 6 -9.024 2.191 -9.917 41 H GLN 7 H GLN 7 -10.952 6.165 -10.382 42 HA GLN 7 HA GLN 7 -8.210 7.000 -9.496 43 1HB GLN 7 1HB GLN 7 -7.613 6.222 -11.536 44 2HB GLN 7 2HB GLN 7 -8.467 7.566 -12.278 45 1HG GLN 7 1HG GLN 7 -10.577 5.775 -11.784 46 2HG GLN 7 2HG GLN 7 -9.798 6.071 -13.331 47 1HE2 GLN 7 1HE2 GLN 7 -9.150 2.508 -13.230 48 2HE2 GLN 7 2HE2 GLN 7 -10.110 3.884 -13.973 49 H ALA 8 H ALA 8 -11.130 8.501 -10.796 50 HA ALA 8 HA ALA 8 -10.242 11.125 -11.535 51 1HB ALA 8 1HB ALA 8 -12.569 11.889 -11.087 52 2HB ALA 8 2HB ALA 8 -12.552 10.332 -11.938 53 3HB ALA 8 3HB ALA 8 -12.924 10.389 -10.196 54 H GLU 9 H GLU 9 -10.928 9.768 -8.340 55 HA GLU 9 HA GLU 9 -10.747 12.325 -6.828 56 1HB GLU 9 1HB GLU 9 -11.045 11.070 -4.804 57 2HB GLU 9 2HB GLU 9 -12.127 10.398 -6.015 58 1HG GLU 9 1HG GLU 9 -9.571 8.899 -6.043 59 2HG GLU 9 2HG GLU 9 -11.220 8.308 -5.875 60 H ALA 10 H ALA 10 -8.583 9.607 -7.523 61 HA ALA 10 HA ALA 10 -6.348 10.263 -5.751 62 1HB ALA 10 1HB ALA 10 -4.995 8.787 -7.231 63 2HB ALA 10 2HB ALA 10 -6.560 8.048 -6.840 64 3HB ALA 10 3HB ALA 10 -6.292 8.765 -8.450 65 NH1 ARG 11 NH1 ARG 11 -6.594 12.879 -15.624 66 NH2 ARG 11 NH2 ARG 11 -6.999 14.987 -14.882 67 H ARG 11 H ARG 11 -7.392 11.488 -8.867 68 HA ARG 11 HA ARG 11 -4.936 12.942 -9.673 69 1HB ARG 11 1HB ARG 11 -7.639 13.965 -10.581 70 2HB ARG 11 2HB ARG 11 -6.136 13.772 -11.470 71 1HG ARG 11 1HG ARG 11 -6.754 11.101 -10.887 72 2HG ARG 11 2HG ARG 11 -8.359 11.804 -11.103 73 1HD ARG 11 1HD ARG 11 -6.050 11.729 -13.124 74 2HD ARG 11 2HD ARG 11 -7.671 11.057 -13.312 75 HE ARG 11 HE ARG 11 -8.306 13.743 -13.120 76 1HH1 ARG 11 1HH1 ARG 11 -7.363 15.588 -14.134 77 2HH1 ARG 11 2HH1 ARG 11 -6.612 15.291 -15.782 78 1HH2 ARG 11 1HH2 ARG 11 -6.582 11.874 -15.416 79 2HH2 ARG 11 2HH2 ARG 11 -6.306 13.328 -16.500 80 H ALA 12 H ALA 12 -8.092 14.213 -8.570 81 HA ALA 12 HA ALA 12 -7.430 16.940 -8.155 82 1HB ALA 12 1HB ALA 12 -9.339 17.084 -6.571 83 2HB ALA 12 2HB ALA 12 -9.752 16.097 -7.987 84 3HB ALA 12 3HB ALA 12 -9.397 15.310 -6.428 85 H PHE 13 H PHE 13 -6.736 14.180 -6.080 86 HA PHE 13 HA PHE 13 -5.874 15.720 -3.702 87 1HB PHE 13 1HB PHE 13 -6.827 13.377 -3.660 88 2HB PHE 13 2HB PHE 13 -5.359 12.762 -4.373 89 HD1 PHE 13 HD1 PHE 13 -6.935 14.080 -1.291 90 HD2 PHE 13 HD2 PHE 13 -3.197 12.795 -2.997 91 HE1 PHE 13 HE1 PHE 13 -5.978 13.831 0.963 92 HE2 PHE 13 HE2 PHE 13 -2.261 12.550 -0.736 93 HZ PHE 13 HZ PHE 13 -3.644 13.068 1.245 94 H LEU 14 H LEU 14 -4.201 13.883 -6.268 95 HA LEU 14 HA LEU 14 -1.461 14.845 -5.340 96 1HB LEU 14 1HB LEU 14 -1.891 12.909 -7.658 97 2HB LEU 14 2HB LEU 14 -0.485 13.097 -6.631 98 HG LEU 14 HG LEU 14 -3.119 12.051 -5.457 99 1HD1 LEU 14 1HD1 LEU 14 -0.201 11.525 -4.613 100 2HD1 LEU 14 2HD1 LEU 14 -1.240 12.767 -3.891 101 3HD1 LEU 14 3HD1 LEU 14 -1.674 11.047 -3.730 102 1HD2 LEU 14 1HD2 LEU 14 -2.472 9.726 -5.939 103 2HD2 LEU 14 2HD2 LEU 14 -2.468 10.607 -7.486 104 3HD2 LEU 14 3HD2 LEU 14 -0.936 10.244 -6.679 105 H SER 15 H SER 15 -0.955 16.752 -6.097 106 HA SER 15 HA SER 15 -1.970 18.067 -8.505 107 1HB SER 15 1HB SER 15 -0.625 19.890 -7.941 108 2HB SER 15 2HB SER 15 -0.879 19.116 -6.375 109 HG SER 15 HG SER 15 1.244 19.510 -6.547 110 H GLU 16 H GLU 16 0.228 19.092 -9.789 111 HA GLU 16 HA GLU 16 0.967 16.880 -11.655 112 1HB GLU 16 1HB GLU 16 1.405 19.894 -11.690 113 2HB GLU 16 2HB GLU 16 0.354 18.926 -12.705 114 1HG GLU 16 1HG GLU 16 2.750 17.830 -13.476 115 2HG GLU 16 2HG GLU 16 3.355 19.380 -12.916 116 H GLU 17 H GLU 17 2.503 18.868 -9.199 117 HA GLU 17 HA GLU 17 5.321 18.133 -9.845 118 1HB GLU 17 1HB GLU 17 4.170 19.480 -7.347 119 2HB GLU 17 2HB GLU 17 5.880 19.172 -7.582 120 1HG GLU 17 1HG GLU 17 4.078 21.198 -8.957 121 2HG GLU 17 2HG GLU 17 5.391 20.542 -9.919 122 H MET 18 H MET 18 2.789 16.998 -7.671 123 HA MET 18 HA MET 18 4.414 14.985 -6.204 124 1HB MET 18 1HB MET 18 1.508 14.393 -6.289 125 2HB MET 18 2HB MET 18 1.820 16.072 -5.887 126 1HG MET 18 1HG MET 18 2.448 13.590 -4.279 127 2HG MET 18 2HG MET 18 3.626 14.908 -4.164 128 1HE MET 18 1HE MET 18 3.429 16.163 -2.000 129 2HE MET 18 2HE MET 18 1.937 16.172 -1.014 130 3HE MET 18 3HE MET 18 2.702 14.618 -1.459 131 H ILE 19 H ILE 19 2.414 15.056 -9.105 132 HA ILE 19 HA ILE 19 2.084 12.194 -9.555 133 HB ILE 19 HB ILE 19 1.746 14.642 -11.264 134 1HG1 ILE 19 1HG1 ILE 19 -0.518 14.005 -11.367 135 2HG1 ILE 19 2HG1 ILE 19 -0.174 12.290 -11.292 136 1HG2 ILE 19 1HG2 ILE 19 1.357 13.341 -13.372 137 2HG2 ILE 19 2HG2 ILE 19 3.034 13.176 -12.856 138 3HG2 ILE 19 3HG2 ILE 19 1.892 11.842 -12.573 139 1HD1 ILE 19 1HD1 ILE 19 -0.098 14.174 -8.861 140 2HD1 ILE 19 2HD1 ILE 19 -1.303 12.924 -9.232 141 3HD1 ILE 19 3HD1 ILE 19 0.363 12.450 -8.828 142 H ALA 20 H ALA 20 4.674 14.478 -10.271 143 HA ALA 20 HA ALA 20 6.221 12.902 -12.174 144 1HB ALA 20 1HB ALA 20 8.081 14.483 -11.679 145 2HB ALA 20 2HB ALA 20 6.544 15.341 -11.899 146 3HB ALA 20 3HB ALA 20 7.209 15.114 -10.262 147 H GLU 21 H GLU 21 6.080 12.919 -8.660 148 HA GLU 21 HA GLU 21 8.629 11.604 -8.070 149 1HB GLU 21 1HB GLU 21 7.226 10.963 -5.848 150 2HB GLU 21 2HB GLU 21 6.117 12.165 -6.479 151 1HG GLU 21 1HG GLU 21 7.476 13.492 -5.104 152 2HG GLU 21 2HG GLU 21 8.267 13.734 -6.652 153 H PHE 22 H PHE 22 5.371 10.426 -8.767 154 HA PHE 22 HA PHE 22 6.028 7.546 -8.133 155 1HB PHE 22 1HB PHE 22 3.416 8.789 -9.198 156 2HB PHE 22 2HB PHE 22 3.633 7.108 -8.796 157 HD1 PHE 22 HD1 PHE 22 3.059 10.453 -7.378 158 HD2 PHE 22 HD2 PHE 22 4.048 6.382 -6.387 159 HE1 PHE 22 HE1 PHE 22 2.562 10.897 -5.011 160 HE2 PHE 22 HE2 PHE 22 3.545 6.848 -4.023 161 HZ PHE 22 HZ PHE 22 2.784 9.095 -3.333 162 H LYS 23 H LYS 23 5.660 9.699 -10.875 163 HA LYS 23 HA LYS 23 5.346 7.640 -13.012 164 1HB LYS 23 1HB LYS 23 5.167 9.375 -14.522 165 2HB LYS 23 2HB LYS 23 4.680 10.212 -13.064 166 1HG LYS 23 1HG LYS 23 7.205 10.986 -12.886 167 2HG LYS 23 2HG LYS 23 6.099 11.766 -14.004 168 1HD LYS 23 1HD LYS 23 7.077 9.807 -15.683 169 2HD LYS 23 2HD LYS 23 8.473 9.990 -14.615 170 1HE LYS 23 1HE LYS 23 8.543 11.517 -16.666 171 2HE LYS 23 2HE LYS 23 7.105 12.357 -16.067 172 1HZ LYS 23 1HZ LYS 23 9.375 12.105 -14.220 173 2HZ LYS 23 2HZ LYS 23 8.297 13.344 -14.400 174 3HZ LYS 23 3HZ LYS 23 9.533 13.161 -15.481 175 H ALA 24 H ALA 24 8.002 9.299 -11.410 176 HA ALA 24 HA ALA 24 10.265 8.680 -13.095 177 1HB ALA 24 1HB ALA 24 11.640 8.792 -11.026 178 2HB ALA 24 2HB ALA 24 10.461 10.116 -11.088 179 3HB ALA 24 3HB ALA 24 10.179 8.722 -10.014 180 H ALA 25 H ALA 25 8.873 6.761 -10.409 181 HA ALA 25 HA ALA 25 10.525 4.328 -11.082 182 1HB ALA 25 1HB ALA 25 9.553 3.369 -9.001 183 2HB ALA 25 2HB ALA 25 10.241 4.977 -8.705 184 3HB ALA 25 3HB ALA 25 8.474 4.773 -8.817 185 H PHE 26 H PHE 26 8.129 5.455 -12.738 186 HA PHE 26 HA PHE 26 6.183 3.140 -12.775 187 1HB PHE 26 1HB PHE 26 5.390 5.513 -13.112 188 2HB PHE 26 2HB PHE 26 6.307 5.628 -14.590 189 HD1 PHE 26 HD1 PHE 26 3.609 3.497 -12.962 190 HD2 PHE 26 HD2 PHE 26 5.219 5.030 -16.645 191 HE1 PHE 26 HE1 PHE 26 1.720 2.524 -14.206 192 HE2 PHE 26 HE2 PHE 26 3.322 4.052 -17.872 193 HZ PHE 26 HZ PHE 26 1.556 2.826 -16.654 194 H ASP 27 H ASP 27 8.784 4.581 -14.699 195 HA ASP 27 HA ASP 27 8.701 2.616 -16.922 196 1HB ASP 27 1HB ASP 27 11.154 4.322 -16.271 197 2HB ASP 27 2HB ASP 27 9.710 5.045 -16.941 198 H MET 28 H MET 28 10.497 2.981 -13.901 199 HA MET 28 HA MET 28 12.518 0.965 -14.076 200 1HB MET 28 1HB MET 28 12.479 2.320 -12.079 201 2HB MET 28 2HB MET 28 10.854 1.812 -11.655 202 1HG MET 28 1HG MET 28 13.114 -0.264 -11.747 203 2HG MET 28 2HG MET 28 11.567 -0.353 -10.888 204 1HE MET 28 1HE MET 28 12.745 -1.038 -8.605 205 2HE MET 28 2HE MET 28 12.840 0.326 -7.451 206 3HE MET 28 3HE MET 28 11.354 0.077 -8.415 207 H PHE 29 H PHE 29 9.134 0.566 -12.997 208 HA PHE 29 HA PHE 29 9.289 -2.400 -12.758 209 1HB PHE 29 1HB PHE 29 6.849 -0.522 -12.720 210 2HB PHE 29 2HB PHE 29 6.746 -2.246 -12.481 211 HD1 PHE 29 HD1 PHE 29 9.349 0.179 -11.135 212 HD2 PHE 29 HD2 PHE 29 6.129 -2.518 -10.189 213 HE1 PHE 29 HE1 PHE 29 9.801 0.463 -8.733 214 HE2 PHE 29 HE2 PHE 29 6.604 -2.224 -7.793 215 HZ PHE 29 HZ PHE 29 8.429 -0.732 -7.060 216 H ASP 30 H ASP 30 8.335 -0.051 -15.196 217 HA ASP 30 HA ASP 30 7.023 -1.785 -17.143 218 1HB ASP 30 1HB ASP 30 8.741 0.480 -18.183 219 2HB ASP 30 2HB ASP 30 7.447 0.901 -17.084 220 H ALA 31 H ALA 31 8.491 -1.595 -19.463 221 HA ALA 31 HA ALA 31 11.180 -2.915 -19.104 222 1HB ALA 31 1HB ALA 31 10.556 -5.039 -20.262 223 2HB ALA 31 2HB ALA 31 9.681 -4.843 -18.731 224 3HB ALA 31 3HB ALA 31 8.842 -4.560 -20.279 225 H ASP 32 H ASP 32 8.513 -2.576 -21.469 226 HA ASP 32 HA ASP 32 10.441 -2.068 -23.744 227 1HB ASP 32 1HB ASP 32 8.068 -1.816 -25.017 228 2HB ASP 32 2HB ASP 32 8.871 -3.346 -24.749 229 H GLY 33 H GLY 33 7.519 -0.456 -22.424 230 1HA GLY 33 1HA GLY 33 7.639 1.964 -21.587 231 2HA GLY 33 2HA GLY 33 8.883 2.245 -22.783 232 H GLY 34 H GLY 34 5.839 0.474 -23.253 233 1HA GLY 34 1HA GLY 34 4.924 2.086 -25.583 234 2HA GLY 34 2HA GLY 34 3.985 0.829 -24.767 235 H GLY 35 H GLY 35 4.167 1.897 -22.123 236 1HA GLY 35 1HA GLY 35 3.702 4.482 -21.328 237 2HA GLY 35 2HA GLY 35 2.231 4.250 -22.282 238 H ASP 36 H ASP 36 1.935 1.441 -21.665 239 HA ASP 36 HA ASP 36 0.995 1.590 -18.751 240 1HB ASP 36 1HB ASP 36 -0.298 -0.417 -20.599 241 2HB ASP 36 2HB ASP 36 -0.952 0.430 -19.216 242 H ILE 37 H ILE 37 1.232 -0.242 -17.474 243 HA ILE 37 HA ILE 37 3.595 -1.995 -18.138 244 HB ILE 37 HB ILE 37 2.299 -2.586 -15.558 245 1HG1 ILE 37 1HG1 ILE 37 3.054 0.315 -16.103 246 2HG1 ILE 37 2HG1 ILE 37 1.724 -0.338 -15.165 247 1HG2 ILE 37 1HG2 ILE 37 4.620 -2.569 -14.730 248 2HG2 ILE 37 2HG2 ILE 37 4.537 -3.455 -16.260 249 3HG2 ILE 37 3HG2 ILE 37 5.198 -1.802 -16.229 250 1HD1 ILE 37 1HD1 ILE 37 4.655 -0.286 -14.226 251 2HD1 ILE 37 2HD1 ILE 37 3.306 0.706 -13.630 252 3HD1 ILE 37 3HD1 ILE 37 3.314 -1.046 -13.327 253 H SER 38 H SER 38 3.363 -4.335 -17.222 254 HA SER 38 HA SER 38 0.668 -5.593 -17.894 255 1HB SER 38 1HB SER 38 2.610 -5.513 -19.853 256 2HB SER 38 2HB SER 38 1.308 -6.701 -19.754 257 HG SER 38 HG SER 38 2.715 -8.150 -19.362 258 H THR 39 H THR 39 1.324 -8.192 -17.718 259 HA THR 39 HA THR 39 1.945 -8.576 -14.797 260 HB THR 39 HB THR 39 1.527 -11.144 -15.863 261 HG1 THR 39 HG1 THR 39 0.786 -10.491 -17.751 262 1HG2 THR 39 1HG2 THR 39 -0.654 -11.101 -14.735 263 2HG2 THR 39 2HG2 THR 39 0.532 -10.258 -13.712 264 3HG2 THR 39 3HG2 THR 39 -0.652 -9.323 -14.664 265 H LYS 40 H LYS 40 3.253 -9.468 -17.976 266 HA LYS 40 HA LYS 40 5.485 -11.112 -17.049 267 1HB LYS 40 1HB LYS 40 4.443 -10.970 -19.398 268 2HB LYS 40 2HB LYS 40 5.408 -9.549 -19.703 269 1HG LYS 40 1HG LYS 40 6.946 -11.055 -20.494 270 2HG LYS 40 2HG LYS 40 7.348 -11.364 -18.826 271 1HD LYS 40 1HD LYS 40 5.458 -13.288 -18.986 272 2HD LYS 40 2HD LYS 40 5.628 -13.021 -20.696 273 1HE LYS 40 1HE LYS 40 7.847 -14.013 -18.850 274 2HE LYS 40 2HE LYS 40 7.038 -14.926 -20.115 275 1HZ LYS 40 1HZ LYS 40 9.139 -12.903 -20.330 276 2HZ LYS 40 2HZ LYS 40 8.028 -12.905 -21.552 277 3HZ LYS 40 3HZ LYS 40 8.900 -14.270 -21.225 278 H GLU 41 H GLU 41 5.027 -7.659 -17.633 279 HA GLU 41 HA GLU 41 7.845 -6.810 -17.475 280 1HB GLU 41 1HB GLU 41 7.155 -4.710 -17.916 281 2HB GLU 41 2HB GLU 41 5.873 -4.734 -16.724 282 1HG GLU 41 1HG GLU 41 5.457 -6.321 -19.300 283 2HG GLU 41 2HG GLU 41 4.268 -5.604 -18.234 284 H LEU 42 H LEU 42 5.149 -6.859 -15.150 285 HA LEU 42 HA LEU 42 6.496 -5.532 -12.911 286 1HB LEU 42 1HB LEU 42 4.325 -7.629 -12.459 287 2HB LEU 42 2HB LEU 42 3.919 -6.155 -13.309 288 HG LEU 42 HG LEU 42 3.712 -6.459 -10.595 289 1HD1 LEU 42 1HD1 LEU 42 4.389 -3.748 -11.897 290 2HD1 LEU 42 2HD1 LEU 42 2.825 -4.559 -12.072 291 3HD1 LEU 42 3HD1 LEU 42 3.373 -4.033 -10.460 292 1HD2 LEU 42 1HD2 LEU 42 5.512 -5.279 -9.384 293 2HD2 LEU 42 2HD2 LEU 42 6.250 -6.616 -10.302 294 3HD2 LEU 42 3HD2 LEU 42 6.391 -4.954 -10.901 295 H GLY 43 H GLY 43 6.248 -8.890 -13.973 296 1HA GLY 43 1HA GLY 43 7.359 -10.931 -13.280 297 2HA GLY 43 2HA GLY 43 7.279 -10.269 -11.642 298 H THR 44 H THR 44 8.909 -8.590 -14.253 299 HA THR 44 HA THR 44 11.592 -9.714 -13.914 300 HB THR 44 HB THR 44 10.967 -6.964 -15.100 301 HG1 THR 44 HG1 THR 44 10.380 -9.486 -15.924 302 1HG2 THR 44 1HG2 THR 44 12.968 -7.383 -16.540 303 2HG2 THR 44 2HG2 THR 44 13.415 -7.321 -14.822 304 3HG2 THR 44 3HG2 THR 44 13.305 -8.893 -15.655 305 H VAL 45 H VAL 45 9.999 -6.799 -12.658 306 HA VAL 45 HA VAL 45 12.366 -5.714 -11.249 307 HB VAL 45 HB VAL 45 9.633 -4.820 -11.742 308 1HG1 VAL 45 1HG1 VAL 45 12.058 -3.171 -10.791 309 2HG1 VAL 45 2HG1 VAL 45 11.830 -3.684 -12.468 310 3HG1 VAL 45 3HG1 VAL 45 10.642 -2.598 -11.712 311 1HG2 VAL 45 1HG2 VAL 45 9.131 -3.533 -9.730 312 2HG2 VAL 45 2HG2 VAL 45 9.363 -5.216 -9.202 313 3HG2 VAL 45 3HG2 VAL 45 10.650 -4.030 -8.939 314 H MET 46 H MET 46 9.642 -7.805 -10.436 315 HA MET 46 HA MET 46 9.988 -7.982 -7.534 316 1HB MET 46 1HB MET 46 8.760 -9.990 -9.507 317 2HB MET 46 2HB MET 46 8.820 -10.266 -7.775 318 1HG MET 46 1HG MET 46 7.074 -8.355 -9.331 319 2HG MET 46 2HG MET 46 7.641 -7.767 -7.759 320 1HE MET 46 1HE MET 46 5.125 -7.677 -6.820 321 2HE MET 46 2HE MET 46 4.765 -9.043 -5.723 322 3HE MET 46 3HE MET 46 6.338 -8.200 -5.609 323 NH1 ARG 47 NH1 ARG 47 14.383 -14.280 -13.808 324 NH2 ARG 47 NH2 ARG 47 16.335 -15.432 -13.638 325 H ARG 47 H ARG 47 11.479 -9.620 -10.276 326 HA ARG 47 HA ARG 47 12.788 -11.855 -8.964 327 1HB ARG 47 1HB ARG 47 12.546 -11.449 -11.499 328 2HB ARG 47 2HB ARG 47 13.913 -10.350 -11.382 329 1HG ARG 47 1HG ARG 47 14.917 -12.638 -10.080 330 2HG ARG 47 2HG ARG 47 13.890 -13.333 -11.334 331 1HD ARG 47 1HD ARG 47 15.132 -11.605 -12.978 332 2HD ARG 47 2HD ARG 47 16.319 -11.499 -11.687 333 HE ARG 47 HE ARG 47 17.163 -13.640 -12.276 334 1HH1 ARG 47 1HH1 ARG 47 13.849 -13.441 -13.557 335 2HH1 ARG 47 2HH1 ARG 47 14.061 -15.064 -14.387 336 1HH2 ARG 47 1HH2 ARG 47 17.288 -15.475 -13.259 337 2HH2 ARG 47 2HH2 ARG 47 15.876 -16.135 -14.228 338 H MET 48 H MET 48 13.672 -8.464 -9.290 339 HA MET 48 HA MET 48 16.481 -8.432 -8.744 340 1HB MET 48 1HB MET 48 15.661 -6.190 -7.292 341 2HB MET 48 2HB MET 48 14.295 -6.430 -8.365 342 1HG MET 48 1HG MET 48 15.451 -5.729 -10.237 343 2HG MET 48 2HG MET 48 16.928 -6.600 -9.792 344 1HE MET 48 1HE MET 48 15.074 -3.190 -9.895 345 2HE MET 48 2HE MET 48 16.546 -2.193 -9.704 346 3HE MET 48 3HE MET 48 16.475 -3.441 -10.982 347 H LEU 49 H LEU 49 13.757 -8.819 -6.530 348 HA LEU 49 HA LEU 49 14.963 -8.688 -3.939 349 1HB LEU 49 1HB LEU 49 13.310 -10.722 -3.404 350 2HB LEU 49 2HB LEU 49 12.720 -10.450 -5.029 351 HG LEU 49 HG LEU 49 11.421 -8.716 -4.372 352 1HD1 LEU 49 1HD1 LEU 49 10.913 -8.468 -1.940 353 2HD1 LEU 49 2HD1 LEU 49 11.070 -10.180 -2.375 354 3HD1 LEU 49 3HD1 LEU 49 12.395 -9.360 -1.511 355 1HD2 LEU 49 1HD2 LEU 49 13.810 -7.490 -2.834 356 2HD2 LEU 49 2HD2 LEU 49 13.320 -7.093 -4.500 357 3HD2 LEU 49 3HD2 LEU 49 12.253 -6.683 -3.149 358 H GLY 50 H GLY 50 14.395 -11.789 -5.624 359 1HA GLY 50 1HA GLY 50 16.840 -13.009 -6.103 360 2HA GLY 50 2HA GLY 50 16.871 -12.990 -4.334 361 H GLN 51 H GLN 51 14.612 -13.828 -6.968 362 HA GLN 51 HA GLN 51 13.919 -16.497 -5.675 363 1HB GLN 51 1HB GLN 51 12.077 -14.112 -5.742 364 2HB GLN 51 2HB GLN 51 11.370 -15.637 -6.242 365 1HG GLN 51 1HG GLN 51 12.523 -16.544 -3.956 366 2HG GLN 51 2HG GLN 51 12.471 -14.853 -3.512 367 1HE2 GLN 51 1HE2 GLN 51 9.202 -15.719 -2.235 368 2HE2 GLN 51 2HE2 GLN 51 10.933 -15.231 -1.871 369 H ASN 52 H ASN 52 11.824 -17.183 -7.248 370 HA ASN 52 HA ASN 52 12.359 -16.505 -10.121 371 1HB ASN 52 1HB ASN 52 13.905 -18.495 -9.290 372 2HB ASN 52 2HB ASN 52 12.470 -19.488 -9.432 373 1HD2 ASN 52 1HD2 ASN 52 14.312 -19.673 -12.707 374 2HD2 ASN 52 2HD2 ASN 52 14.596 -20.125 -10.951 375 HA PRO 53 HA PRO 53 7.829 -17.366 -9.048 376 1HB PRO 53 1HB PRO 53 6.640 -15.304 -10.442 377 2HB PRO 53 2HB PRO 53 7.481 -15.101 -8.898 378 1HG PRO 53 1HG PRO 53 8.559 -14.532 -11.701 379 2HG PRO 53 2HG PRO 53 8.682 -13.508 -10.252 380 1HD PRO 53 1HD PRO 53 10.534 -14.780 -9.406 381 2HD PRO 53 2HD PRO 53 10.723 -15.249 -11.122 382 H THR 54 H THR 54 5.807 -17.438 -10.648 383 HA THR 54 HA THR 54 6.577 -18.748 -13.303 384 HB THR 54 HB THR 54 6.079 -20.474 -11.523 385 HG1 THR 54 HG1 THR 54 5.907 -21.138 -13.531 386 1HG2 THR 54 1HG2 THR 54 3.735 -21.016 -10.950 387 2HG2 THR 54 2HG2 THR 54 4.143 -19.398 -10.336 388 3HG2 THR 54 3HG2 THR 54 3.145 -19.569 -11.803 389 H LYS 55 H LYS 55 4.524 -19.047 -14.657 390 HA LYS 55 HA LYS 55 3.361 -16.386 -15.176 391 1HB LYS 55 1HB LYS 55 1.925 -17.756 -16.913 392 2HB LYS 55 2HB LYS 55 2.870 -19.149 -16.431 393 1HG LYS 55 1HG LYS 55 3.501 -17.209 -18.406 394 2HG LYS 55 2HG LYS 55 4.645 -16.879 -17.117 395 1HD LYS 55 1HD LYS 55 4.423 -19.308 -18.930 396 2HD LYS 55 2HD LYS 55 5.847 -18.458 -18.352 397 1HE LYS 55 1HE LYS 55 5.054 -19.507 -15.961 398 2HE LYS 55 2HE LYS 55 4.323 -20.717 -17.012 399 1HZ LYS 55 1HZ LYS 55 7.132 -20.186 -16.480 400 2HZ LYS 55 2HZ LYS 55 6.802 -20.517 -18.064 401 3HZ LYS 55 3HZ LYS 55 6.389 -21.603 -16.890 402 H GLU 56 H GLU 56 2.266 -19.377 -13.670 403 HA GLU 56 HA GLU 56 -0.602 -18.745 -13.497 404 1HB GLU 56 1HB GLU 56 -0.574 -20.611 -11.680 405 2HB GLU 56 2HB GLU 56 1.129 -20.807 -12.048 406 1HG GLU 56 1HG GLU 56 0.138 -20.995 -14.611 407 2HG GLU 56 2HG GLU 56 -1.302 -21.490 -13.739 408 H GLU 57 H GLU 57 2.178 -18.339 -11.333 409 HA GLU 57 HA GLU 57 0.625 -17.384 -8.981 410 1HB GLU 57 1HB GLU 57 3.585 -17.623 -9.580 411 2HB GLU 57 2HB GLU 57 2.608 -18.483 -8.410 412 1HG GLU 57 1HG GLU 57 4.284 -16.203 -7.947 413 2HG GLU 57 2HG GLU 57 2.651 -15.569 -7.783 414 H LEU 58 H LEU 58 2.325 -15.928 -11.699 415 HA LEU 58 HA LEU 58 2.493 -13.176 -10.656 416 1HB LEU 58 1HB LEU 58 3.439 -14.632 -12.952 417 2HB LEU 58 2HB LEU 58 2.518 -13.281 -13.580 418 HG LEU 58 HG LEU 58 4.671 -12.862 -11.425 419 1HD1 LEU 58 1HD1 LEU 58 6.312 -12.305 -13.261 420 2HD1 LEU 58 2HD1 LEU 58 5.852 -14.013 -13.308 421 3HD1 LEU 58 3HD1 LEU 58 5.150 -12.877 -14.485 422 1HD2 LEU 58 1HD2 LEU 58 3.500 -10.959 -13.557 423 2HD2 LEU 58 2HD2 LEU 58 3.097 -10.963 -11.822 424 3HD2 LEU 58 3HD2 LEU 58 4.738 -10.542 -12.345 425 H ASP 59 H ASP 59 0.261 -14.940 -12.779 426 HA ASP 59 HA ASP 59 -1.435 -12.725 -13.622 427 1HB ASP 59 1HB ASP 59 -1.464 -14.868 -14.838 428 2HB ASP 59 2HB ASP 59 -2.109 -15.712 -13.449 429 H ALA 60 H ALA 60 -1.431 -14.802 -10.780 430 HA ALA 60 HA ALA 60 -4.047 -13.897 -9.681 431 1HB ALA 60 1HB ALA 60 -3.410 -15.221 -7.671 432 2HB ALA 60 2HB ALA 60 -3.175 -16.153 -9.162 433 3HB ALA 60 3HB ALA 60 -1.768 -15.464 -8.312 434 H ILE 61 H ILE 61 -0.658 -13.016 -9.329 435 HA ILE 61 HA ILE 61 -0.790 -11.236 -6.998 436 HB ILE 61 HB ILE 61 1.175 -11.700 -9.202 437 1HG1 ILE 61 1HG1 ILE 61 1.015 -12.187 -6.368 438 2HG1 ILE 61 2HG1 ILE 61 2.302 -12.628 -7.470 439 1HG2 ILE 61 1HG2 ILE 61 2.532 -9.640 -8.732 440 2HG2 ILE 61 2HG2 ILE 61 0.968 -9.208 -9.419 441 3HG2 ILE 61 3HG2 ILE 61 1.245 -9.012 -7.672 442 1HD1 ILE 61 1HD1 ILE 61 2.221 -9.998 -5.877 443 2HD1 ILE 61 2HD1 ILE 61 3.282 -11.399 -5.613 444 3HD1 ILE 61 3HD1 ILE 61 3.464 -10.420 -7.087 445 H ILE 62 H ILE 62 -1.460 -10.870 -10.450 446 HA ILE 62 HA ILE 62 -1.907 -7.914 -10.368 447 HB ILE 62 HB ILE 62 -1.772 -9.981 -12.471 448 1HG1 ILE 62 1HG1 ILE 62 -0.011 -8.382 -12.515 449 2HG1 ILE 62 2HG1 ILE 62 -1.064 -7.029 -12.158 450 1HG2 ILE 62 1HG2 ILE 62 -3.257 -8.856 -14.154 451 2HG2 ILE 62 2HG2 ILE 62 -4.212 -9.460 -12.802 452 3HG2 ILE 62 3HG2 ILE 62 -3.842 -7.724 -12.911 453 1HD1 ILE 62 1HD1 ILE 62 -1.993 -6.988 -14.457 454 2HD1 ILE 62 2HD1 ILE 62 -0.218 -6.932 -14.497 455 3HD1 ILE 62 3HD1 ILE 62 -1.061 -8.450 -14.884 456 H GLU 63 H GLU 63 -3.805 -10.893 -10.269 457 HA GLU 63 HA GLU 63 -6.495 -10.010 -10.491 458 1HB GLU 63 1HB GLU 63 -5.677 -12.401 -10.119 459 2HB GLU 63 2HB GLU 63 -5.594 -12.062 -8.401 460 1HG GLU 63 1HG GLU 63 -8.205 -11.297 -8.843 461 2HG GLU 63 2HG GLU 63 -8.028 -12.418 -10.182 462 H GLU 64 H GLU 64 -4.560 -10.150 -7.482 463 HA GLU 64 HA GLU 64 -6.439 -8.941 -5.643 464 1HB GLU 64 1HB GLU 64 -3.983 -8.098 -4.641 465 2HB GLU 64 2HB GLU 64 -3.496 -9.452 -5.642 466 1HG GLU 64 1HG GLU 64 -5.806 -9.797 -3.651 467 2HG GLU 64 2HG GLU 64 -4.777 -11.036 -4.349 468 H VAL 65 H VAL 65 -4.074 -7.530 -7.871 469 HA VAL 65 HA VAL 65 -5.034 -4.703 -7.237 470 HB VAL 65 HB VAL 65 -3.064 -3.840 -8.377 471 1HG1 VAL 65 1HG1 VAL 65 -1.292 -4.595 -6.781 472 2HG1 VAL 65 2HG1 VAL 65 -2.841 -4.377 -5.946 473 3HG1 VAL 65 3HG1 VAL 65 -2.264 -6.017 -6.328 474 1HG2 VAL 65 1HG2 VAL 65 -2.176 -6.753 -8.942 475 2HG2 VAL 65 2HG2 VAL 65 -2.654 -5.544 -10.158 476 3HG2 VAL 65 3HG2 VAL 65 -1.188 -5.294 -9.199 477 H ASP 66 H ASP 66 -6.988 -5.927 -8.378 478 HA ASP 66 HA ASP 66 -7.270 -4.662 -11.089 479 1HB ASP 66 1HB ASP 66 -8.227 -7.281 -11.654 480 2HB ASP 66 2HB ASP 66 -6.682 -7.546 -10.878 481 H GLU 67 H GLU 67 -8.668 -3.530 -9.595 482 HA GLU 67 HA GLU 67 -11.167 -4.779 -8.521 483 1HB GLU 67 1HB GLU 67 -9.824 -2.412 -7.970 484 2HB GLU 67 2HB GLU 67 -11.172 -1.816 -8.919 485 1HG GLU 67 1HG GLU 67 -11.303 -2.121 -6.228 486 2HG GLU 67 2HG GLU 67 -11.765 -3.764 -6.639 487 H ASP 68 H ASP 68 -10.094 -3.110 -11.429 488 HA ASP 68 HA ASP 68 -12.834 -2.854 -12.636 489 1HB ASP 68 1HB ASP 68 -11.822 -1.155 -13.693 490 2HB ASP 68 2HB ASP 68 -11.121 -2.353 -14.757 491 H GLY 69 H GLY 69 -10.034 -4.983 -12.807 492 1HA GLY 69 1HA GLY 69 -9.960 -7.344 -13.476 493 2HA GLY 69 2HA GLY 69 -11.671 -7.235 -13.910 494 H SER 70 H SER 70 -8.849 -5.348 -14.994 495 HA SER 70 HA SER 70 -9.596 -5.666 -17.913 496 1HB SER 70 1HB SER 70 -8.930 -3.478 -17.626 497 2HB SER 70 2HB SER 70 -7.395 -4.188 -18.134 498 HG SER 70 HG SER 70 -7.784 -2.845 -16.023 499 H GLY 71 H GLY 71 -6.434 -5.829 -16.250 500 1HA GLY 71 1HA GLY 71 -5.598 -8.223 -17.971 501 2HA GLY 71 2HA GLY 71 -5.510 -8.391 -16.212 502 H THR 72 H THR 72 -4.892 -5.395 -17.954 503 HA THR 72 HA THR 72 -1.935 -5.512 -17.171 504 HB THR 72 HB THR 72 -1.692 -3.591 -18.928 505 HG1 THR 72 HG1 THR 72 -3.159 -3.913 -20.661 506 1HG2 THR 72 1HG2 THR 72 -1.255 -5.132 -20.798 507 2HG2 THR 72 2HG2 THR 72 -0.644 -5.863 -19.298 508 3HG2 THR 72 3HG2 THR 72 -2.168 -6.444 -20.020 509 H ILE 73 H ILE 73 -1.033 -3.659 -16.242 510 HA ILE 73 HA ILE 73 -2.984 -1.871 -14.730 511 HB ILE 73 HB ILE 73 -0.012 -2.381 -14.195 512 1HG1 ILE 73 1HG1 ILE 73 -1.928 -4.255 -13.727 513 2HG1 ILE 73 2HG1 ILE 73 -2.234 -3.278 -12.306 514 1HG2 ILE 73 1HG2 ILE 73 -0.303 -1.115 -12.069 515 2HG2 ILE 73 2HG2 ILE 73 -0.740 -0.081 -13.436 516 3HG2 ILE 73 3HG2 ILE 73 -2.017 -0.807 -12.430 517 1HD1 ILE 73 1HD1 ILE 73 0.080 -3.568 -11.464 518 2HD1 ILE 73 2HD1 ILE 73 -0.674 -5.141 -11.795 519 3HD1 ILE 73 3HD1 ILE 73 0.525 -4.481 -12.932 520 H ASP 74 H ASP 74 -2.458 0.402 -14.558 521 HA ASP 74 HA ASP 74 -0.785 1.611 -16.798 522 1HB ASP 74 1HB ASP 74 -2.467 2.912 -17.768 523 2HB ASP 74 2HB ASP 74 -3.517 2.841 -16.372 524 H PHE 75 H PHE 75 -0.808 4.093 -16.487 525 HA PHE 75 HA PHE 75 0.329 4.730 -13.856 526 1HB PHE 75 1HB PHE 75 0.960 5.848 -16.070 527 2HB PHE 75 2HB PHE 75 -0.549 6.719 -16.035 528 HD1 PHE 75 HD1 PHE 75 0.661 6.309 -12.651 529 HD2 PHE 75 HD2 PHE 75 1.221 8.693 -16.190 530 HE1 PHE 75 HE1 PHE 75 1.648 8.109 -11.295 531 HE2 PHE 75 HE2 PHE 75 2.214 10.479 -14.815 532 HZ PHE 75 HZ PHE 75 2.408 10.201 -12.369 533 H GLU 76 H GLU 76 -2.818 5.171 -15.366 534 HA GLU 76 HA GLU 76 -4.012 7.096 -13.527 535 1HB GLU 76 1HB GLU 76 -5.267 7.013 -15.419 536 2HB GLU 76 2HB GLU 76 -6.250 6.026 -14.357 537 1HG GLU 76 1HG GLU 76 -4.547 5.123 -16.731 538 2HG GLU 76 2HG GLU 76 -4.946 3.974 -15.471 539 H GLU 77 H GLU 77 -4.372 3.544 -13.704 540 HA GLU 77 HA GLU 77 -5.850 3.303 -11.137 541 1HB GLU 77 1HB GLU 77 -6.401 1.287 -11.875 542 2HB GLU 77 2HB GLU 77 -5.554 1.662 -13.358 543 1HG GLU 77 1HG GLU 77 -4.295 0.191 -10.953 544 2HG GLU 77 2HG GLU 77 -3.455 0.556 -12.456 545 H PHE 78 H PHE 78 -2.496 3.339 -12.041 546 HA PHE 78 HA PHE 78 -1.341 1.851 -9.784 547 1HB PHE 78 1HB PHE 78 -0.068 4.060 -11.519 548 2HB PHE 78 2HB PHE 78 -0.064 2.356 -11.894 549 HD1 PHE 78 HD1 PHE 78 0.600 1.208 -9.104 550 HD2 PHE 78 HD2 PHE 78 2.232 4.578 -11.224 551 HE1 PHE 78 HE1 PHE 78 2.738 0.936 -7.914 552 HE2 PHE 78 HE2 PHE 78 4.363 4.288 -10.027 553 HZ PHE 78 HZ PHE 78 4.625 2.463 -8.383 554 H LEU 79 H LEU 79 -2.202 5.240 -10.342 555 HA LEU 79 HA LEU 79 -1.063 6.327 -7.833 556 1HB LEU 79 1HB LEU 79 -2.526 8.365 -8.365 557 2HB LEU 79 2HB LEU 79 -3.157 7.506 -9.753 558 HG LEU 79 HG LEU 79 -0.555 7.289 -10.441 559 1HD1 LEU 79 1HD1 LEU 79 -0.805 9.360 -11.811 560 2HD1 LEU 79 2HD1 LEU 79 -2.316 8.431 -11.802 561 3HD1 LEU 79 3HD1 LEU 79 -2.172 9.897 -10.801 562 1HD2 LEU 79 1HD2 LEU 79 -0.529 9.825 -8.670 563 2HD2 LEU 79 2HD2 LEU 79 0.416 8.342 -8.392 564 3HD2 LEU 79 3HD2 LEU 79 0.752 9.344 -9.811 565 H VAL 80 H VAL 80 -4.164 4.989 -8.820 566 HA VAL 80 HA VAL 80 -5.693 5.742 -6.400 567 HB VAL 80 HB VAL 80 -6.529 3.376 -8.095 568 1HG1 VAL 80 1HG1 VAL 80 -6.929 6.268 -9.080 569 2HG1 VAL 80 2HG1 VAL 80 -5.674 5.197 -9.717 570 3HG1 VAL 80 3HG1 VAL 80 -7.387 4.757 -9.907 571 1HG2 VAL 80 1HG2 VAL 80 -8.808 4.213 -7.742 572 2HG2 VAL 80 2HG2 VAL 80 -8.006 4.204 -6.154 573 3HG2 VAL 80 3HG2 VAL 80 -8.213 5.730 -7.025 574 H MET 81 H MET 81 -3.642 3.060 -7.378 575 HA MET 81 HA MET 81 -4.329 1.061 -5.331 576 1HB MET 81 1HB MET 81 -1.573 1.407 -6.646 577 2HB MET 81 2HB MET 81 -2.937 0.650 -7.447 578 1HG MET 81 1HG MET 81 -1.532 -0.374 -4.903 579 2HG MET 81 2HG MET 81 -3.041 -1.067 -5.520 580 1HE MET 81 1HE MET 81 -1.017 -3.155 -5.230 581 2HE MET 81 2HE MET 81 0.232 -3.390 -6.489 582 3HE MET 81 3HE MET 81 0.412 -2.075 -5.292 583 H MET 82 H MET 82 -1.752 3.534 -5.512 584 HA MET 82 HA MET 82 -0.718 2.992 -2.774 585 1HB MET 82 1HB MET 82 0.552 5.281 -3.327 586 2HB MET 82 2HB MET 82 -0.033 5.004 -4.956 587 1HG MET 82 1HG MET 82 1.031 2.538 -4.598 588 2HG MET 82 2HG MET 82 2.018 3.917 -5.098 589 1HE MET 82 1HE MET 82 3.044 1.224 -1.787 590 2HE MET 82 2HE MET 82 3.550 1.327 -3.499 591 3HE MET 82 3HE MET 82 1.838 1.008 -3.095 592 H VAL 83 H VAL 83 -3.027 5.183 -4.241 593 HA VAL 83 HA VAL 83 -3.082 7.262 -2.158 594 HB VAL 83 HB VAL 83 -4.765 6.644 -4.569 595 1HG1 VAL 83 1HG1 VAL 83 -6.506 8.342 -3.988 596 2HG1 VAL 83 2HG1 VAL 83 -6.573 6.973 -2.869 597 3HG1 VAL 83 3HG1 VAL 83 -5.832 8.504 -2.345 598 1HG2 VAL 83 1HG2 VAL 83 -3.567 9.291 -3.510 599 2HG2 VAL 83 2HG2 VAL 83 -2.855 8.261 -4.774 600 3HG2 VAL 83 3HG2 VAL 83 -4.401 9.070 -5.070 601 NH1 ARG 84 NH1 ARG 84 -9.882 -0.455 -2.523 602 NH2 ARG 84 NH2 ARG 84 -11.846 0.158 -3.487 603 H ARG 84 H ARG 84 -4.819 4.241 -2.732 604 HA ARG 84 HA ARG 84 -6.950 4.591 -0.673 605 1HB ARG 84 1HB ARG 84 -6.258 2.593 -2.714 606 2HB ARG 84 2HB ARG 84 -6.541 1.793 -1.175 607 1HG ARG 84 1HG ARG 84 -8.584 3.889 -1.922 608 2HG ARG 84 2HG ARG 84 -8.804 2.355 -1.075 609 1HD ARG 84 1HD ARG 84 -8.146 1.260 -3.443 610 2HD ARG 84 2HD ARG 84 -8.593 2.836 -4.100 611 HE ARG 84 HE ARG 84 -10.934 2.467 -3.156 612 1HH1 ARG 84 1HH1 ARG 84 -8.938 -0.181 -2.229 613 2HH1 ARG 84 2HH1 ARG 84 -10.308 -1.384 -2.436 614 1HH2 ARG 84 1HH2 ARG 84 -12.424 0.913 -3.872 615 2HH2 ARG 84 2HH2 ARG 84 -12.113 -0.827 -3.380 616 H GLN 85 H GLN 85 -3.757 3.060 -0.845 617 HA GLN 85 HA GLN 85 -3.875 1.690 1.792 618 1HB GLN 85 1HB GLN 85 -1.606 2.233 -0.188 619 2HB GLN 85 2HB GLN 85 -1.283 1.562 1.400 620 1HG GLN 85 1HG GLN 85 -2.236 0.207 -1.002 621 2HG GLN 85 2HG GLN 85 -3.450 -0.002 0.241 622 1HE2 GLN 85 1HE2 GLN 85 -0.655 -1.548 2.416 623 2HE2 GLN 85 2HE2 GLN 85 -1.698 -0.043 2.540 624 H MET 86 H MET 86 -2.800 4.810 0.572 625 HA MET 86 HA MET 86 -1.161 5.716 2.825 626 1HB MET 86 1HB MET 86 -0.761 7.502 1.526 627 2HB MET 86 2HB MET 86 -1.735 6.714 0.300 628 1HG MET 86 1HG MET 86 -3.106 8.535 2.356 629 2HG MET 86 2HG MET 86 -3.731 7.954 0.807 630 1HE MET 86 1HE MET 86 -4.129 9.768 -0.898 631 2HE MET 86 2HE MET 86 -2.747 10.566 -1.705 632 3HE MET 86 3HE MET 86 -2.832 8.781 -1.642 633 H LYS 87 H LYS 87 -4.603 6.002 2.032 634 HA LYS 87 HA LYS 87 -5.568 7.888 3.951 635 1HB LYS 87 1HB LYS 87 -7.667 6.135 4.059 636 2HB LYS 87 2HB LYS 87 -6.847 5.469 2.655 637 1HG LYS 87 1HG LYS 87 -6.922 7.676 1.490 638 2HG LYS 87 2HG LYS 87 -8.521 7.053 1.861 639 1HD LYS 87 1HD LYS 87 -7.835 8.686 4.118 640 2HD LYS 87 2HD LYS 87 -7.175 9.539 2.727 641 1HE LYS 87 1HE LYS 87 -10.131 8.654 2.980 642 2HE LYS 87 2HE LYS 87 -9.533 10.294 3.267 643 1HZ LYS 87 1HZ LYS 87 -9.049 10.578 1.018 644 2HZ LYS 87 2HZ LYS 87 -10.454 9.711 0.963 645 3HZ LYS 87 3HZ LYS 87 -9.010 8.962 0.675 646 H GLU 88 H GLU 88 -4.813 7.923 5.954 647 HA GLU 88 HA GLU 88 -4.290 5.490 7.623 648 1HB GLU 88 1HB GLU 88 -4.311 8.302 8.772 649 2HB GLU 88 2HB GLU 88 -3.059 7.861 7.628 650 1HG GLU 88 1HG GLU 88 -2.173 6.125 9.107 651 2HG GLU 88 2HG GLU 88 -3.600 6.150 10.128 652 H ASP 89 H ASP 89 -6.732 8.008 7.271 653 HA ASP 89 HA ASP 89 -8.300 7.356 9.712 654 1HB ASP 89 1HB ASP 89 -9.697 8.798 7.466 655 2HB ASP 89 2HB ASP 89 -8.255 9.570 8.083 656 H ALA 90 H ALA 90 -10.494 6.550 9.651 657 HA ALA 90 HA ALA 90 -11.414 4.821 7.348 658 1HB ALA 90 1HB ALA 90 -11.437 2.696 8.682 659 2HB ALA 90 2HB ALA 90 -9.777 3.291 8.476 660 3HB ALA 90 3HB ALA 90 -10.607 3.503 10.037 Start of MODEL 23 Raw file had 660 H/Q atoms Start of MODEL 23 1 1H ALA 1 1H ALA 1 -14.891 14.518 -13.465 2 2H ALA 1 2H ALA 1 -16.546 14.746 -13.267 3 3H ALA 1 3H ALA 1 -15.636 14.073 -12.024 4 HA ALA 1 HA ALA 1 -16.422 12.908 -14.610 5 1HB ALA 1 1HB ALA 1 -14.747 11.219 -14.498 6 2HB ALA 1 2HB ALA 1 -14.370 11.532 -12.793 7 3HB ALA 1 3HB ALA 1 -13.837 12.680 -14.047 8 H SER 2 H SER 2 -17.897 11.314 -14.333 9 HA SER 2 HA SER 2 -18.551 10.260 -11.538 10 1HB SER 2 1HB SER 2 -20.900 10.849 -13.350 11 2HB SER 2 2HB SER 2 -20.811 10.783 -11.588 12 HG SER 2 HG SER 2 -20.683 12.835 -11.744 13 H MET 3 H MET 3 -17.035 9.157 -13.731 14 HA MET 3 HA MET 3 -18.764 6.744 -14.507 15 1HB MET 3 1HB MET 3 -16.374 7.285 -16.230 16 2HB MET 3 2HB MET 3 -17.963 6.679 -16.657 17 1HG MET 3 1HG MET 3 -18.560 9.342 -15.979 18 2HG MET 3 2HG MET 3 -16.929 9.490 -16.645 19 1HE MET 3 1HE MET 3 -19.694 10.769 -18.626 20 2HE MET 3 2HE MET 3 -20.257 9.888 -17.175 21 3HE MET 3 3HE MET 3 -20.766 9.343 -18.800 22 H THR 4 H THR 4 -15.332 7.755 -14.281 23 HA THR 4 HA THR 4 -14.650 5.087 -12.990 24 HB THR 4 HB THR 4 -12.214 5.801 -13.689 25 HG1 THR 4 HG1 THR 4 -13.107 6.845 -15.939 26 1HG2 THR 4 1HG2 THR 4 -14.233 4.764 -15.773 27 2HG2 THR 4 2HG2 THR 4 -13.233 3.769 -14.691 28 3HG2 THR 4 3HG2 THR 4 -12.468 4.741 -15.975 29 H ASP 5 H ASP 5 -15.020 5.498 -10.876 30 HA ASP 5 HA ASP 5 -14.311 8.027 -9.487 31 1HB ASP 5 1HB ASP 5 -14.813 6.361 -7.380 32 2HB ASP 5 2HB ASP 5 -15.596 5.430 -8.637 33 H GLN 6 H GLN 6 -12.811 4.912 -10.008 34 HA GLN 6 HA GLN 6 -10.824 4.612 -8.020 35 1HB GLN 6 1HB GLN 6 -9.327 3.605 -9.810 36 2HB GLN 6 2HB GLN 6 -10.448 4.175 -11.032 37 1HG GLN 6 1HG GLN 6 -11.176 2.183 -8.799 38 2HG GLN 6 2HG GLN 6 -12.285 2.750 -10.028 39 1HE2 GLN 6 1HE2 GLN 6 -9.166 0.412 -11.514 40 2HE2 GLN 6 2HE2 GLN 6 -8.845 1.662 -10.209 41 H GLN 7 H GLN 7 -9.755 5.952 -11.123 42 HA GLN 7 HA GLN 7 -7.439 7.368 -9.965 43 1HB GLN 7 1HB GLN 7 -7.233 8.444 -12.283 44 2HB GLN 7 2HB GLN 7 -7.171 6.688 -12.221 45 1HG GLN 7 1HG GLN 7 -8.658 6.707 -13.925 46 2HG GLN 7 2HG GLN 7 -9.885 7.022 -12.708 47 1HE2 GLN 7 1HE2 GLN 7 -10.571 9.838 -14.922 48 2HE2 GLN 7 2HE2 GLN 7 -11.038 8.124 -14.464 49 H ALA 8 H ALA 8 -10.746 8.278 -10.749 50 HA ALA 8 HA ALA 8 -10.750 11.107 -10.866 51 1HB ALA 8 1HB ALA 8 -13.051 11.045 -9.918 52 2HB ALA 8 2HB ALA 8 -12.808 9.751 -11.107 53 3HB ALA 8 3HB ALA 8 -12.815 9.370 -9.366 54 H GLU 9 H GLU 9 -11.699 9.575 -7.806 55 HA GLU 9 HA GLU 9 -11.269 11.801 -6.069 56 1HB GLU 9 1HB GLU 9 -11.231 8.799 -5.431 57 2HB GLU 9 2HB GLU 9 -10.933 10.001 -4.184 58 1HG GLU 9 1HG GLU 9 -13.251 11.090 -5.086 59 2HG GLU 9 2HG GLU 9 -13.535 9.456 -5.676 60 H ALA 10 H ALA 10 -9.054 8.999 -6.385 61 HA ALA 10 HA ALA 10 -6.921 9.821 -4.689 62 1HB ALA 10 1HB ALA 10 -5.443 8.322 -6.018 63 2HB ALA 10 2HB ALA 10 -7.024 7.573 -5.726 64 3HB ALA 10 3HB ALA 10 -6.643 8.249 -7.331 65 NH1 ARG 11 NH1 ARG 11 -9.117 15.850 -13.733 66 NH2 ARG 11 NH2 ARG 11 -8.815 17.692 -12.437 67 H ARG 11 H ARG 11 -7.744 10.943 -7.904 68 HA ARG 11 HA ARG 11 -5.203 12.208 -8.715 69 1HB ARG 11 1HB ARG 11 -6.637 11.877 -10.541 70 2HB ARG 11 2HB ARG 11 -8.076 12.346 -9.649 71 1HG ARG 11 1HG ARG 11 -7.105 14.793 -9.644 72 2HG ARG 11 2HG ARG 11 -5.987 14.221 -10.885 73 1HD ARG 11 1HD ARG 11 -7.624 14.063 -12.518 74 2HD ARG 11 2HD ARG 11 -8.856 13.454 -11.411 75 HE ARG 11 HE ARG 11 -8.987 15.985 -10.578 76 1HH1 ARG 11 1HH1 ARG 11 -9.144 14.826 -13.790 77 2HH1 ARG 11 2HH1 ARG 11 -9.265 16.513 -14.501 78 1HH2 ARG 11 1HH2 ARG 11 -8.609 18.073 -11.507 79 2HH2 ARG 11 2HH2 ARG 11 -8.985 18.226 -13.297 80 H ALA 12 H ALA 12 -8.244 13.575 -7.417 81 HA ALA 12 HA ALA 12 -7.364 16.349 -7.192 82 1HB ALA 12 1HB ALA 12 -9.335 16.696 -5.718 83 2HB ALA 12 2HB ALA 12 -9.762 15.736 -7.149 84 3HB ALA 12 3HB ALA 12 -9.572 14.938 -5.567 85 H PHE 13 H PHE 13 -7.075 13.564 -5.052 86 HA PHE 13 HA PHE 13 -6.273 14.935 -2.591 87 1HB PHE 13 1HB PHE 13 -7.153 12.535 -2.855 88 2HB PHE 13 2HB PHE 13 -5.563 12.053 -3.388 89 HD1 PHE 13 HD1 PHE 13 -7.485 13.486 -0.484 90 HD2 PHE 13 HD2 PHE 13 -3.758 11.732 -1.733 91 HE1 PHE 13 HE1 PHE 13 -6.833 13.167 1.868 92 HE2 PHE 13 HE2 PHE 13 -3.125 11.422 0.624 93 HZ PHE 13 HZ PHE 13 -4.655 12.139 2.426 94 H LEU 14 H LEU 14 -4.481 13.459 -5.287 95 HA LEU 14 HA LEU 14 -1.772 14.253 -4.188 96 1HB LEU 14 1HB LEU 14 -0.805 13.023 -6.064 97 2HB LEU 14 2HB LEU 14 -2.342 12.922 -6.894 98 HG LEU 14 HG LEU 14 -3.076 11.573 -4.640 99 1HD1 LEU 14 1HD1 LEU 14 -2.613 9.456 -5.879 100 2HD1 LEU 14 2HD1 LEU 14 -3.241 10.699 -6.976 101 3HD1 LEU 14 3HD1 LEU 14 -1.503 10.310 -6.980 102 1HD2 LEU 14 1HD2 LEU 14 -0.039 11.011 -4.829 103 2HD2 LEU 14 2HD2 LEU 14 -0.881 11.775 -3.458 104 3HD2 LEU 14 3HD2 LEU 14 -1.209 10.082 -3.858 105 H SER 15 H SER 15 -0.276 15.400 -5.619 106 HA SER 15 HA SER 15 -1.659 17.710 -7.095 107 1HB SER 15 1HB SER 15 -0.203 19.279 -6.112 108 2HB SER 15 2HB SER 15 0.998 18.070 -5.652 109 HG SER 15 HG SER 15 -0.112 18.588 -3.860 110 H GLU 16 H GLU 16 0.641 18.935 -8.024 111 HA GLU 16 HA GLU 16 1.391 17.192 -10.354 112 1HB GLU 16 1HB GLU 16 0.768 19.441 -10.901 113 2HB GLU 16 2HB GLU 16 1.862 20.145 -9.727 114 1HG GLU 16 1HG GLU 16 3.827 19.179 -11.148 115 2HG GLU 16 2HG GLU 16 2.635 18.736 -12.358 116 H GLU 17 H GLU 17 2.920 18.783 -7.589 117 HA GLU 17 HA GLU 17 5.653 17.631 -8.155 118 1HB GLU 17 1HB GLU 17 5.027 20.001 -7.104 119 2HB GLU 17 2HB GLU 17 4.982 19.120 -5.588 120 1HG GLU 17 1HG GLU 17 7.367 19.682 -7.414 121 2HG GLU 17 2HG GLU 17 7.426 18.249 -6.402 122 H MET 18 H MET 18 3.298 15.875 -7.558 123 HA MET 18 HA MET 18 4.586 14.233 -5.311 124 1HB MET 18 1HB MET 18 2.012 13.416 -5.013 125 2HB MET 18 2HB MET 18 1.680 15.041 -5.583 126 1HG MET 18 1HG MET 18 2.729 16.084 -3.679 127 2HG MET 18 2HG MET 18 3.614 14.614 -3.239 128 1HE MET 18 1HE MET 18 2.241 15.878 -0.866 129 2HE MET 18 2HE MET 18 1.268 14.544 -0.178 130 3HE MET 18 3HE MET 18 2.912 14.218 -0.803 131 H ILE 19 H ILE 19 2.405 14.299 -8.129 132 HA ILE 19 HA ILE 19 2.331 11.406 -8.622 133 HB ILE 19 HB ILE 19 1.445 13.836 -10.141 134 1HG1 ILE 19 1HG1 ILE 19 0.199 11.220 -9.161 135 2HG1 ILE 19 2HG1 ILE 19 -0.566 12.062 -10.492 136 1HG2 ILE 19 1HG2 ILE 19 0.968 12.584 -12.259 137 2HG2 ILE 19 2HG2 ILE 19 2.705 12.641 -11.966 138 3HG2 ILE 19 3HG2 ILE 19 1.805 11.146 -11.625 139 1HD1 ILE 19 1HD1 ILE 19 -0.939 14.108 -9.142 140 2HD1 ILE 19 2HD1 ILE 19 -1.595 12.682 -8.311 141 3HD1 ILE 19 3HD1 ILE 19 -0.056 13.390 -7.766 142 H ALA 20 H ALA 20 4.434 14.057 -9.640 143 HA ALA 20 HA ALA 20 6.047 12.783 -11.667 144 1HB ALA 20 1HB ALA 20 7.774 14.502 -11.141 145 2HB ALA 20 2HB ALA 20 6.151 15.214 -11.218 146 3HB ALA 20 3HB ALA 20 6.927 14.936 -9.638 147 H GLU 21 H GLU 21 6.210 12.643 -8.138 148 HA GLU 21 HA GLU 21 8.888 11.531 -7.794 149 1HB GLU 21 1HB GLU 21 7.760 10.608 -5.550 150 2HB GLU 21 2HB GLU 21 6.424 11.640 -6.021 151 1HG GLU 21 1HG GLU 21 9.281 12.768 -5.874 152 2HG GLU 21 2HG GLU 21 7.767 13.656 -5.849 153 H PHE 22 H PHE 22 5.723 10.115 -8.425 154 HA PHE 22 HA PHE 22 6.601 7.261 -8.140 155 1HB PHE 22 1HB PHE 22 3.965 8.316 -9.334 156 2HB PHE 22 2HB PHE 22 4.317 6.670 -8.880 157 HD1 PHE 22 HD1 PHE 22 3.977 10.116 -7.365 158 HD2 PHE 22 HD2 PHE 22 4.001 5.874 -6.631 159 HE1 PHE 22 HE1 PHE 22 3.127 10.494 -5.088 160 HE2 PHE 22 HE2 PHE 22 3.186 6.277 -4.344 161 HZ PHE 22 HZ PHE 22 2.729 8.580 -3.575 162 H LYS 23 H LYS 23 6.155 9.652 -10.677 163 HA LYS 23 HA LYS 23 6.095 8.167 -13.116 164 1HB LYS 23 1HB LYS 23 7.316 10.854 -12.393 165 2HB LYS 23 2HB LYS 23 7.791 10.145 -13.921 166 1HG LYS 23 1HG LYS 23 5.238 9.942 -14.469 167 2HG LYS 23 2HG LYS 23 4.965 10.921 -13.038 168 1HD LYS 23 1HD LYS 23 5.151 12.079 -15.435 169 2HD LYS 23 2HD LYS 23 5.784 12.888 -13.997 170 1HE LYS 23 1HE LYS 23 8.097 12.240 -14.518 171 2HE LYS 23 2HE LYS 23 7.577 11.109 -15.775 172 1HZ LYS 23 1HZ LYS 23 7.109 12.829 -17.219 173 2HZ LYS 23 2HZ LYS 23 8.372 13.498 -16.390 174 3HZ LYS 23 3HZ LYS 23 6.822 13.949 -16.038 175 H ALA 24 H ALA 24 8.922 9.040 -11.127 176 HA ALA 24 HA ALA 24 11.055 8.044 -12.811 177 1HB ALA 24 1HB ALA 24 12.448 8.006 -10.751 178 2HB ALA 24 2HB ALA 24 11.483 9.491 -10.848 179 3HB ALA 24 3HB ALA 24 11.000 8.188 -9.732 180 H ALA 25 H ALA 25 9.452 6.442 -10.036 181 HA ALA 25 HA ALA 25 10.847 3.843 -10.397 182 1HB ALA 25 1HB ALA 25 9.421 3.069 -8.512 183 2HB ALA 25 2HB ALA 25 10.161 4.639 -8.148 184 3HB ALA 25 3HB ALA 25 8.439 4.551 -8.598 185 H PHE 26 H PHE 26 8.188 5.275 -11.962 186 HA PHE 26 HA PHE 26 6.396 2.909 -12.258 187 1HB PHE 26 1HB PHE 26 5.433 5.172 -12.393 188 2HB PHE 26 2HB PHE 26 6.420 5.589 -13.767 189 HD1 PHE 26 HD1 PHE 26 3.637 3.312 -12.630 190 HD2 PHE 26 HD2 PHE 26 5.694 4.962 -16.030 191 HE1 PHE 26 HE1 PHE 26 1.841 2.519 -14.115 192 HE2 PHE 26 HE2 PHE 26 3.891 4.154 -17.500 193 HZ PHE 26 HZ PHE 26 1.955 2.953 -16.546 194 H ASP 27 H ASP 27 8.843 4.569 -14.241 195 HA ASP 27 HA ASP 27 8.691 2.748 -16.570 196 1HB ASP 27 1HB ASP 27 9.586 4.807 -17.195 197 2HB ASP 27 2HB ASP 27 10.563 4.977 -15.755 198 H MET 28 H MET 28 10.525 2.868 -13.572 199 HA MET 28 HA MET 28 12.534 0.792 -14.102 200 1HB MET 28 1HB MET 28 12.371 2.438 -12.037 201 2HB MET 28 2HB MET 28 11.345 1.208 -11.322 202 1HG MET 28 1HG MET 28 14.172 0.543 -12.349 203 2HG MET 28 2HG MET 28 13.139 -0.454 -11.311 204 1HE MET 28 1HE MET 28 12.139 0.586 -8.874 205 2HE MET 28 2HE MET 28 12.831 2.053 -8.119 206 3HE MET 28 3HE MET 28 11.835 2.197 -9.598 207 H PHE 29 H PHE 29 9.209 0.727 -12.874 208 HA PHE 29 HA PHE 29 9.072 -2.169 -12.260 209 1HB PHE 29 1HB PHE 29 7.495 -0.360 -11.326 210 2HB PHE 29 2HB PHE 29 6.703 -0.307 -12.878 211 HD1 PHE 29 HD1 PHE 29 6.932 -2.082 -9.707 212 HD2 PHE 29 HD2 PHE 29 5.559 -2.495 -13.767 213 HE1 PHE 29 HE1 PHE 29 5.446 -3.924 -9.030 214 HE2 PHE 29 HE2 PHE 29 4.087 -4.339 -13.068 215 HZ PHE 29 HZ PHE 29 4.017 -5.047 -10.704 216 H ASP 30 H ASP 30 8.419 -0.124 -15.063 217 HA ASP 30 HA ASP 30 7.193 -2.144 -16.813 218 1HB ASP 30 1HB ASP 30 8.530 0.537 -17.438 219 2HB ASP 30 2HB ASP 30 6.823 0.161 -17.384 220 H ALA 31 H ALA 31 8.081 -3.467 -18.325 221 HA ALA 31 HA ALA 31 11.110 -3.959 -18.194 222 1HB ALA 31 1HB ALA 31 10.606 -6.363 -18.643 223 2HB ALA 31 2HB ALA 31 9.818 -5.792 -17.159 224 3HB ALA 31 3HB ALA 31 8.859 -6.027 -18.643 225 H ASP 32 H ASP 32 8.214 -3.976 -20.254 226 HA ASP 32 HA ASP 32 9.806 -4.373 -22.801 227 1HB ASP 32 1HB ASP 32 7.909 -5.081 -23.836 228 2HB ASP 32 2HB ASP 32 7.395 -5.398 -22.196 229 H GLY 33 H GLY 33 7.353 -2.046 -21.599 230 1HA GLY 33 1HA GLY 33 7.765 0.454 -21.524 231 2HA GLY 33 2HA GLY 33 8.943 0.247 -22.800 232 H GLY 34 H GLY 34 6.180 1.669 -22.255 233 1HA GLY 34 1HA GLY 34 5.132 1.870 -24.996 234 2HA GLY 34 2HA GLY 34 4.162 0.675 -24.124 235 H GLY 35 H GLY 35 3.153 1.292 -22.120 236 1HA GLY 35 1HA GLY 35 2.930 4.172 -21.302 237 2HA GLY 35 2HA GLY 35 1.469 3.591 -22.111 238 H ASP 36 H ASP 36 1.202 1.042 -21.307 239 HA ASP 36 HA ASP 36 0.784 1.228 -18.280 240 1HB ASP 36 1HB ASP 36 -0.779 -0.747 -19.988 241 2HB ASP 36 2HB ASP 36 -1.166 -0.085 -18.417 242 H ILE 37 H ILE 37 0.836 -0.902 -17.176 243 HA ILE 37 HA ILE 37 3.273 -2.511 -18.055 244 HB ILE 37 HB ILE 37 2.258 -3.192 -15.383 245 1HG1 ILE 37 1HG1 ILE 37 2.644 -0.269 -15.921 246 2HG1 ILE 37 2HG1 ILE 37 1.767 -1.080 -14.638 247 1HG2 ILE 37 1HG2 ILE 37 4.651 -3.148 -14.794 248 2HG2 ILE 37 2HG2 ILE 37 4.431 -3.980 -16.339 249 3HG2 ILE 37 3HG2 ILE 37 5.057 -2.314 -16.314 250 1HD1 ILE 37 1HD1 ILE 37 4.811 -0.629 -14.650 251 2HD1 ILE 37 2HD1 ILE 37 3.598 0.183 -13.637 252 3HD1 ILE 37 3HD1 ILE 37 3.926 -1.550 -13.403 253 H SER 38 H SER 38 3.100 -4.874 -17.129 254 HA SER 38 HA SER 38 0.345 -6.098 -17.556 255 1HB SER 38 1HB SER 38 2.598 -6.328 -19.490 256 2HB SER 38 2HB SER 38 1.916 -7.884 -19.011 257 HG SER 38 HG SER 38 0.719 -5.699 -20.277 258 H THR 39 H THR 39 1.054 -8.718 -17.537 259 HA THR 39 HA THR 39 1.906 -9.174 -14.689 260 HB THR 39 HB THR 39 1.504 -11.720 -15.835 261 HG1 THR 39 HG1 THR 39 0.610 -10.904 -17.634 262 1HG2 THR 39 1HG2 THR 39 -0.569 -11.814 -14.523 263 2HG2 THR 39 2HG2 THR 39 0.673 -10.975 -13.565 264 3HG2 THR 39 3HG2 THR 39 -0.622 -10.044 -14.363 265 H LYS 40 H LYS 40 2.938 -10.207 -17.955 266 HA LYS 40 HA LYS 40 5.257 -11.748 -17.307 267 1HB LYS 40 1HB LYS 40 4.148 -11.436 -19.576 268 2HB LYS 40 2HB LYS 40 5.006 -9.933 -19.788 269 1HG LYS 40 1HG LYS 40 6.143 -12.788 -19.501 270 2HG LYS 40 2HG LYS 40 7.186 -11.392 -19.448 271 1HD LYS 40 1HD LYS 40 5.481 -12.195 -21.902 272 2HD LYS 40 2HD LYS 40 6.455 -10.761 -21.768 273 1HE LYS 40 1HE LYS 40 8.303 -11.786 -22.457 274 2HE LYS 40 2HE LYS 40 8.254 -12.938 -21.130 275 1HZ LYS 40 1HZ LYS 40 6.456 -14.050 -22.729 276 2HZ LYS 40 2HZ LYS 40 8.073 -14.323 -22.925 277 3HZ LYS 40 3HZ LYS 40 7.298 -13.229 -23.889 278 H GLU 41 H GLU 41 5.022 -8.241 -17.994 279 HA GLU 41 HA GLU 41 7.868 -7.599 -17.619 280 1HB GLU 41 1HB GLU 41 7.157 -5.811 -18.718 281 2HB GLU 41 2HB GLU 41 6.654 -5.180 -17.165 282 1HG GLU 41 1HG GLU 41 4.778 -6.721 -19.067 283 2HG GLU 41 2HG GLU 41 4.319 -5.979 -17.550 284 H LEU 42 H LEU 42 5.013 -7.439 -15.510 285 HA LEU 42 HA LEU 42 6.016 -6.005 -13.243 286 1HB LEU 42 1HB LEU 42 3.884 -6.396 -12.650 287 2HB LEU 42 2HB LEU 42 3.730 -7.727 -13.776 288 HG LEU 42 HG LEU 42 4.871 -9.227 -11.953 289 1HD1 LEU 42 1HD1 LEU 42 2.084 -8.096 -11.278 290 2HD1 LEU 42 2HD1 LEU 42 2.388 -9.241 -12.594 291 3HD1 LEU 42 3HD1 LEU 42 2.706 -9.725 -10.909 292 1HD2 LEU 42 1HD2 LEU 42 4.720 -8.491 -9.600 293 2HD2 LEU 42 2HD2 LEU 42 5.684 -7.289 -10.492 294 3HD2 LEU 42 3HD2 LEU 42 3.997 -6.933 -10.078 295 H GLY 43 H GLY 43 6.168 -9.515 -13.882 296 1HA GLY 43 1HA GLY 43 7.359 -10.518 -11.480 297 2HA GLY 43 2HA GLY 43 7.648 -11.240 -13.068 298 H THR 44 H THR 44 8.910 -9.027 -14.308 299 HA THR 44 HA THR 44 11.658 -9.644 -13.904 300 HB THR 44 HB THR 44 10.417 -7.131 -15.107 301 HG1 THR 44 HG1 THR 44 10.965 -8.117 -16.965 302 1HG2 THR 44 1HG2 THR 44 12.637 -6.590 -16.124 303 2HG2 THR 44 2HG2 THR 44 12.680 -6.413 -14.357 304 3HG2 THR 44 3HG2 THR 44 13.415 -7.843 -15.125 305 H VAL 45 H VAL 45 9.865 -6.842 -12.610 306 HA VAL 45 HA VAL 45 12.117 -5.662 -11.126 307 HB VAL 45 HB VAL 45 9.322 -4.970 -11.590 308 1HG1 VAL 45 1HG1 VAL 45 8.825 -3.742 -9.475 309 2HG1 VAL 45 2HG1 VAL 45 8.935 -5.479 -9.166 310 3HG1 VAL 45 3HG1 VAL 45 10.286 -4.418 -8.707 311 1HG2 VAL 45 1HG2 VAL 45 11.694 -3.234 -10.632 312 2HG2 VAL 45 2HG2 VAL 45 11.233 -3.521 -12.326 313 3HG2 VAL 45 3HG2 VAL 45 10.139 -2.628 -11.260 314 H MET 46 H MET 46 9.620 -8.038 -10.398 315 HA MET 46 HA MET 46 9.790 -8.171 -7.501 316 1HB MET 46 1HB MET 46 9.193 -10.534 -9.379 317 2HB MET 46 2HB MET 46 8.869 -10.469 -7.656 318 1HG MET 46 1HG MET 46 7.600 -8.196 -9.149 319 2HG MET 46 2HG MET 46 7.040 -9.797 -9.660 320 1HE MET 46 1HE MET 46 6.991 -7.035 -6.917 321 2HE MET 46 2HE MET 46 6.560 -7.914 -5.421 322 3HE MET 46 3HE MET 46 8.190 -8.108 -6.128 323 NH1 ARG 47 NH1 ARG 47 13.986 -14.288 -12.094 324 NH2 ARG 47 NH2 ARG 47 12.882 -13.228 -13.774 325 H ARG 47 H ARG 47 11.823 -9.485 -10.049 326 HA ARG 47 HA ARG 47 13.344 -11.437 -8.423 327 1HB ARG 47 1HB ARG 47 13.427 -12.009 -10.669 328 2HB ARG 47 2HB ARG 47 13.527 -10.342 -11.222 329 1HG ARG 47 1HG ARG 47 15.897 -11.638 -9.761 330 2HG ARG 47 2HG ARG 47 15.891 -10.164 -10.731 331 1HD ARG 47 1HD ARG 47 16.684 -11.526 -12.432 332 2HD ARG 47 2HD ARG 47 16.165 -12.990 -11.613 333 HE ARG 47 HE ARG 47 14.433 -11.415 -13.521 334 1HH1 ARG 47 1HH1 ARG 47 14.752 -14.264 -11.412 335 2HH1 ARG 47 2HH1 ARG 47 13.307 -15.045 -12.229 336 1HH2 ARG 47 1HH2 ARG 47 12.803 -12.398 -14.373 337 2HH2 ARG 47 2HH2 ARG 47 12.280 -14.058 -13.791 338 H MET 48 H MET 48 13.675 -8.020 -9.148 339 HA MET 48 HA MET 48 16.447 -7.462 -8.813 340 1HB MET 48 1HB MET 48 13.972 -5.826 -8.361 341 2HB MET 48 2HB MET 48 15.376 -5.291 -7.456 342 1HG MET 48 1HG MET 48 14.909 -5.237 -10.442 343 2HG MET 48 2HG MET 48 16.568 -5.584 -9.928 344 1HE MET 48 1HE MET 48 14.078 -3.537 -7.580 345 2HE MET 48 2HE MET 48 14.280 -1.873 -8.201 346 3HE MET 48 3HE MET 48 13.457 -3.104 -9.203 347 H LEU 49 H LEU 49 14.120 -6.996 -6.133 348 HA LEU 49 HA LEU 49 15.983 -6.757 -3.976 349 1HB LEU 49 1HB LEU 49 13.688 -6.196 -3.542 350 2HB LEU 49 2HB LEU 49 14.146 -7.462 -2.424 351 HG LEU 49 HG LEU 49 12.594 -8.084 -5.004 352 1HD1 LEU 49 1HD1 LEU 49 11.345 -7.535 -2.239 353 2HD1 LEU 49 2HD1 LEU 49 11.330 -6.383 -3.587 354 3HD1 LEU 49 3HD1 LEU 49 10.480 -7.940 -3.744 355 1HD2 LEU 49 1HD2 LEU 49 11.958 -10.186 -3.896 356 2HD2 LEU 49 2HD2 LEU 49 13.727 -10.034 -3.760 357 3HD2 LEU 49 3HD2 LEU 49 12.705 -9.675 -2.361 358 H GLY 50 H GLY 50 14.669 -9.640 -5.525 359 1HA GLY 50 1HA GLY 50 16.770 -11.370 -4.083 360 2HA GLY 50 2HA GLY 50 16.386 -11.548 -5.803 361 H GLN 51 H GLN 51 14.682 -12.708 -6.457 362 HA GLN 51 HA GLN 51 13.269 -14.538 -4.510 363 1HB GLN 51 1HB GLN 51 11.534 -12.692 -6.238 364 2HB GLN 51 2HB GLN 51 11.953 -12.313 -4.579 365 1HG GLN 51 1HG GLN 51 9.775 -13.305 -4.503 366 2HG GLN 51 2HG GLN 51 10.196 -14.596 -5.607 367 1HE2 GLN 51 1HE2 GLN 51 10.423 -16.612 -2.633 368 2HE2 GLN 51 2HE2 GLN 51 9.646 -16.303 -4.267 369 H ASN 52 H ASN 52 11.600 -15.836 -5.926 370 HA ASN 52 HA ASN 52 12.486 -16.175 -8.793 371 1HB ASN 52 1HB ASN 52 13.687 -17.801 -6.999 372 2HB ASN 52 2HB ASN 52 12.232 -18.754 -7.186 373 1HD2 ASN 52 1HD2 ASN 52 14.675 -20.010 -9.730 374 2HD2 ASN 52 2HD2 ASN 52 14.234 -20.129 -7.953 375 HA PRO 53 HA PRO 53 7.802 -16.496 -8.152 376 1HB PRO 53 1HB PRO 53 6.954 -14.898 -10.230 377 2HB PRO 53 2HB PRO 53 7.615 -14.275 -8.712 378 1HG PRO 53 1HG PRO 53 9.057 -14.605 -11.387 379 2HG PRO 53 2HG PRO 53 9.089 -13.203 -10.293 380 1HD PRO 53 1HD PRO 53 10.739 -14.232 -8.886 381 2HD PRO 53 2HD PRO 53 11.077 -15.220 -10.338 382 H THR 54 H THR 54 6.002 -16.970 -9.933 383 HA THR 54 HA THR 54 6.971 -18.880 -12.099 384 HB THR 54 HB THR 54 5.988 -19.835 -9.624 385 HG1 THR 54 HG1 THR 54 6.624 -20.822 -12.142 386 1HG2 THR 54 1HG2 THR 54 3.989 -21.174 -10.198 387 2HG2 THR 54 2HG2 THR 54 3.612 -19.441 -10.341 388 3HG2 THR 54 3HG2 THR 54 3.890 -20.417 -11.806 389 H LYS 55 H LYS 55 5.041 -19.594 -13.439 390 HA LYS 55 HA LYS 55 3.876 -17.188 -14.647 391 1HB LYS 55 1HB LYS 55 4.474 -19.175 -16.013 392 2HB LYS 55 2HB LYS 55 3.299 -20.170 -15.178 393 1HG LYS 55 1HG LYS 55 1.847 -17.919 -16.254 394 2HG LYS 55 2HG LYS 55 2.934 -18.461 -17.521 395 1HD LYS 55 1HD LYS 55 1.972 -20.912 -16.956 396 2HD LYS 55 2HD LYS 55 1.062 -19.795 -17.961 397 1HE LYS 55 1HE LYS 55 -0.063 -21.108 -15.881 398 2HE LYS 55 2HE LYS 55 0.501 -19.711 -14.967 399 1HZ LYS 55 1HZ LYS 55 -1.826 -19.736 -16.172 400 2HZ LYS 55 2HZ LYS 55 -0.962 -19.207 -17.477 401 3HZ LYS 55 3HZ LYS 55 -0.958 -18.334 -16.075 402 H GLU 56 H GLU 56 2.418 -19.963 -12.925 403 HA GLU 56 HA GLU 56 -0.337 -18.964 -12.944 404 1HB GLU 56 1HB GLU 56 0.237 -20.816 -10.713 405 2HB GLU 56 2HB GLU 56 0.936 -21.381 -12.217 406 1HG GLU 56 1HG GLU 56 -1.200 -21.604 -13.288 407 2HG GLU 56 2HG GLU 56 -1.986 -20.468 -12.204 408 H GLU 57 H GLU 57 2.223 -18.981 -10.459 409 HA GLU 57 HA GLU 57 0.715 -17.789 -8.262 410 1HB GLU 57 1HB GLU 57 3.615 -17.122 -8.277 411 2HB GLU 57 2HB GLU 57 3.275 -18.822 -8.517 412 1HG GLU 57 1HG GLU 57 2.676 -17.085 -6.067 413 2HG GLU 57 2HG GLU 57 1.686 -18.515 -6.334 414 H LEU 58 H LEU 58 2.464 -16.419 -10.993 415 HA LEU 58 HA LEU 58 2.622 -13.636 -10.016 416 1HB LEU 58 1HB LEU 58 3.693 -15.144 -12.185 417 2HB LEU 58 2HB LEU 58 2.717 -13.907 -12.952 418 HG LEU 58 HG LEU 58 4.397 -12.760 -10.779 419 1HD1 LEU 58 1HD1 LEU 58 4.487 -12.181 -13.814 420 2HD1 LEU 58 2HD1 LEU 58 3.309 -11.443 -12.719 421 3HD1 LEU 58 3HD1 LEU 58 5.046 -11.119 -12.497 422 1HD2 LEU 58 1HD2 LEU 58 6.627 -13.170 -11.751 423 2HD2 LEU 58 2HD2 LEU 58 5.861 -14.743 -11.413 424 3HD2 LEU 58 3HD2 LEU 58 5.927 -14.133 -13.077 425 H ASP 59 H ASP 59 0.406 -15.503 -12.044 426 HA ASP 59 HA ASP 59 -1.281 -13.262 -12.961 427 1HB ASP 59 1HB ASP 59 -1.138 -15.408 -14.228 428 2HB ASP 59 2HB ASP 59 -1.929 -16.262 -12.924 429 H ALA 60 H ALA 60 -1.288 -15.417 -10.185 430 HA ALA 60 HA ALA 60 -3.916 -14.573 -9.060 431 1HB ALA 60 1HB ALA 60 -3.192 -15.815 -7.026 432 2HB ALA 60 2HB ALA 60 -2.954 -16.783 -8.494 433 3HB ALA 60 3HB ALA 60 -1.556 -16.020 -7.694 434 H ILE 61 H ILE 61 -0.570 -13.522 -8.858 435 HA ILE 61 HA ILE 61 -0.750 -11.707 -6.554 436 HB ILE 61 HB ILE 61 1.253 -12.252 -8.678 437 1HG1 ILE 61 1HG1 ILE 61 2.365 -12.988 -6.839 438 2HG1 ILE 61 2HG1 ILE 61 1.058 -12.444 -5.810 439 1HG2 ILE 61 1HG2 ILE 61 2.554 -10.122 -8.396 440 2HG2 ILE 61 2HG2 ILE 61 0.990 -9.799 -9.142 441 3HG2 ILE 61 3HG2 ILE 61 1.237 -9.426 -7.420 442 1HD1 ILE 61 1HD1 ILE 61 2.098 -10.219 -5.460 443 2HD1 ILE 61 2HD1 ILE 61 3.243 -11.519 -5.064 444 3HD1 ILE 61 3HD1 ILE 61 3.413 -10.631 -6.596 445 H ILE 62 H ILE 62 -1.415 -11.431 -10.012 446 HA ILE 62 HA ILE 62 -1.936 -8.487 -9.974 447 HB ILE 62 HB ILE 62 -2.138 -10.622 -12.131 448 1HG1 ILE 62 1HG1 ILE 62 0.063 -9.942 -12.272 449 2HG1 ILE 62 2HG1 ILE 62 -0.216 -8.450 -11.399 450 1HG2 ILE 62 1HG2 ILE 62 -2.930 -8.910 -13.789 451 2HG2 ILE 62 2HG2 ILE 62 -4.138 -9.145 -12.528 452 3HG2 ILE 62 3HG2 ILE 62 -3.099 -7.702 -12.491 453 1HD1 ILE 62 1HD1 ILE 62 -1.028 -7.273 -13.424 454 2HD1 ILE 62 2HD1 ILE 62 0.559 -8.012 -13.723 455 3HD1 ILE 62 3HD1 ILE 62 -0.907 -8.779 -14.376 456 H GLU 63 H GLU 63 -3.767 -11.502 -9.858 457 HA GLU 63 HA GLU 63 -6.464 -10.716 -10.226 458 1HB GLU 63 1HB GLU 63 -6.115 -13.013 -9.885 459 2HB GLU 63 2HB GLU 63 -5.234 -12.797 -8.386 460 1HG GLU 63 1HG GLU 63 -7.277 -12.361 -7.122 461 2HG GLU 63 2HG GLU 63 -8.222 -12.090 -8.576 462 H GLU 64 H GLU 64 -4.376 -10.206 -7.417 463 HA GLU 64 HA GLU 64 -6.425 -8.669 -5.843 464 1HB GLU 64 1HB GLU 64 -3.509 -8.470 -5.116 465 2HB GLU 64 2HB GLU 64 -4.211 -10.075 -5.061 466 1HG GLU 64 1HG GLU 64 -5.297 -9.636 -3.091 467 2HG GLU 64 2HG GLU 64 -6.008 -8.155 -3.709 468 H VAL 65 H VAL 65 -6.763 -6.565 -5.958 469 HA VAL 65 HA VAL 65 -6.249 -4.193 -6.145 470 HB VAL 65 HB VAL 65 -3.869 -4.816 -7.948 471 1HG1 VAL 65 1HG1 VAL 65 -3.683 -4.491 -4.883 472 2HG1 VAL 65 2HG1 VAL 65 -3.633 -6.059 -5.711 473 3HG1 VAL 65 3HG1 VAL 65 -2.360 -4.854 -6.019 474 1HG2 VAL 65 1HG2 VAL 65 -3.050 -2.589 -7.351 475 2HG2 VAL 65 2HG2 VAL 65 -4.758 -2.391 -7.814 476 3HG2 VAL 65 3HG2 VAL 65 -4.304 -2.378 -6.104 477 H ASP 66 H ASP 66 -6.188 -6.521 -8.795 478 HA ASP 66 HA ASP 66 -7.365 -4.574 -10.780 479 1HB ASP 66 1HB ASP 66 -6.204 -7.350 -10.991 480 2HB ASP 66 2HB ASP 66 -7.483 -6.964 -12.118 481 H GLU 67 H GLU 67 -9.132 -4.293 -9.160 482 HA GLU 67 HA GLU 67 -11.251 -6.430 -8.990 483 1HB GLU 67 1HB GLU 67 -10.511 -4.746 -7.109 484 2HB GLU 67 2HB GLU 67 -11.541 -3.583 -7.923 485 1HG GLU 67 1HG GLU 67 -13.163 -4.400 -6.508 486 2HG GLU 67 2HG GLU 67 -13.341 -5.663 -7.713 487 H ASP 68 H ASP 68 -10.488 -5.156 -11.603 488 HA ASP 68 HA ASP 68 -13.170 -3.908 -12.397 489 1HB ASP 68 1HB ASP 68 -11.405 -3.060 -14.403 490 2HB ASP 68 2HB ASP 68 -12.099 -2.089 -13.124 491 H GLY 69 H GLY 69 -10.305 -5.382 -13.980 492 1HA GLY 69 1HA GLY 69 -10.800 -7.848 -14.900 493 2HA GLY 69 2HA GLY 69 -12.172 -7.084 -15.715 494 H SER 70 H SER 70 -8.856 -5.888 -15.229 495 HA SER 70 HA SER 70 -8.484 -5.658 -18.269 496 1HB SER 70 1HB SER 70 -7.201 -3.670 -17.985 497 2HB SER 70 2HB SER 70 -8.635 -3.466 -16.976 498 HG SER 70 HG SER 70 -7.454 -3.882 -15.186 499 H GLY 71 H GLY 71 -6.676 -5.997 -15.187 500 1HA GLY 71 1HA GLY 71 -5.114 -7.899 -14.679 501 2HA GLY 71 2HA GLY 71 -4.922 -8.164 -16.417 502 H THR 72 H THR 72 -4.604 -5.339 -17.045 503 HA THR 72 HA THR 72 -1.652 -5.071 -16.501 504 HB THR 72 HB THR 72 -1.835 -3.034 -18.062 505 HG1 THR 72 HG1 THR 72 -4.330 -3.389 -17.731 506 1HG2 THR 72 1HG2 THR 72 -1.880 -4.334 -20.152 507 2HG2 THR 72 2HG2 THR 72 -0.950 -5.236 -18.934 508 3HG2 THR 72 3HG2 THR 72 -2.612 -5.738 -19.343 509 H ILE 73 H ILE 73 -0.728 -3.550 -15.262 510 HA ILE 73 HA ILE 73 -2.500 -1.886 -13.425 511 HB ILE 73 HB ILE 73 0.440 -2.689 -13.156 512 1HG1 ILE 73 1HG1 ILE 73 -0.907 -4.615 -12.609 513 2HG1 ILE 73 2HG1 ILE 73 -0.410 -3.919 -11.081 514 1HG2 ILE 73 1HG2 ILE 73 0.475 -1.554 -10.938 515 2HG2 ILE 73 2HG2 ILE 73 0.073 -0.377 -12.196 516 3HG2 ILE 73 3HG2 ILE 73 -1.208 -1.012 -11.135 517 1HD1 ILE 73 1HD1 ILE 73 -3.221 -3.603 -12.286 518 2HD1 ILE 73 2HD1 ILE 73 -2.742 -4.597 -10.894 519 3HD1 ILE 73 3HD1 ILE 73 -2.663 -2.822 -10.781 520 H ASP 74 H ASP 74 -3.037 -0.350 -14.992 521 HA ASP 74 HA ASP 74 -1.082 1.254 -16.509 522 1HB ASP 74 1HB ASP 74 -2.849 2.468 -17.396 523 2HB ASP 74 2HB ASP 74 -3.768 2.484 -15.909 524 H PHE 75 H PHE 75 -1.254 3.773 -16.195 525 HA PHE 75 HA PHE 75 0.161 4.435 -13.689 526 1HB PHE 75 1HB PHE 75 -1.020 6.481 -15.656 527 2HB PHE 75 2HB PHE 75 0.415 5.565 -16.031 528 HD1 PHE 75 HD1 PHE 75 2.510 5.834 -14.536 529 HD2 PHE 75 HD2 PHE 75 -0.928 8.386 -14.102 530 HE1 PHE 75 HE1 PHE 75 3.877 7.489 -13.331 531 HE2 PHE 75 HE2 PHE 75 0.459 10.032 -12.905 532 HZ PHE 75 HZ PHE 75 2.859 9.593 -12.528 533 H GLU 76 H GLU 76 -3.134 4.750 -14.890 534 HA GLU 76 HA GLU 76 -4.185 6.578 -12.833 535 1HB GLU 76 1HB GLU 76 -6.480 5.553 -13.628 536 2HB GLU 76 2HB GLU 76 -5.526 4.765 -14.866 537 1HG GLU 76 1HG GLU 76 -6.651 7.353 -15.006 538 2HG GLU 76 2HG GLU 76 -4.960 7.689 -14.697 539 H GLU 77 H GLU 77 -4.019 3.064 -13.181 540 HA GLU 77 HA GLU 77 -5.612 2.417 -10.744 541 1HB GLU 77 1HB GLU 77 -5.289 0.931 -12.848 542 2HB GLU 77 2HB GLU 77 -3.738 0.486 -12.173 543 1HG GLU 77 1HG GLU 77 -6.149 0.170 -10.348 544 2HG GLU 77 2HG GLU 77 -4.681 -0.797 -10.422 545 H PHE 78 H PHE 78 -2.229 2.895 -11.532 546 HA PHE 78 HA PHE 78 -1.018 1.754 -9.117 547 1HB PHE 78 1HB PHE 78 0.288 2.231 -11.197 548 2HB PHE 78 2HB PHE 78 0.065 3.950 -10.998 549 HD1 PHE 78 HD1 PHE 78 2.548 4.311 -10.947 550 HD2 PHE 78 HD2 PHE 78 0.695 1.741 -8.036 551 HE1 PHE 78 HE1 PHE 78 4.611 4.326 -9.603 552 HE2 PHE 78 HE2 PHE 78 2.772 1.755 -6.715 553 HZ PHE 78 HZ PHE 78 4.730 3.045 -7.492 554 H LEU 79 H LEU 79 -2.419 4.874 -9.932 555 HA LEU 79 HA LEU 79 -1.498 6.318 -7.486 556 1HB LEU 79 1HB LEU 79 -3.555 7.040 -9.651 557 2HB LEU 79 2HB LEU 79 -3.257 8.065 -8.264 558 HG LEU 79 HG LEU 79 -1.576 7.630 -10.719 559 1HD1 LEU 79 1HD1 LEU 79 -1.074 10.053 -10.387 560 2HD1 LEU 79 2HD1 LEU 79 -2.822 9.762 -10.319 561 3HD1 LEU 79 3HD1 LEU 79 -1.911 10.039 -8.813 562 1HD2 LEU 79 1HD2 LEU 79 -0.192 8.135 -7.998 563 2HD2 LEU 79 2HD2 LEU 79 0.031 6.708 -9.040 564 3HD2 LEU 79 3HD2 LEU 79 0.576 8.297 -9.598 565 H VAL 80 H VAL 80 -4.369 4.571 -8.549 566 HA VAL 80 HA VAL 80 -6.197 5.293 -6.372 567 HB VAL 80 HB VAL 80 -6.170 2.946 -8.311 568 1HG1 VAL 80 1HG1 VAL 80 -8.259 5.188 -7.990 569 2HG1 VAL 80 2HG1 VAL 80 -6.882 5.304 -9.093 570 3HG1 VAL 80 3HG1 VAL 80 -8.096 4.027 -9.333 571 1HG2 VAL 80 1HG2 VAL 80 -8.336 2.139 -7.495 572 2HG2 VAL 80 2HG2 VAL 80 -7.222 2.127 -6.108 573 3HG2 VAL 80 3HG2 VAL 80 -8.424 3.417 -6.258 574 H MET 81 H MET 81 -3.807 2.707 -6.832 575 HA MET 81 HA MET 81 -4.293 1.151 -4.380 576 1HB MET 81 1HB MET 81 -1.502 1.351 -5.587 577 2HB MET 81 2HB MET 81 -2.786 0.608 -6.523 578 1HG MET 81 1HG MET 81 -3.181 -0.839 -4.257 579 2HG MET 81 2HG MET 81 -1.972 -1.296 -5.469 580 1HE MET 81 1HE MET 81 0.558 -0.023 -5.416 581 2HE MET 81 2HE MET 81 1.441 -0.507 -3.937 582 3HE MET 81 3HE MET 81 0.518 -1.726 -4.861 583 H MET 82 H MET 82 -1.598 3.385 -5.118 584 HA MET 82 HA MET 82 -0.448 3.591 -2.504 585 1HB MET 82 1HB MET 82 0.115 6.104 -3.433 586 2HB MET 82 2HB MET 82 -0.393 5.370 -4.943 587 1HG MET 82 1HG MET 82 1.899 4.897 -5.002 588 2HG MET 82 2HG MET 82 1.311 3.407 -4.253 589 1HE MET 82 1HE MET 82 4.462 4.945 -3.966 590 2HE MET 82 2HE MET 82 3.962 3.252 -3.678 591 3HE MET 82 3HE MET 82 4.752 4.181 -2.371 592 H VAL 83 H VAL 83 -3.283 5.172 -3.845 593 HA VAL 83 HA VAL 83 -3.577 7.337 -1.878 594 HB VAL 83 HB VAL 83 -5.262 6.255 -4.099 595 1HG1 VAL 83 1HG1 VAL 83 -7.321 7.501 -3.418 596 2HG1 VAL 83 2HG1 VAL 83 -6.977 6.195 -2.276 597 3HG1 VAL 83 3HG1 VAL 83 -6.597 7.875 -1.833 598 1HG2 VAL 83 1HG2 VAL 83 -4.675 9.146 -3.173 599 2HG2 VAL 83 2HG2 VAL 83 -3.821 8.277 -4.469 600 3HG2 VAL 83 3HG2 VAL 83 -5.534 8.679 -4.664 601 NH1 ARG 84 NH1 ARG 84 -10.030 0.207 -3.951 602 NH2 ARG 84 NH2 ARG 84 -10.549 -0.895 -2.034 603 H ARG 84 H ARG 84 -5.095 4.123 -2.246 604 HA ARG 84 HA ARG 84 -6.998 4.122 -0.075 605 1HB ARG 84 1HB ARG 84 -5.399 1.865 -1.386 606 2HB ARG 84 2HB ARG 84 -6.391 1.542 0.028 607 1HG ARG 84 1HG ARG 84 -7.714 3.053 -2.251 608 2HG ARG 84 2HG ARG 84 -8.435 1.953 -1.073 609 1HD ARG 84 1HD ARG 84 -6.407 0.559 -2.745 610 2HD ARG 84 2HD ARG 84 -7.655 1.300 -3.747 611 HE ARG 84 HE ARG 84 -8.055 -0.941 -1.760 612 1HH1 ARG 84 1HH1 ARG 84 -10.229 -1.264 -1.132 613 2HH1 ARG 84 2HH1 ARG 84 -11.498 -0.954 -2.420 614 1HH2 ARG 84 1HH2 ARG 84 -9.330 0.736 -4.484 615 2HH2 ARG 84 2HH2 ARG 84 -10.996 0.007 -4.234 616 H GLN 85 H GLN 85 -3.618 2.927 -0.040 617 HA GLN 85 HA GLN 85 -3.533 2.316 2.849 618 1HB GLN 85 1HB GLN 85 -0.975 2.260 2.449 619 2HB GLN 85 2HB GLN 85 -1.307 2.654 0.773 620 1HG GLN 85 1HG GLN 85 -2.508 0.183 2.159 621 2HG GLN 85 2HG GLN 85 -2.591 0.556 0.452 622 1HE2 GLN 85 1HE2 GLN 85 0.184 -1.834 0.484 623 2HE2 GLN 85 2HE2 GLN 85 -1.644 -1.772 0.633 624 H MET 86 H MET 86 -2.746 5.106 0.848 625 HA MET 86 HA MET 86 -1.158 6.708 2.658 626 1HB MET 86 1HB MET 86 -2.555 7.176 0.118 627 2HB MET 86 2HB MET 86 -2.796 8.546 1.186 628 1HG MET 86 1HG MET 86 -0.304 7.652 -0.213 629 2HG MET 86 2HG MET 86 -0.029 8.095 1.480 630 1HE MET 86 1HE MET 86 -3.024 9.526 -0.758 631 2HE MET 86 2HE MET 86 -2.259 10.970 -1.485 632 3HE MET 86 3HE MET 86 -1.722 9.336 -1.975 633 H LYS 87 H LYS 87 -4.642 6.250 2.364 634 HA LYS 87 HA LYS 87 -5.387 8.260 4.478 635 1HB LYS 87 1HB LYS 87 -7.717 7.220 4.269 636 2HB LYS 87 2HB LYS 87 -7.073 6.112 3.066 637 1HG LYS 87 1HG LYS 87 -7.602 9.081 2.814 638 2HG LYS 87 2HG LYS 87 -6.257 8.443 1.883 639 1HD LYS 87 1HD LYS 87 -8.203 8.407 0.444 640 2HD LYS 87 2HD LYS 87 -7.821 6.738 0.853 641 1HE LYS 87 1HE LYS 87 -9.766 7.848 2.810 642 2HE LYS 87 2HE LYS 87 -10.369 8.016 1.155 643 1HZ LYS 87 1HZ LYS 87 -9.417 5.499 1.118 644 2HZ LYS 87 2HZ LYS 87 -10.982 5.890 1.474 645 3HZ LYS 87 3HZ LYS 87 -9.904 5.604 2.693 646 H GLU 88 H GLU 88 -5.717 7.873 6.561 647 HA GLU 88 HA GLU 88 -5.582 5.015 7.643 648 1HB GLU 88 1HB GLU 88 -4.110 7.331 8.994 649 2HB GLU 88 2HB GLU 88 -3.339 6.295 7.810 650 1HG GLU 88 1HG GLU 88 -3.575 4.315 9.256 651 2HG GLU 88 2HG GLU 88 -4.667 5.153 10.345 652 H ASP 89 H ASP 89 -7.841 6.598 7.058 653 HA ASP 89 HA ASP 89 -9.093 6.837 9.828 654 1HB ASP 89 1HB ASP 89 -10.425 8.890 8.537 655 2HB ASP 89 2HB ASP 89 -8.830 9.077 7.846 656 H ALA 90 H ALA 90 -10.294 5.068 9.659 657 HA ALA 90 HA ALA 90 -12.847 4.963 8.361 658 1HB ALA 90 1HB ALA 90 -12.523 3.376 6.446 659 2HB ALA 90 2HB ALA 90 -11.653 4.895 6.156 660 3HB ALA 90 3HB ALA 90 -10.755 3.440 6.652 Start of MODEL 24 Raw file had 660 H/Q atoms Start of MODEL 24 1 1H ALA 1 1H ALA 1 -20.362 -2.048 -16.334 2 2H ALA 1 2H ALA 1 -20.144 -3.386 -15.339 3 3H ALA 1 3H ALA 1 -21.552 -3.232 -16.245 4 HA ALA 1 HA ALA 1 -21.727 -0.978 -14.961 5 1HB ALA 1 1HB ALA 1 -22.691 -3.786 -14.223 6 2HB ALA 1 2HB ALA 1 -23.610 -2.435 -14.913 7 3HB ALA 1 3HB ALA 1 -23.138 -2.403 -13.195 8 H SER 2 H SER 2 -19.123 -1.115 -14.630 9 HA SER 2 HA SER 2 -18.528 -1.766 -11.692 10 1HB SER 2 1HB SER 2 -16.222 -1.175 -13.518 11 2HB SER 2 2HB SER 2 -16.384 -2.367 -12.226 12 HG SER 2 HG SER 2 -16.471 -3.568 -13.960 13 H MET 3 H MET 3 -19.630 0.203 -11.111 14 HA MET 3 HA MET 3 -18.441 2.872 -11.916 15 1HB MET 3 1HB MET 3 -21.030 1.971 -10.905 16 2HB MET 3 2HB MET 3 -20.410 3.220 -9.841 17 1HG MET 3 1HG MET 3 -21.469 4.601 -11.372 18 2HG MET 3 2HG MET 3 -19.921 4.481 -12.220 19 1HE MET 3 1HE MET 3 -19.929 1.771 -14.396 20 2HE MET 3 2HE MET 3 -19.345 3.433 -14.090 21 3HE MET 3 3HE MET 3 -20.481 3.124 -15.435 22 H THR 4 H THR 4 -16.479 3.032 -10.993 23 HA THR 4 HA THR 4 -16.304 3.217 -7.988 24 HB THR 4 HB THR 4 -15.784 0.867 -8.502 25 HG1 THR 4 HG1 THR 4 -15.012 1.506 -6.683 26 1HG2 THR 4 1HG2 THR 4 -13.228 0.483 -9.148 27 2HG2 THR 4 2HG2 THR 4 -13.428 1.966 -10.108 28 3HG2 THR 4 3HG2 THR 4 -14.454 0.545 -10.432 29 H ASP 5 H ASP 5 -15.204 4.944 -7.414 30 HA ASP 5 HA ASP 5 -13.594 6.566 -9.387 31 1HB ASP 5 1HB ASP 5 -13.740 8.399 -7.930 32 2HB ASP 5 2HB ASP 5 -13.869 7.415 -6.490 33 H GLN 6 H GLN 6 -12.371 4.225 -9.073 34 HA GLN 6 HA GLN 6 -10.102 4.406 -7.075 35 1HB GLN 6 1HB GLN 6 -9.784 2.358 -9.181 36 2HB GLN 6 2HB GLN 6 -11.380 2.272 -8.459 37 1HG GLN 6 1HG GLN 6 -9.019 2.472 -6.556 38 2HG GLN 6 2HG GLN 6 -10.570 1.697 -6.315 39 1HE2 GLN 6 1HE2 GLN 6 -7.628 -0.420 -8.383 40 2HE2 GLN 6 2HE2 GLN 6 -7.675 1.413 -8.448 41 H GLN 7 H GLN 7 -10.172 6.656 -8.591 42 HA GLN 7 HA GLN 7 -7.527 6.795 -9.939 43 1HB GLN 7 1HB GLN 7 -8.038 6.309 -12.090 44 2HB GLN 7 2HB GLN 7 -9.134 7.683 -12.098 45 1HG GLN 7 1HG GLN 7 -9.917 5.117 -12.676 46 2HG GLN 7 2HG GLN 7 -10.299 5.131 -10.961 47 1HE2 GLN 7 1HE2 GLN 7 -12.245 7.998 -13.314 48 2HE2 GLN 7 2HE2 GLN 7 -10.471 7.618 -13.586 49 H ALA 8 H ALA 8 -10.799 8.147 -9.588 50 HA ALA 8 HA ALA 8 -10.039 10.985 -9.959 51 1HB ALA 8 1HB ALA 8 -12.356 11.482 -9.195 52 2HB ALA 8 2HB ALA 8 -12.341 10.202 -10.423 53 3HB ALA 8 3HB ALA 8 -12.594 9.787 -8.708 54 H GLU 9 H GLU 9 -10.360 8.789 -7.220 55 HA GLU 9 HA GLU 9 -10.320 10.791 -5.050 56 1HB GLU 9 1HB GLU 9 -10.250 9.020 -3.486 57 2HB GLU 9 2HB GLU 9 -11.209 8.411 -4.827 58 1HG GLU 9 1HG GLU 9 -9.063 7.217 -5.712 59 2HG GLU 9 2HG GLU 9 -8.302 7.626 -4.179 60 H ALA 10 H ALA 10 -7.833 8.697 -6.513 61 HA ALA 10 HA ALA 10 -5.625 9.537 -4.726 62 1HB ALA 10 1HB ALA 10 -4.167 8.238 -6.269 63 2HB ALA 10 2HB ALA 10 -5.614 7.316 -5.821 64 3HB ALA 10 3HB ALA 10 -5.501 8.064 -7.434 65 NH1 ARG 11 NH1 ARG 11 -9.735 13.267 -13.577 66 NH2 ARG 11 NH2 ARG 11 -10.882 14.846 -12.415 67 H ARG 11 H ARG 11 -6.886 10.575 -7.839 68 HA ARG 11 HA ARG 11 -4.571 12.207 -8.744 69 1HB ARG 11 1HB ARG 11 -5.754 11.911 -10.657 70 2HB ARG 11 2HB ARG 11 -7.211 11.467 -9.780 71 1HG ARG 11 1HG ARG 11 -8.016 13.717 -9.623 72 2HG ARG 11 2HG ARG 11 -6.443 14.425 -9.999 73 1HD ARG 11 1HD ARG 11 -6.600 13.963 -12.320 74 2HD ARG 11 2HD ARG 11 -7.717 12.613 -12.110 75 HE ARG 11 HE ARG 11 -8.573 15.532 -11.696 76 1HH1 ARG 11 1HH1 ARG 11 -8.836 12.809 -13.762 77 2HH1 ARG 11 2HH1 ARG 11 -10.632 13.067 -14.034 78 1HH2 ARG 11 1HH2 ARG 11 -10.861 15.581 -11.699 79 2HH2 ARG 11 2HH2 ARG 11 -11.694 14.548 -12.966 80 H ALA 12 H ALA 12 -7.659 12.866 -7.106 81 HA ALA 12 HA ALA 12 -7.364 15.829 -7.053 82 1HB ALA 12 1HB ALA 12 -9.399 15.797 -5.624 83 2HB ALA 12 2HB ALA 12 -9.609 14.785 -7.066 84 3HB ALA 12 3HB ALA 12 -9.311 14.024 -5.483 85 H PHE 13 H PHE 13 -6.621 13.131 -4.908 86 HA PHE 13 HA PHE 13 -6.019 14.654 -2.473 87 1HB PHE 13 1HB PHE 13 -6.577 12.217 -2.520 88 2HB PHE 13 2HB PHE 13 -5.066 11.850 -3.310 89 HD1 PHE 13 HD1 PHE 13 -3.728 14.262 -1.378 90 HD2 PHE 13 HD2 PHE 13 -5.836 10.564 -0.732 91 HE1 PHE 13 HE1 PHE 13 -2.687 14.042 0.841 92 HE2 PHE 13 HE2 PHE 13 -4.787 10.366 1.484 93 HZ PHE 13 HZ PHE 13 -3.214 12.099 2.275 94 H LEU 14 H LEU 14 -4.080 13.441 -5.192 95 HA LEU 14 HA LEU 14 -1.481 14.563 -4.084 96 1HB LEU 14 1HB LEU 14 -1.836 13.103 -6.757 97 2HB LEU 14 2HB LEU 14 -0.346 13.393 -5.887 98 HG LEU 14 HG LEU 14 -2.504 11.695 -4.547 99 1HD1 LEU 14 1HD1 LEU 14 0.572 11.503 -4.446 100 2HD1 LEU 14 2HD1 LEU 14 -0.410 12.409 -3.280 101 3HD1 LEU 14 3HD1 LEU 14 -0.590 10.641 -3.406 102 1HD2 LEU 14 1HD2 LEU 14 -1.717 9.633 -5.635 103 2HD2 LEU 14 2HD2 LEU 14 -2.175 10.770 -6.927 104 3HD2 LEU 14 3HD2 LEU 14 -0.465 10.519 -6.545 105 H SER 15 H SER 15 -0.099 15.640 -5.850 106 HA SER 15 HA SER 15 -1.751 17.713 -7.402 107 1HB SER 15 1HB SER 15 -0.209 19.413 -6.866 108 2HB SER 15 2HB SER 15 1.076 18.287 -6.423 109 HG SER 15 HG SER 15 0.341 18.763 -4.527 110 H GLU 16 H GLU 16 -0.137 18.781 -9.083 111 HA GLU 16 HA GLU 16 0.520 16.730 -11.112 112 1HB GLU 16 1HB GLU 16 1.308 19.675 -11.301 113 2HB GLU 16 2HB GLU 16 -0.358 19.161 -11.478 114 1HG GLU 16 1HG GLU 16 0.515 19.351 -13.711 115 2HG GLU 16 2HG GLU 16 2.028 18.560 -13.304 116 H GLU 17 H GLU 17 2.310 18.697 -8.814 117 HA GLU 17 HA GLU 17 5.025 18.067 -9.931 118 1HB GLU 17 1HB GLU 17 4.054 19.720 -7.582 119 2HB GLU 17 2HB GLU 17 4.950 20.220 -9.003 120 1HG GLU 17 1HG GLU 17 6.258 18.357 -6.940 121 2HG GLU 17 2HG GLU 17 7.047 19.379 -8.129 122 H MET 18 H MET 18 2.919 17.014 -7.303 123 HA MET 18 HA MET 18 4.881 15.312 -5.850 124 1HB MET 18 1HB MET 18 2.668 14.234 -4.895 125 2HB MET 18 2HB MET 18 1.837 15.530 -5.736 126 1HG MET 18 1HG MET 18 3.558 17.132 -4.413 127 2HG MET 18 2HG MET 18 2.090 16.517 -3.636 128 1HE MET 18 1HE MET 18 2.330 13.667 -2.720 129 2HE MET 18 2HE MET 18 3.253 13.780 -1.192 130 3HE MET 18 3HE MET 18 2.008 15.006 -1.573 131 H ILE 19 H ILE 19 2.520 14.896 -8.442 132 HA ILE 19 HA ILE 19 2.525 11.957 -8.621 133 HB ILE 19 HB ILE 19 1.371 14.169 -10.172 134 1HG1 ILE 19 1HG1 ILE 19 0.620 11.276 -9.496 135 2HG1 ILE 19 2HG1 ILE 19 -0.262 12.109 -10.758 136 1HG2 ILE 19 1HG2 ILE 19 1.215 13.039 -12.405 137 2HG2 ILE 19 2HG2 ILE 19 2.897 13.399 -12.023 138 3HG2 ILE 19 3HG2 ILE 19 2.293 11.736 -11.847 139 1HD1 ILE 19 1HD1 ILE 19 -1.032 13.888 -9.213 140 2HD1 ILE 19 2HD1 ILE 19 -1.428 12.283 -8.566 141 3HD1 ILE 19 3HD1 ILE 19 -0.058 13.194 -7.888 142 H ALA 20 H ALA 20 4.536 14.558 -9.914 143 HA ALA 20 HA ALA 20 6.044 13.226 -11.955 144 1HB ALA 20 1HB ALA 20 7.789 14.970 -11.599 145 2HB ALA 20 2HB ALA 20 6.159 15.670 -11.583 146 3HB ALA 20 3HB ALA 20 7.045 15.442 -10.054 147 H GLU 21 H GLU 21 6.450 13.184 -8.443 148 HA GLU 21 HA GLU 21 9.153 12.075 -8.283 149 1HB GLU 21 1HB GLU 21 6.898 11.915 -6.213 150 2HB GLU 21 2HB GLU 21 8.568 11.480 -5.907 151 1HG GLU 21 1HG GLU 21 7.336 14.240 -6.301 152 2HG GLU 21 2HG GLU 21 9.008 14.031 -6.794 153 H PHE 22 H PHE 22 5.925 10.649 -8.469 154 HA PHE 22 HA PHE 22 6.817 7.811 -8.094 155 1HB PHE 22 1HB PHE 22 4.073 8.854 -9.030 156 2HB PHE 22 2HB PHE 22 4.449 7.213 -8.581 157 HD1 PHE 22 HD1 PHE 22 3.045 10.188 -7.320 158 HD2 PHE 22 HD2 PHE 22 5.631 6.970 -6.102 159 HE1 PHE 22 HE1 PHE 22 2.626 10.731 -4.959 160 HE2 PHE 22 HE2 PHE 22 5.198 7.529 -3.745 161 HZ PHE 22 HZ PHE 22 3.709 9.415 -3.168 162 H LYS 23 H LYS 23 6.275 10.053 -10.721 163 HA LYS 23 HA LYS 23 5.680 8.426 -13.004 164 1HB LYS 23 1HB LYS 23 6.541 11.126 -12.608 165 2HB LYS 23 2HB LYS 23 7.740 10.441 -13.683 166 1HG LYS 23 1HG LYS 23 5.518 9.581 -15.024 167 2HG LYS 23 2HG LYS 23 4.789 10.920 -14.153 168 1HD LYS 23 1HD LYS 23 6.495 12.516 -15.094 169 2HD LYS 23 2HD LYS 23 5.508 11.747 -16.343 170 1HE LYS 23 1HE LYS 23 8.428 11.091 -15.607 171 2HE LYS 23 2HE LYS 23 7.453 9.978 -16.578 172 1HZ LYS 23 1HZ LYS 23 8.397 12.680 -17.270 173 2HZ LYS 23 2HZ LYS 23 7.009 12.132 -17.979 174 3HZ LYS 23 3HZ LYS 23 8.421 11.297 -18.173 175 H ALA 24 H ALA 24 8.813 9.080 -11.457 176 HA ALA 24 HA ALA 24 10.579 7.833 -13.411 177 1HB ALA 24 1HB ALA 24 12.281 7.812 -11.599 178 2HB ALA 24 2HB ALA 24 11.427 9.365 -11.661 179 3HB ALA 24 3HB ALA 24 11.036 8.186 -10.383 180 H ALA 25 H ALA 25 9.369 6.563 -10.285 181 HA ALA 25 HA ALA 25 10.528 3.905 -10.410 182 1HB ALA 25 1HB ALA 25 8.908 3.305 -8.619 183 2HB ALA 25 2HB ALA 25 9.657 4.882 -8.305 184 3HB ALA 25 3HB ALA 25 7.983 4.798 -8.910 185 H PHE 26 H PHE 26 7.626 5.263 -11.828 186 HA PHE 26 HA PHE 26 6.098 2.783 -12.306 187 1HB PHE 26 1HB PHE 26 4.832 4.811 -12.371 188 2HB PHE 26 2HB PHE 26 5.892 5.586 -13.518 189 HD1 PHE 26 HD1 PHE 26 2.987 3.385 -13.084 190 HD2 PHE 26 HD2 PHE 26 5.859 4.741 -15.985 191 HE1 PHE 26 HE1 PHE 26 1.501 2.664 -14.909 192 HE2 PHE 26 HE2 PHE 26 4.356 4.021 -17.797 193 HZ PHE 26 HZ PHE 26 2.179 2.980 -17.264 194 H ASP 27 H ASP 27 8.312 4.746 -14.296 195 HA ASP 27 HA ASP 27 8.262 3.088 -16.728 196 1HB ASP 27 1HB ASP 27 9.071 5.307 -17.041 197 2HB ASP 27 2HB ASP 27 10.210 5.204 -15.719 198 H MET 28 H MET 28 10.136 3.058 -13.742 199 HA MET 28 HA MET 28 12.291 1.251 -14.407 200 1HB MET 28 1HB MET 28 11.784 2.536 -12.120 201 2HB MET 28 2HB MET 28 10.985 1.042 -11.665 202 1HG MET 28 1HG MET 28 13.118 -0.253 -12.041 203 2HG MET 28 2HG MET 28 13.939 1.239 -12.530 204 1HE MET 28 1HE MET 28 12.030 3.185 -10.439 205 2HE MET 28 2HE MET 28 13.225 3.412 -9.128 206 3HE MET 28 3HE MET 28 13.738 3.555 -10.835 207 H PHE 29 H PHE 29 8.973 0.593 -13.316 208 HA PHE 29 HA PHE 29 9.256 -2.362 -13.182 209 1HB PHE 29 1HB PHE 29 6.692 -0.657 -13.264 210 2HB PHE 29 2HB PHE 29 6.728 -2.378 -12.985 211 HD1 PHE 29 HD1 PHE 29 5.411 -0.923 -10.937 212 HD2 PHE 29 HD2 PHE 29 9.661 -1.465 -11.360 213 HE1 PHE 29 HE1 PHE 29 5.716 -0.504 -8.531 214 HE2 PHE 29 HE2 PHE 29 9.943 -1.036 -8.954 215 HZ PHE 29 HZ PHE 29 7.979 -0.548 -7.539 216 H ASP 30 H ASP 30 8.092 0.009 -15.537 217 HA ASP 30 HA ASP 30 6.920 -1.744 -17.553 218 1HB ASP 30 1HB ASP 30 6.956 0.917 -17.405 219 2HB ASP 30 2HB ASP 30 8.410 0.784 -18.366 220 H ALA 31 H ALA 31 7.830 -3.310 -18.625 221 HA ALA 31 HA ALA 31 10.857 -3.445 -19.000 222 1HB ALA 31 1HB ALA 31 10.509 -5.893 -19.357 223 2HB ALA 31 2HB ALA 31 9.843 -5.353 -17.803 224 3HB ALA 31 3HB ALA 31 8.750 -5.699 -19.168 225 H ASP 32 H ASP 32 7.775 -3.429 -20.694 226 HA ASP 32 HA ASP 32 8.949 -4.037 -23.409 227 1HB ASP 32 1HB ASP 32 6.574 -4.790 -22.596 228 2HB ASP 32 2HB ASP 32 6.823 -4.296 -24.255 229 H GLY 33 H GLY 33 7.407 -1.311 -21.698 230 1HA GLY 33 1HA GLY 33 8.351 1.021 -21.772 231 2HA GLY 33 2HA GLY 33 9.098 0.624 -23.302 232 H GLY 34 H GLY 34 5.764 -0.224 -22.584 233 1HA GLY 34 1HA GLY 34 3.758 0.372 -23.891 234 2HA GLY 34 2HA GLY 34 4.679 1.645 -24.704 235 H GLY 35 H GLY 35 2.072 1.756 -23.365 236 1HA GLY 35 1HA GLY 35 2.608 4.086 -21.429 237 2HA GLY 35 2HA GLY 35 1.205 3.990 -22.501 238 H ASP 36 H ASP 36 2.437 1.218 -20.740 239 HA ASP 36 HA ASP 36 0.679 1.455 -18.363 240 1HB ASP 36 1HB ASP 36 -0.240 -1.011 -19.729 241 2HB ASP 36 2HB ASP 36 -1.130 0.169 -18.796 242 H ILE 37 H ILE 37 0.474 -1.344 -17.881 243 HA ILE 37 HA ILE 37 3.241 -2.541 -18.169 244 HB ILE 37 HB ILE 37 2.215 -2.896 -15.410 245 1HG1 ILE 37 1HG1 ILE 37 2.808 -0.100 -16.346 246 2HG1 ILE 37 2HG1 ILE 37 1.834 -0.662 -15.001 247 1HG2 ILE 37 1HG2 ILE 37 4.613 -2.910 -14.839 248 2HG2 ILE 37 2HG2 ILE 37 4.329 -3.933 -16.255 249 3HG2 ILE 37 3HG2 ILE 37 5.050 -2.318 -16.461 250 1HD1 ILE 37 1HD1 ILE 37 4.904 -0.443 -14.955 251 2HD1 ILE 37 2HD1 ILE 37 3.730 0.586 -14.107 252 3HD1 ILE 37 3HD1 ILE 37 3.915 -1.118 -13.633 253 H SER 38 H SER 38 3.101 -4.784 -16.851 254 HA SER 38 HA SER 38 0.412 -6.147 -17.237 255 1HB SER 38 1HB SER 38 1.999 -6.186 -19.408 256 2HB SER 38 2HB SER 38 0.964 -7.545 -18.963 257 HG SER 38 HG SER 38 3.131 -8.109 -19.418 258 H THR 39 H THR 39 1.225 -8.730 -16.957 259 HA THR 39 HA THR 39 2.040 -8.872 -14.060 260 HB THR 39 HB THR 39 1.674 -11.503 -14.714 261 HG1 THR 39 HG1 THR 39 0.070 -11.677 -16.156 262 1HG2 THR 39 1HG2 THR 39 -0.597 -11.365 -13.792 263 2HG2 THR 39 2HG2 THR 39 0.459 -10.272 -12.868 264 3HG2 THR 39 3HG2 THR 39 -0.674 -9.611 -14.077 265 H LYS 40 H LYS 40 3.193 -9.933 -17.248 266 HA LYS 40 HA LYS 40 5.524 -11.484 -16.328 267 1HB LYS 40 1HB LYS 40 5.391 -10.153 -19.060 268 2HB LYS 40 2HB LYS 40 4.267 -11.436 -18.698 269 1HG LYS 40 1HG LYS 40 5.928 -13.036 -18.958 270 2HG LYS 40 2HG LYS 40 7.088 -12.143 -18.010 271 1HD LYS 40 1HD LYS 40 8.029 -11.033 -19.913 272 2HD LYS 40 2HD LYS 40 7.695 -12.663 -20.419 273 1HE LYS 40 1HE LYS 40 6.035 -12.133 -21.921 274 2HE LYS 40 2HE LYS 40 5.483 -10.705 -21.056 275 1HZ LYS 40 1HZ LYS 40 7.773 -10.985 -22.904 276 2HZ LYS 40 2HZ LYS 40 7.793 -9.765 -21.791 277 3HZ LYS 40 3HZ LYS 40 6.571 -9.852 -22.900 278 H GLU 41 H GLU 41 4.870 -8.110 -17.112 279 HA GLU 41 HA GLU 41 7.658 -7.154 -17.281 280 1HB GLU 41 1HB GLU 41 6.854 -5.036 -17.668 281 2HB GLU 41 2HB GLU 41 5.508 -5.189 -16.559 282 1HG GLU 41 1HG GLU 41 5.510 -6.746 -19.206 283 2HG GLU 41 2HG GLU 41 4.153 -6.381 -18.162 284 H LEU 42 H LEU 42 5.164 -7.068 -14.733 285 HA LEU 42 HA LEU 42 6.740 -5.546 -12.751 286 1HB LEU 42 1HB LEU 42 4.364 -7.411 -12.180 287 2HB LEU 42 2HB LEU 42 4.174 -5.794 -12.821 288 HG LEU 42 HG LEU 42 5.785 -6.022 -10.263 289 1HD1 LEU 42 1HD1 LEU 42 2.715 -6.295 -10.198 290 2HD1 LEU 42 2HD1 LEU 42 3.828 -7.650 -9.953 291 3HD1 LEU 42 3HD1 LEU 42 3.828 -6.287 -8.806 292 1HD2 LEU 42 1HD2 LEU 42 4.681 -3.886 -9.698 293 2HD2 LEU 42 2HD2 LEU 42 5.265 -3.777 -11.378 294 3HD2 LEU 42 3HD2 LEU 42 3.543 -4.054 -11.060 295 H GLY 43 H GLY 43 6.225 -8.969 -13.452 296 1HA GLY 43 1HA GLY 43 7.149 -10.298 -11.083 297 2HA GLY 43 2HA GLY 43 7.345 -10.969 -12.705 298 H THR 44 H THR 44 8.975 -8.689 -13.629 299 HA THR 44 HA THR 44 11.616 -9.886 -13.003 300 HB THR 44 HB THR 44 10.700 -7.703 -14.888 301 HG1 THR 44 HG1 THR 44 10.661 -9.808 -15.542 302 1HG2 THR 44 1HG2 THR 44 13.048 -7.303 -15.651 303 2HG2 THR 44 2HG2 THR 44 12.799 -6.703 -13.998 304 3HG2 THR 44 3HG2 THR 44 13.671 -8.234 -14.266 305 H VAL 45 H VAL 45 10.092 -6.716 -12.430 306 HA VAL 45 HA VAL 45 12.336 -5.364 -11.164 307 HB VAL 45 HB VAL 45 9.721 -4.618 -11.849 308 1HG1 VAL 45 1HG1 VAL 45 11.717 -2.850 -10.301 309 2HG1 VAL 45 2HG1 VAL 45 11.903 -3.256 -12.011 310 3HG1 VAL 45 3HG1 VAL 45 10.483 -2.328 -11.477 311 1HG2 VAL 45 1HG2 VAL 45 8.679 -3.527 -9.930 312 2HG2 VAL 45 2HG2 VAL 45 8.952 -5.220 -9.455 313 3HG2 VAL 45 3HG2 VAL 45 10.034 -3.956 -8.853 314 H MET 46 H MET 46 9.716 -7.389 -9.876 315 HA MET 46 HA MET 46 10.037 -6.998 -7.033 316 1HB MET 46 1HB MET 46 9.085 -9.477 -8.571 317 2HB MET 46 2HB MET 46 9.155 -9.431 -6.819 318 1HG MET 46 1HG MET 46 7.197 -8.098 -8.666 319 2HG MET 46 2HG MET 46 7.720 -7.090 -7.306 320 1HE MET 46 1HE MET 46 5.398 -6.985 -6.081 321 2HE MET 46 2HE MET 46 5.222 -8.160 -4.745 322 3HE MET 46 3HE MET 46 6.746 -7.244 -4.929 323 NH1 ARG 47 NH1 ARG 47 18.081 -12.349 -10.593 324 NH2 ARG 47 NH2 ARG 47 18.405 -14.313 -9.497 325 H ARG 47 H ARG 47 11.773 -9.065 -9.314 326 HA ARG 47 HA ARG 47 13.322 -10.658 -7.378 327 1HB ARG 47 1HB ARG 47 14.540 -10.205 -10.092 328 2HB ARG 47 2HB ARG 47 12.893 -10.821 -10.096 329 1HG ARG 47 1HG ARG 47 13.452 -12.851 -9.004 330 2HG ARG 47 2HG ARG 47 14.909 -12.187 -8.265 331 1HD ARG 47 1HD ARG 47 14.533 -13.267 -11.091 332 2HD ARG 47 2HD ARG 47 15.642 -11.918 -10.899 333 HE ARG 47 HE ARG 47 16.020 -14.521 -9.360 334 1HH1 ARG 47 1HH1 ARG 47 17.412 -11.668 -10.968 335 2HH1 ARG 47 2HH1 ARG 47 19.105 -12.292 -10.634 336 1HH2 ARG 47 1HH2 ARG 47 17.988 -15.130 -9.036 337 2HH2 ARG 47 2HH2 ARG 47 19.406 -14.119 -9.614 338 H MET 48 H MET 48 13.913 -7.649 -9.149 339 HA MET 48 HA MET 48 16.725 -7.241 -8.756 340 1HB MET 48 1HB MET 48 15.787 -4.627 -8.467 341 2HB MET 48 2HB MET 48 14.434 -5.393 -9.278 342 1HG MET 48 1HG MET 48 16.758 -6.290 -10.727 343 2HG MET 48 2HG MET 48 15.513 -5.149 -11.264 344 1HE MET 48 1HE MET 48 15.586 -2.472 -9.940 345 2HE MET 48 2HE MET 48 16.971 -1.638 -10.702 346 3HE MET 48 3HE MET 48 15.887 -2.653 -11.696 347 H LEU 49 H LEU 49 14.027 -6.762 -6.535 348 HA LEU 49 HA LEU 49 15.884 -6.585 -4.138 349 1HB LEU 49 1HB LEU 49 15.772 -4.237 -4.779 350 2HB LEU 49 2HB LEU 49 14.898 -4.488 -3.284 351 HG LEU 49 HG LEU 49 12.831 -4.701 -5.180 352 1HD1 LEU 49 1HD1 LEU 49 12.118 -2.462 -4.337 353 2HD1 LEU 49 2HD1 LEU 49 12.719 -3.469 -3.007 354 3HD1 LEU 49 3HD1 LEU 49 13.741 -2.168 -3.665 355 1HD2 LEU 49 1HD2 LEU 49 14.738 -2.466 -6.148 356 2HD2 LEU 49 2HD2 LEU 49 14.276 -3.920 -7.066 357 3HD2 LEU 49 3HD2 LEU 49 13.055 -2.698 -6.684 358 H GLY 50 H GLY 50 14.579 -8.728 -4.427 359 1HA GLY 50 1HA GLY 50 12.838 -8.949 -2.081 360 2HA GLY 50 2HA GLY 50 11.797 -8.929 -3.512 361 H GLN 51 H GLN 51 11.708 -10.633 -4.864 362 HA GLN 51 HA GLN 51 13.498 -13.054 -4.664 363 1HB GLN 51 1HB GLN 51 11.978 -14.609 -3.717 364 2HB GLN 51 2HB GLN 51 11.991 -13.228 -2.637 365 1HG GLN 51 1HG GLN 51 9.775 -13.990 -4.623 366 2HG GLN 51 2HG GLN 51 9.814 -12.421 -3.850 367 1HE2 GLN 51 1HE2 GLN 51 8.749 -15.751 -1.615 368 2HE2 GLN 51 2HE2 GLN 51 9.607 -15.922 -3.228 369 H ASN 52 H ASN 52 12.073 -14.898 -5.894 370 HA ASN 52 HA ASN 52 11.020 -13.605 -8.451 371 1HB ASN 52 1HB ASN 52 13.380 -14.695 -8.553 372 2HB ASN 52 2HB ASN 52 12.599 -16.253 -8.393 373 1HD2 ASN 52 1HD2 ASN 52 13.085 -15.455 -12.069 374 2HD2 ASN 52 2HD2 ASN 52 14.129 -15.716 -10.583 375 HA PRO 53 HA PRO 53 7.445 -16.289 -6.645 376 1HB PRO 53 1HB PRO 53 5.921 -14.501 -8.556 377 2HB PRO 53 2HB PRO 53 5.614 -14.942 -6.870 378 1HG PRO 53 1HG PRO 53 6.607 -12.471 -7.580 379 2HG PRO 53 2HG PRO 53 6.908 -13.191 -5.982 380 1HD PRO 53 1HD PRO 53 9.204 -13.061 -6.641 381 2HD PRO 53 2HD PRO 53 8.805 -12.935 -8.378 382 H THR 54 H THR 54 5.790 -17.507 -7.982 383 HA THR 54 HA THR 54 7.101 -18.782 -10.379 384 HB THR 54 HB THR 54 5.946 -20.052 -8.395 385 HG1 THR 54 HG1 THR 54 6.792 -21.129 -10.052 386 1HG2 THR 54 1HG2 THR 54 3.625 -20.797 -8.812 387 2HG2 THR 54 2HG2 THR 54 3.654 -19.037 -8.557 388 3HG2 THR 54 3HG2 THR 54 3.474 -19.697 -10.203 389 H LYS 55 H LYS 55 5.826 -19.224 -12.310 390 HA LYS 55 HA LYS 55 5.054 -16.845 -13.675 391 1HB LYS 55 1HB LYS 55 3.857 -18.461 -15.360 392 2HB LYS 55 2HB LYS 55 4.333 -19.771 -14.300 393 1HG LYS 55 1HG LYS 55 5.822 -19.352 -16.318 394 2HG LYS 55 2HG LYS 55 6.343 -17.838 -15.601 395 1HD LYS 55 1HD LYS 55 6.650 -20.469 -14.021 396 2HD LYS 55 2HD LYS 55 7.780 -20.073 -15.305 397 1HE LYS 55 1HE LYS 55 7.405 -17.779 -13.459 398 2HE LYS 55 2HE LYS 55 7.955 -19.216 -12.602 399 1HZ LYS 55 1HZ LYS 55 9.648 -19.266 -14.642 400 2HZ LYS 55 2HZ LYS 55 9.939 -18.348 -13.299 401 3HZ LYS 55 3HZ LYS 55 9.330 -17.645 -14.665 402 H GLU 56 H GLU 56 2.966 -19.313 -12.167 403 HA GLU 56 HA GLU 56 0.391 -17.960 -12.755 404 1HB GLU 56 1HB GLU 56 0.386 -19.860 -10.463 405 2HB GLU 56 2HB GLU 56 1.114 -20.526 -11.911 406 1HG GLU 56 1HG GLU 56 -1.181 -19.461 -13.030 407 2HG GLU 56 2HG GLU 56 -1.040 -21.110 -12.445 408 H GLU 57 H GLU 57 2.724 -18.013 -10.115 409 HA GLU 57 HA GLU 57 1.321 -16.742 -7.961 410 1HB GLU 57 1HB GLU 57 4.198 -15.943 -8.470 411 2HB GLU 57 2HB GLU 57 3.821 -17.620 -8.142 412 1HG GLU 57 1HG GLU 57 4.518 -16.001 -6.152 413 2HG GLU 57 2HG GLU 57 2.859 -15.420 -6.209 414 H LEU 58 H LEU 58 2.791 -15.346 -10.858 415 HA LEU 58 HA LEU 58 2.518 -12.516 -10.063 416 1HB LEU 58 1HB LEU 58 3.529 -14.047 -12.410 417 2HB LEU 58 2HB LEU 58 2.764 -12.538 -12.865 418 HG LEU 58 HG LEU 58 5.134 -12.116 -12.591 419 1HD1 LEU 58 1HD1 LEU 58 5.043 -13.165 -9.685 420 2HD1 LEU 58 2HD1 LEU 58 5.642 -14.125 -11.046 421 3HD1 LEU 58 3HD1 LEU 58 6.478 -12.620 -10.590 422 1HD2 LEU 58 1HD2 LEU 58 5.161 -10.293 -10.929 423 2HD2 LEU 58 2HD2 LEU 58 3.550 -10.341 -11.687 424 3HD2 LEU 58 3HD2 LEU 58 3.778 -11.000 -10.056 425 H ASP 59 H ASP 59 0.641 -14.813 -11.989 426 HA ASP 59 HA ASP 59 -1.300 -12.982 -13.172 427 1HB ASP 59 1HB ASP 59 -1.880 -15.931 -12.559 428 2HB ASP 59 2HB ASP 59 -2.667 -14.912 -13.742 429 H ALA 60 H ALA 60 -1.121 -14.637 -10.073 430 HA ALA 60 HA ALA 60 -3.915 -14.121 -9.210 431 1HB ALA 60 1HB ALA 60 -3.168 -15.010 -7.007 432 2HB ALA 60 2HB ALA 60 -2.653 -16.063 -8.340 433 3HB ALA 60 3HB ALA 60 -1.470 -14.995 -7.541 434 H ILE 61 H ILE 61 -0.740 -12.659 -8.567 435 HA ILE 61 HA ILE 61 -1.396 -10.784 -6.467 436 HB ILE 61 HB ILE 61 0.817 -11.007 -8.453 437 1HG1 ILE 61 1HG1 ILE 61 1.725 -11.780 -6.503 438 2HG1 ILE 61 2HG1 ILE 61 0.433 -11.112 -5.528 439 1HG2 ILE 61 1HG2 ILE 61 1.764 -8.721 -8.025 440 2HG2 ILE 61 2HG2 ILE 61 0.224 -8.605 -8.874 441 3HG2 ILE 61 3HG2 ILE 61 0.294 -8.260 -7.131 442 1HD1 ILE 61 1HD1 ILE 61 1.546 -8.902 -5.352 443 2HD1 ILE 61 2HD1 ILE 61 2.646 -10.203 -4.846 444 3HD1 ILE 61 3HD1 ILE 61 2.850 -9.447 -6.444 445 H ILE 62 H ILE 62 -1.799 -10.647 -9.975 446 HA ILE 62 HA ILE 62 -2.802 -7.826 -10.033 447 HB ILE 62 HB ILE 62 -2.292 -9.943 -12.122 448 1HG1 ILE 62 1HG1 ILE 62 -1.448 -7.024 -11.672 449 2HG1 ILE 62 2HG1 ILE 62 -0.437 -8.451 -11.748 450 1HG2 ILE 62 1HG2 ILE 62 -3.444 -8.628 -13.924 451 2HG2 ILE 62 2HG2 ILE 62 -4.617 -9.198 -12.738 452 3HG2 ILE 62 3HG2 ILE 62 -4.095 -7.498 -12.711 453 1HD1 ILE 62 1HD1 ILE 62 -1.825 -7.184 -14.184 454 2HD1 ILE 62 2HD1 ILE 62 -0.094 -7.171 -13.788 455 3HD1 ILE 62 3HD1 ILE 62 -0.887 -8.703 -14.221 456 H GLU 63 H GLU 63 -4.101 -11.120 -10.161 457 HA GLU 63 HA GLU 63 -6.858 -10.767 -10.695 458 1HB GLU 63 1HB GLU 63 -5.546 -12.943 -10.109 459 2HB GLU 63 2HB GLU 63 -5.962 -12.621 -8.437 460 1HG GLU 63 1HG GLU 63 -8.151 -12.755 -10.593 461 2HG GLU 63 2HG GLU 63 -7.484 -14.223 -9.899 462 H GLU 64 H GLU 64 -5.055 -9.940 -7.789 463 HA GLU 64 HA GLU 64 -7.390 -9.320 -6.067 464 1HB GLU 64 1HB GLU 64 -4.392 -9.027 -5.791 465 2HB GLU 64 2HB GLU 64 -5.401 -8.053 -4.739 466 1HG GLU 64 1HG GLU 64 -5.657 -11.123 -4.967 467 2HG GLU 64 2HG GLU 64 -4.615 -10.322 -3.803 468 H VAL 65 H VAL 65 -4.959 -7.363 -7.812 469 HA VAL 65 HA VAL 65 -6.729 -4.876 -7.526 470 HB VAL 65 HB VAL 65 -4.747 -4.421 -6.339 471 1HG1 VAL 65 1HG1 VAL 65 -2.412 -4.736 -7.181 472 2HG1 VAL 65 2HG1 VAL 65 -3.282 -6.280 -7.143 473 3HG1 VAL 65 3HG1 VAL 65 -3.023 -5.448 -8.695 474 1HG2 VAL 65 1HG2 VAL 65 -4.341 -3.110 -9.116 475 2HG2 VAL 65 2HG2 VAL 65 -5.367 -2.491 -7.800 476 3HG2 VAL 65 3HG2 VAL 65 -3.612 -2.559 -7.588 477 H ASP 66 H ASP 66 -7.920 -5.718 -9.357 478 HA ASP 66 HA ASP 66 -7.255 -4.458 -11.896 479 1HB ASP 66 1HB ASP 66 -7.058 -7.427 -12.414 480 2HB ASP 66 2HB ASP 66 -5.652 -6.664 -11.707 481 H GLU 67 H GLU 67 -9.374 -4.702 -10.072 482 HA GLU 67 HA GLU 67 -11.519 -6.472 -11.229 483 1HB GLU 67 1HB GLU 67 -12.874 -5.877 -9.362 484 2HB GLU 67 2HB GLU 67 -11.256 -6.174 -8.755 485 1HG GLU 67 1HG GLU 67 -11.981 -3.281 -9.380 486 2HG GLU 67 2HG GLU 67 -10.906 -3.913 -8.145 487 H ASP 68 H ASP 68 -10.318 -4.247 -12.827 488 HA ASP 68 HA ASP 68 -12.646 -2.295 -13.137 489 1HB ASP 68 1HB ASP 68 -10.287 -1.669 -14.807 490 2HB ASP 68 2HB ASP 68 -11.227 -0.649 -13.742 491 H GLY 69 H GLY 69 -10.411 -4.361 -15.019 492 1HA GLY 69 1HA GLY 69 -12.391 -4.404 -17.369 493 2HA GLY 69 2HA GLY 69 -11.797 -5.929 -16.703 494 H SER 70 H SER 70 -9.946 -2.936 -17.056 495 HA SER 70 HA SER 70 -8.702 -3.166 -19.585 496 1HB SER 70 1HB SER 70 -8.348 -1.183 -18.268 497 2HB SER 70 2HB SER 70 -6.762 -1.870 -18.627 498 HG SER 70 HG SER 70 -6.874 -1.321 -16.491 499 H GLY 71 H GLY 71 -7.581 -4.618 -16.512 500 1HA GLY 71 1HA GLY 71 -6.360 -6.710 -16.127 501 2HA GLY 71 2HA GLY 71 -6.383 -6.995 -17.873 502 H THR 72 H THR 72 -5.265 -3.989 -16.456 503 HA THR 72 HA THR 72 -2.358 -4.716 -16.533 504 HB THR 72 HB THR 72 -1.670 -2.873 -18.078 505 HG1 THR 72 HG1 THR 72 -4.450 -2.764 -18.473 506 1HG2 THR 72 1HG2 THR 72 -2.104 -3.989 -20.229 507 2HG2 THR 72 2HG2 THR 72 -1.733 -5.225 -19.006 508 3HG2 THR 72 3HG2 THR 72 -3.416 -4.967 -19.535 509 H ILE 73 H ILE 73 -1.062 -3.153 -15.493 510 HA ILE 73 HA ILE 73 -2.571 -1.355 -13.553 511 HB ILE 73 HB ILE 73 0.311 -2.382 -13.464 512 1HG1 ILE 73 1HG1 ILE 73 -0.353 -4.046 -12.007 513 2HG1 ILE 73 2HG1 ILE 73 -1.873 -3.884 -12.860 514 1HG2 ILE 73 1HG2 ILE 73 0.548 -1.290 -11.237 515 2HG2 ILE 73 2HG2 ILE 73 0.161 -0.067 -12.455 516 3HG2 ILE 73 3HG2 ILE 73 -1.100 -0.628 -11.332 517 1HD1 ILE 73 1HD1 ILE 73 -2.860 -2.474 -11.074 518 2HD1 ILE 73 2HD1 ILE 73 -2.230 -3.994 -10.405 519 3HD1 ILE 73 3HD1 ILE 73 -1.315 -2.484 -10.181 520 H ASP 74 H ASP 74 -3.073 0.255 -15.039 521 HA ASP 74 HA ASP 74 -1.083 1.698 -16.684 522 1HB ASP 74 1HB ASP 74 -3.699 3.028 -15.883 523 2HB ASP 74 2HB ASP 74 -2.789 3.164 -17.370 524 H PHE 75 H PHE 75 -1.088 4.240 -16.328 525 HA PHE 75 HA PHE 75 0.515 4.799 -13.936 526 1HB PHE 75 1HB PHE 75 0.641 6.005 -16.223 527 2HB PHE 75 2HB PHE 75 -0.783 6.901 -15.768 528 HD1 PHE 75 HD1 PHE 75 -0.680 8.641 -13.958 529 HD2 PHE 75 HD2 PHE 75 2.844 6.452 -15.104 530 HE1 PHE 75 HE1 PHE 75 0.733 10.280 -12.785 531 HE2 PHE 75 HE2 PHE 75 4.239 8.100 -13.920 532 HZ PHE 75 HZ PHE 75 3.190 10.014 -12.764 533 H GLU 76 H GLU 76 -2.858 5.349 -14.839 534 HA GLU 76 HA GLU 76 -3.600 7.072 -12.557 535 1HB GLU 76 1HB GLU 76 -5.771 5.530 -13.940 536 2HB GLU 76 2HB GLU 76 -5.709 7.202 -13.422 537 1HG GLU 76 1HG GLU 76 -3.953 7.494 -15.430 538 2HG GLU 76 2HG GLU 76 -4.617 5.975 -15.992 539 H GLU 77 H GLU 77 -3.594 3.616 -13.179 540 HA GLU 77 HA GLU 77 -5.184 2.857 -10.753 541 1HB GLU 77 1HB GLU 77 -5.341 1.475 -12.772 542 2HB GLU 77 2HB GLU 77 -3.628 1.129 -12.734 543 1HG GLU 77 1HG GLU 77 -5.138 0.357 -10.230 544 2HG GLU 77 2HG GLU 77 -3.822 -0.485 -11.042 545 H PHE 78 H PHE 78 -1.815 3.225 -11.633 546 HA PHE 78 HA PHE 78 -0.538 1.729 -9.490 547 1HB PHE 78 1HB PHE 78 0.697 2.554 -11.494 548 2HB PHE 78 2HB PHE 78 0.490 4.215 -11.003 549 HD1 PHE 78 HD1 PHE 78 1.158 1.756 -8.298 550 HD2 PHE 78 HD2 PHE 78 3.025 4.405 -11.128 551 HE1 PHE 78 HE1 PHE 78 3.312 1.498 -7.135 552 HE2 PHE 78 HE2 PHE 78 5.172 4.127 -9.957 553 HZ PHE 78 HZ PHE 78 5.322 2.671 -7.966 554 H LEU 79 H LEU 79 -0.717 5.292 -9.698 555 HA LEU 79 HA LEU 79 -0.049 5.901 -6.973 556 1HB LEU 79 1HB LEU 79 -1.918 7.935 -7.765 557 2HB LEU 79 2HB LEU 79 -0.172 8.017 -7.689 558 HG LEU 79 HG LEU 79 -1.599 6.921 -10.182 559 1HD1 LEU 79 1HD1 LEU 79 -1.464 9.206 -11.177 560 2HD1 LEU 79 2HD1 LEU 79 -2.505 9.211 -9.742 561 3HD1 LEU 79 3HD1 LEU 79 -0.853 9.870 -9.640 562 1HD2 LEU 79 1HD2 LEU 79 1.214 8.154 -9.804 563 2HD2 LEU 79 2HD2 LEU 79 0.852 6.434 -10.093 564 3HD2 LEU 79 3HD2 LEU 79 0.512 7.627 -11.355 565 H VAL 80 H VAL 80 -3.120 4.961 -8.398 566 HA VAL 80 HA VAL 80 -4.950 5.624 -6.246 567 HB VAL 80 HB VAL 80 -5.086 3.566 -8.470 568 1HG1 VAL 80 1HG1 VAL 80 -6.981 5.916 -7.847 569 2HG1 VAL 80 2HG1 VAL 80 -5.557 6.074 -8.884 570 3HG1 VAL 80 3HG1 VAL 80 -6.869 4.969 -9.354 571 1HG2 VAL 80 1HG2 VAL 80 -7.347 2.848 -7.846 572 2HG2 VAL 80 2HG2 VAL 80 -6.292 2.514 -6.453 573 3HG2 VAL 80 3HG2 VAL 80 -7.369 3.919 -6.424 574 H MET 81 H MET 81 -3.208 2.574 -6.938 575 HA MET 81 HA MET 81 -3.931 0.914 -4.754 576 1HB MET 81 1HB MET 81 -0.980 0.910 -5.396 577 2HB MET 81 2HB MET 81 -2.069 0.668 -6.749 578 1HG MET 81 1HG MET 81 -3.204 -1.227 -5.312 579 2HG MET 81 2HG MET 81 -1.788 -1.098 -4.256 580 1HE MET 81 1HE MET 81 -1.871 -3.818 -5.079 581 2HE MET 81 2HE MET 81 -0.415 -4.188 -6.051 582 3HE MET 81 3HE MET 81 -0.270 -3.187 -4.578 583 H MET 82 H MET 82 -1.114 3.125 -4.778 584 HA MET 82 HA MET 82 -0.339 2.734 -1.995 585 1HB MET 82 1HB MET 82 0.966 3.846 -4.018 586 2HB MET 82 2HB MET 82 1.343 4.259 -2.356 587 1HG MET 82 1HG MET 82 -0.406 6.271 -2.741 588 2HG MET 82 2HG MET 82 -0.128 5.925 -4.453 589 1HE MET 82 1HE MET 82 2.736 7.076 -1.138 590 2HE MET 82 2HE MET 82 0.949 7.038 -1.167 591 3HE MET 82 3HE MET 82 1.817 8.503 -1.712 592 H VAL 83 H VAL 83 -2.636 4.902 -3.542 593 HA VAL 83 HA VAL 83 -2.938 6.904 -1.418 594 HB VAL 83 HB VAL 83 -3.861 6.729 -4.014 595 1HG1 VAL 83 1HG1 VAL 83 -6.354 6.928 -3.980 596 2HG1 VAL 83 2HG1 VAL 83 -5.850 5.324 -3.432 597 3HG1 VAL 83 3HG1 VAL 83 -6.384 6.533 -2.242 598 1HG2 VAL 83 1HG2 VAL 83 -4.887 8.707 -1.871 599 2HG2 VAL 83 2HG2 VAL 83 -3.392 8.885 -2.818 600 3HG2 VAL 83 3HG2 VAL 83 -4.960 8.946 -3.636 601 NH1 ARG 84 NH1 ARG 84 -6.048 -1.403 -1.330 602 NH2 ARG 84 NH2 ARG 84 -7.342 -2.812 -2.555 603 H ARG 84 H ARG 84 -4.493 3.809 -2.142 604 HA ARG 84 HA ARG 84 -6.827 3.842 -0.434 605 1HB ARG 84 1HB ARG 84 -5.045 1.598 -1.473 606 2HB ARG 84 2HB ARG 84 -6.213 1.235 -0.211 607 1HG ARG 84 1HG ARG 84 -7.312 2.803 -2.544 608 2HG ARG 84 2HG ARG 84 -8.077 1.539 -1.577 609 1HD ARG 84 1HD ARG 84 -7.134 1.163 -4.157 610 2HD ARG 84 2HD ARG 84 -5.722 0.615 -3.251 611 HE ARG 84 HE ARG 84 -8.481 -0.661 -3.199 612 1HH1 ARG 84 1HH1 ARG 84 -8.067 -2.919 -3.272 613 2HH1 ARG 84 2HH1 ARG 84 -6.888 -3.561 -2.021 614 1HH2 ARG 84 1HH2 ARG 84 -5.713 -0.445 -1.180 615 2HH2 ARG 84 2HH2 ARG 84 -5.754 -2.244 -0.821 616 H GLN 85 H GLN 85 -3.436 3.044 0.291 617 HA GLN 85 HA GLN 85 -3.962 2.287 3.143 618 1HB GLN 85 1HB GLN 85 -2.066 1.419 1.485 619 2HB GLN 85 2HB GLN 85 -1.824 1.494 3.221 620 1HG GLN 85 1HG GLN 85 -0.023 2.461 1.433 621 2HG GLN 85 2HG GLN 85 -0.975 3.920 1.587 622 1HE2 GLN 85 1HE2 GLN 85 1.695 4.170 4.197 623 2HE2 GLN 85 2HE2 GLN 85 1.486 4.263 2.377 624 H MET 86 H MET 86 -2.722 5.052 1.329 625 HA MET 86 HA MET 86 -1.531 6.672 3.379 626 1HB MET 86 1HB MET 86 -2.965 8.472 1.608 627 2HB MET 86 2HB MET 86 -2.412 7.113 0.647 628 1HG MET 86 1HG MET 86 -0.235 8.053 2.431 629 2HG MET 86 2HG MET 86 -0.242 7.831 0.673 630 1HE MET 86 1HE MET 86 -2.950 9.670 -0.028 631 2HE MET 86 2HE MET 86 -2.158 11.212 -0.467 632 3HE MET 86 3HE MET 86 -1.488 9.665 -1.063 633 H LYS 87 H LYS 87 -4.912 6.111 2.585 634 HA LYS 87 HA LYS 87 -6.358 8.184 3.885 635 1HB LYS 87 1HB LYS 87 -8.020 6.220 4.628 636 2HB LYS 87 2HB LYS 87 -6.967 5.204 3.655 637 1HG LYS 87 1HG LYS 87 -7.536 6.233 1.617 638 2HG LYS 87 2HG LYS 87 -8.023 7.749 2.357 639 1HD LYS 87 1HD LYS 87 -10.127 6.725 3.194 640 2HD LYS 87 2HD LYS 87 -9.955 6.520 1.454 641 1HE LYS 87 1HE LYS 87 -8.854 4.195 3.022 642 2HE LYS 87 2HE LYS 87 -10.590 4.450 3.249 643 1HZ LYS 87 1HZ LYS 87 -9.553 3.119 1.189 644 2HZ LYS 87 2HZ LYS 87 -9.671 4.610 0.488 645 3HZ LYS 87 3HZ LYS 87 -11.016 3.884 1.116 646 H GLU 88 H GLU 88 -6.678 8.847 5.890 647 HA GLU 88 HA GLU 88 -5.644 7.196 8.250 648 1HB GLU 88 1HB GLU 88 -3.991 8.999 7.557 649 2HB GLU 88 2HB GLU 88 -5.184 10.215 7.971 650 1HG GLU 88 1HG GLU 88 -5.166 9.448 10.372 651 2HG GLU 88 2HG GLU 88 -4.053 8.151 9.971 652 H ASP 89 H ASP 89 -8.236 7.212 7.315 653 HA ASP 89 HA ASP 89 -9.759 8.509 9.591 654 1HB ASP 89 1HB ASP 89 -11.446 9.592 8.289 655 2HB ASP 89 2HB ASP 89 -9.900 10.167 7.710 656 H ALA 90 H ALA 90 -9.016 5.937 9.424 657 HA ALA 90 HA ALA 90 -9.808 3.660 9.520 658 1HB ALA 90 1HB ALA 90 -12.231 3.335 10.079 659 2HB ALA 90 2HB ALA 90 -11.524 4.623 11.075 660 3HB ALA 90 3HB ALA 90 -12.578 5.041 9.702 Start of MODEL 25 Raw file had 660 H/Q atoms Start of MODEL 25 1 1H ALA 1 1H ALA 1 -15.928 1.168 -17.230 2 2H ALA 1 2H ALA 1 -16.222 1.004 -15.582 3 3H ALA 1 3H ALA 1 -15.340 -0.171 -16.400 4 HA ALA 1 HA ALA 1 -17.138 -0.985 -17.552 5 1HB ALA 1 1HB ALA 1 -17.048 -1.023 -14.743 6 2HB ALA 1 2HB ALA 1 -18.075 -2.060 -15.752 7 3HB ALA 1 3HB ALA 1 -18.737 -0.557 -15.058 8 H SER 2 H SER 2 -17.933 2.007 -15.791 9 HA SER 2 HA SER 2 -19.610 3.049 -18.051 10 1HB SER 2 1HB SER 2 -21.709 3.334 -16.774 11 2HB SER 2 2HB SER 2 -21.291 1.630 -16.967 12 HG SER 2 HG SER 2 -21.846 1.940 -14.886 13 H MET 3 H MET 3 -18.743 3.378 -14.605 14 HA MET 3 HA MET 3 -18.588 6.414 -14.852 15 1HB MET 3 1HB MET 3 -18.276 4.953 -12.203 16 2HB MET 3 2HB MET 3 -18.865 6.576 -12.514 17 1HG MET 3 1HG MET 3 -20.612 4.501 -13.771 18 2HG MET 3 2HG MET 3 -20.435 4.283 -12.025 19 1HE MET 3 1HE MET 3 -23.431 6.321 -11.073 20 2HE MET 3 2HE MET 3 -22.274 5.006 -10.709 21 3HE MET 3 3HE MET 3 -23.352 4.875 -12.129 22 H THR 4 H THR 4 -16.771 7.291 -13.333 23 HA THR 4 HA THR 4 -14.161 5.806 -13.778 24 HB THR 4 HB THR 4 -13.114 8.028 -14.561 25 HG1 THR 4 HG1 THR 4 -14.488 9.389 -15.569 26 1HG2 THR 4 1HG2 THR 4 -13.215 6.184 -16.183 27 2HG2 THR 4 2HG2 THR 4 -13.737 7.677 -16.995 28 3HG2 THR 4 3HG2 THR 4 -14.942 6.464 -16.493 29 H ASP 5 H ASP 5 -15.190 5.780 -11.391 30 HA ASP 5 HA ASP 5 -14.684 8.185 -9.696 31 1HB ASP 5 1HB ASP 5 -15.816 7.147 -8.003 32 2HB ASP 5 2HB ASP 5 -16.474 6.244 -9.348 33 H GLN 6 H GLN 6 -13.046 5.194 -10.521 34 HA GLN 6 HA GLN 6 -11.014 4.887 -8.548 35 1HB GLN 6 1HB GLN 6 -11.216 4.196 -11.459 36 2HB GLN 6 2HB GLN 6 -9.575 4.338 -10.857 37 1HG GLN 6 1HG GLN 6 -11.758 2.426 -9.858 38 2HG GLN 6 2HG GLN 6 -10.315 2.720 -8.914 39 1HE2 GLN 6 1HE2 GLN 6 -8.658 0.126 -10.721 40 2HE2 GLN 6 2HE2 GLN 6 -9.116 0.901 -9.122 41 H GLN 7 H GLN 7 -10.135 6.343 -11.664 42 HA GLN 7 HA GLN 7 -7.794 7.789 -10.598 43 1HB GLN 7 1HB GLN 7 -7.256 8.232 -12.778 44 2HB GLN 7 2HB GLN 7 -8.839 8.910 -13.128 45 1HG GLN 7 1HG GLN 7 -7.859 6.529 -14.183 46 2HG GLN 7 2HG GLN 7 -8.865 5.913 -12.881 47 1HE2 GLN 7 1HE2 GLN 7 -11.466 6.176 -15.404 48 2HE2 GLN 7 2HE2 GLN 7 -10.320 5.069 -14.494 49 H ALA 8 H ALA 8 -11.176 8.608 -11.056 50 HA ALA 8 HA ALA 8 -11.224 11.459 -11.090 51 1HB ALA 8 1HB ALA 8 -13.484 11.308 -10.055 52 2HB ALA 8 2HB ALA 8 -13.266 10.075 -11.311 53 3HB ALA 8 3HB ALA 8 -13.195 9.614 -9.591 54 H GLU 9 H GLU 9 -11.030 9.302 -8.251 55 HA GLU 9 HA GLU 9 -10.853 11.575 -6.292 56 1HB GLU 9 1HB GLU 9 -11.204 10.063 -4.570 57 2HB GLU 9 2HB GLU 9 -12.056 9.286 -5.897 58 1HG GLU 9 1HG GLU 9 -10.094 7.734 -6.298 59 2HG GLU 9 2HG GLU 9 -9.225 8.479 -4.961 60 H ALA 10 H ALA 10 -8.748 8.790 -7.124 61 HA ALA 10 HA ALA 10 -6.459 9.376 -5.510 62 1HB ALA 10 1HB ALA 10 -5.140 8.006 -7.117 63 2HB ALA 10 2HB ALA 10 -6.708 7.255 -6.766 64 3HB ALA 10 3HB ALA 10 -6.452 8.093 -8.317 65 NH1 ARG 11 NH1 ARG 11 -6.893 14.672 -14.707 66 NH2 ARG 11 NH2 ARG 11 -5.812 16.668 -14.784 67 H ARG 11 H ARG 11 -7.542 10.869 -8.487 68 HA ARG 11 HA ARG 11 -5.019 12.128 -9.402 69 1HB ARG 11 1HB ARG 11 -7.361 11.734 -10.674 70 2HB ARG 11 2HB ARG 11 -7.749 13.319 -10.022 71 1HG ARG 11 1HG ARG 11 -5.067 13.414 -11.227 72 2HG ARG 11 2HG ARG 11 -6.223 12.750 -12.385 73 1HD ARG 11 1HD ARG 11 -7.726 14.712 -12.123 74 2HD ARG 11 2HD ARG 11 -6.726 15.377 -10.829 75 HE ARG 11 HE ARG 11 -4.967 15.918 -12.534 76 1HH1 ARG 11 1HH1 ARG 11 -5.258 17.374 -14.286 77 2HH1 ARG 11 2HH1 ARG 11 -6.093 16.691 -15.771 78 1HH2 ARG 11 1HH2 ARG 11 -7.227 13.889 -14.135 79 2HH2 ARG 11 2HH2 ARG 11 -7.037 14.802 -15.715 80 H ALA 12 H ALA 12 -7.958 13.720 -8.144 81 HA ALA 12 HA ALA 12 -6.853 16.292 -7.542 82 1HB ALA 12 1HB ALA 12 -8.787 16.657 -6.024 83 2HB ALA 12 2HB ALA 12 -9.292 15.865 -7.530 84 3HB ALA 12 3HB ALA 12 -9.160 14.916 -6.028 85 H PHE 13 H PHE 13 -6.725 13.304 -5.691 86 HA PHE 13 HA PHE 13 -5.882 14.354 -3.102 87 1HB PHE 13 1HB PHE 13 -5.341 11.567 -4.276 88 2HB PHE 13 2HB PHE 13 -6.851 12.052 -3.550 89 HD1 PHE 13 HD1 PHE 13 -5.329 9.708 -2.528 90 HD2 PHE 13 HD2 PHE 13 -4.956 13.849 -1.413 91 HE1 PHE 13 HE1 PHE 13 -4.472 9.048 -0.317 92 HE2 PHE 13 HE2 PHE 13 -4.096 13.169 0.789 93 HZ PHE 13 HZ PHE 13 -3.859 10.773 1.345 94 H LEU 14 H LEU 14 -4.076 13.034 -5.881 95 HA LEU 14 HA LEU 14 -1.382 13.718 -4.666 96 1HB LEU 14 1HB LEU 14 -1.860 12.477 -7.428 97 2HB LEU 14 2HB LEU 14 -0.379 12.477 -6.496 98 HG LEU 14 HG LEU 14 -2.879 11.036 -5.448 99 1HD1 LEU 14 1HD1 LEU 14 -2.061 8.932 -6.516 100 2HD1 LEU 14 2HD1 LEU 14 -2.453 10.149 -7.745 101 3HD1 LEU 14 3HD1 LEU 14 -0.751 9.823 -7.332 102 1HD2 LEU 14 1HD2 LEU 14 0.134 10.584 -4.903 103 2HD2 LEU 14 2HD2 LEU 14 -1.035 11.320 -3.781 104 3HD2 LEU 14 3HD2 LEU 14 -1.200 9.616 -4.227 105 H SER 15 H SER 15 -0.391 15.530 -5.067 106 HA SER 15 HA SER 15 -1.495 17.648 -6.857 107 1HB SER 15 1HB SER 15 1.237 18.025 -5.657 108 2HB SER 15 2HB SER 15 -0.082 17.749 -4.516 109 HG SER 15 HG SER 15 0.500 19.915 -5.961 110 H GLU 16 H GLU 16 0.326 18.874 -8.160 111 HA GLU 16 HA GLU 16 1.085 17.103 -10.437 112 1HB GLU 16 1HB GLU 16 0.226 19.326 -10.918 113 2HB GLU 16 2HB GLU 16 1.477 20.104 -9.969 114 1HG GLU 16 1HG GLU 16 1.676 18.825 -12.733 115 2HG GLU 16 2HG GLU 16 3.123 18.851 -11.741 116 H GLU 17 H GLU 17 2.678 18.799 -7.793 117 HA GLU 17 HA GLU 17 5.442 17.786 -8.484 118 1HB GLU 17 1HB GLU 17 5.943 18.890 -6.126 119 2HB GLU 17 2HB GLU 17 4.359 19.620 -6.305 120 1HG GLU 17 1HG GLU 17 5.380 20.333 -8.748 121 2HG GLU 17 2HG GLU 17 6.903 20.117 -7.903 122 H MET 18 H MET 18 3.730 15.695 -8.268 123 HA MET 18 HA MET 18 4.723 14.124 -5.894 124 1HB MET 18 1HB MET 18 2.008 13.437 -5.756 125 2HB MET 18 2HB MET 18 1.933 15.174 -5.984 126 1HG MET 18 1HG MET 18 2.309 13.861 -3.524 127 2HG MET 18 2HG MET 18 3.946 14.418 -3.910 128 1HE MET 18 1HE MET 18 3.030 15.698 -1.389 129 2HE MET 18 2HE MET 18 1.831 17.024 -1.447 130 3HE MET 18 3HE MET 18 1.308 15.337 -1.729 131 H ILE 19 H ILE 19 2.505 14.302 -8.677 132 HA ILE 19 HA ILE 19 2.405 11.449 -9.312 133 HB ILE 19 HB ILE 19 1.618 13.960 -10.747 134 1HG1 ILE 19 1HG1 ILE 19 0.279 11.291 -10.024 135 2HG1 ILE 19 2HG1 ILE 19 -0.439 12.332 -11.234 136 1HG2 ILE 19 1HG2 ILE 19 1.189 12.818 -12.938 137 2HG2 ILE 19 2HG2 ILE 19 2.916 12.829 -12.586 138 3HG2 ILE 19 3HG2 ILE 19 1.980 11.336 -12.347 139 1HD1 ILE 19 1HD1 ILE 19 -0.730 14.200 -9.629 140 2HD1 ILE 19 2HD1 ILE 19 -1.453 12.709 -8.992 141 3HD1 ILE 19 3HD1 ILE 19 0.112 13.272 -8.359 142 H ALA 20 H ALA 20 4.613 14.080 -10.138 143 HA ALA 20 HA ALA 20 6.138 12.926 -12.288 144 1HB ALA 20 1HB ALA 20 7.939 14.533 -11.666 145 2HB ALA 20 2HB ALA 20 6.341 15.304 -11.633 146 3HB ALA 20 3HB ALA 20 7.148 14.861 -10.107 147 H GLU 21 H GLU 21 6.498 12.571 -8.772 148 HA GLU 21 HA GLU 21 9.112 11.288 -8.672 149 1HB GLU 21 1HB GLU 21 8.147 10.316 -6.407 150 2HB GLU 21 2HB GLU 21 6.766 11.346 -6.727 151 1HG GLU 21 1HG GLU 21 9.557 12.079 -5.869 152 2HG GLU 21 2HG GLU 21 8.022 12.811 -5.437 153 H PHE 22 H PHE 22 5.841 10.077 -9.166 154 HA PHE 22 HA PHE 22 6.626 7.166 -9.043 155 1HB PHE 22 1HB PHE 22 3.860 8.248 -9.821 156 2HB PHE 22 2HB PHE 22 4.274 6.653 -9.254 157 HD1 PHE 22 HD1 PHE 22 2.463 9.238 -8.137 158 HD2 PHE 22 HD2 PHE 22 5.969 7.093 -6.860 159 HE1 PHE 22 HE1 PHE 22 2.103 10.004 -5.828 160 HE2 PHE 22 HE2 PHE 22 5.589 7.867 -4.555 161 HZ PHE 22 HZ PHE 22 3.672 9.337 -4.038 162 H LYS 23 H LYS 23 6.212 9.680 -11.403 163 HA LYS 23 HA LYS 23 5.464 8.119 -13.790 164 1HB LYS 23 1HB LYS 23 5.787 10.853 -13.257 165 2HB LYS 23 2HB LYS 23 7.180 10.532 -14.266 166 1HG LYS 23 1HG LYS 23 4.478 9.531 -15.251 167 2HG LYS 23 2HG LYS 23 5.901 10.006 -16.163 168 1HD LYS 23 1HD LYS 23 4.311 11.757 -16.550 169 2HD LYS 23 2HD LYS 23 3.819 11.835 -14.855 170 1HE LYS 23 1HE LYS 23 5.946 12.889 -14.183 171 2HE LYS 23 2HE LYS 23 5.297 13.793 -15.559 172 1HZ LYS 23 1HZ LYS 23 7.772 13.008 -15.525 173 2HZ LYS 23 2HZ LYS 23 6.930 12.982 -16.945 174 3HZ LYS 23 3HZ LYS 23 7.170 11.582 -16.102 175 H ALA 24 H ALA 24 8.538 9.051 -12.291 176 HA ALA 24 HA ALA 24 10.343 8.160 -14.435 177 1HB ALA 24 1HB ALA 24 12.147 8.382 -12.737 178 2HB ALA 24 2HB ALA 24 11.070 9.791 -12.719 179 3HB ALA 24 3HB ALA 24 10.944 8.560 -11.437 180 H ALA 25 H ALA 25 9.950 6.743 -11.170 181 HA ALA 25 HA ALA 25 11.234 4.193 -11.585 182 1HB ALA 25 1HB ALA 25 9.976 3.409 -9.588 183 2HB ALA 25 2HB ALA 25 10.639 5.034 -9.333 184 3HB ALA 25 3HB ALA 25 8.901 4.825 -9.669 185 H PHE 26 H PHE 26 7.997 5.311 -12.366 186 HA PHE 26 HA PHE 26 6.527 2.881 -12.790 187 1HB PHE 26 1HB PHE 26 5.501 5.165 -12.984 188 2HB PHE 26 2HB PHE 26 6.288 5.419 -14.519 189 HD1 PHE 26 HD1 PHE 26 4.254 2.581 -12.959 190 HD2 PHE 26 HD2 PHE 26 4.809 5.160 -16.357 191 HE1 PHE 26 HE1 PHE 26 2.374 1.486 -14.111 192 HE2 PHE 26 HE2 PHE 26 2.928 4.051 -17.495 193 HZ PHE 26 HZ PHE 26 1.700 2.226 -16.371 194 H ASP 27 H ASP 27 8.523 4.691 -15.137 195 HA ASP 27 HA ASP 27 8.277 2.902 -17.420 196 1HB ASP 27 1HB ASP 27 10.821 4.524 -16.923 197 2HB ASP 27 2HB ASP 27 9.313 5.319 -17.312 198 H MET 28 H MET 28 10.511 2.967 -14.674 199 HA MET 28 HA MET 28 12.477 1.019 -15.427 200 1HB MET 28 1HB MET 28 11.360 1.196 -12.571 201 2HB MET 28 2HB MET 28 12.444 2.394 -13.254 202 1HG MET 28 1HG MET 28 14.299 0.843 -13.397 203 2HG MET 28 2HG MET 28 13.248 -0.571 -13.203 204 1HE MET 28 1HE MET 28 13.372 2.969 -11.275 205 2HE MET 28 2HE MET 28 14.300 2.486 -9.824 206 3HE MET 28 3HE MET 28 15.078 2.443 -11.434 207 H PHE 29 H PHE 29 9.242 0.558 -14.041 208 HA PHE 29 HA PHE 29 9.380 -2.397 -13.785 209 1HB PHE 29 1HB PHE 29 6.900 -2.300 -13.423 210 2HB PHE 29 2HB PHE 29 6.868 -0.621 -13.888 211 HD1 PHE 29 HD1 PHE 29 9.827 -1.658 -11.933 212 HD2 PHE 29 HD2 PHE 29 5.802 -0.161 -11.622 213 HE1 PHE 29 HE1 PHE 29 10.221 -1.052 -9.581 214 HE2 PHE 29 HE2 PHE 29 6.217 0.429 -9.270 215 HZ PHE 29 HZ PHE 29 8.412 -0.034 -8.239 216 H ASP 30 H ASP 30 8.165 -0.088 -16.188 217 HA ASP 30 HA ASP 30 6.856 -1.880 -18.073 218 1HB ASP 30 1HB ASP 30 7.043 0.797 -18.043 219 2HB ASP 30 2HB ASP 30 8.404 0.522 -19.106 220 H ALA 31 H ALA 31 7.589 -3.172 -19.644 221 HA ALA 31 HA ALA 31 10.590 -3.765 -19.766 222 1HB ALA 31 1HB ALA 31 9.934 -6.048 -20.539 223 2HB ALA 31 2HB ALA 31 9.212 -5.653 -18.967 224 3HB ALA 31 3HB ALA 31 8.210 -5.616 -20.441 225 H ASP 32 H ASP 32 7.679 -3.158 -21.678 226 HA ASP 32 HA ASP 32 9.110 -3.387 -24.336 227 1HB ASP 32 1HB ASP 32 6.650 -2.515 -25.104 228 2HB ASP 32 2HB ASP 32 7.078 -4.196 -24.881 229 H GLY 33 H GLY 33 6.934 -0.919 -22.913 230 1HA GLY 33 1HA GLY 33 7.949 1.424 -22.401 231 2HA GLY 33 2HA GLY 33 8.824 1.265 -23.906 232 H GLY 34 H GLY 34 5.473 0.245 -23.470 233 1HA GLY 34 1HA GLY 34 3.618 0.741 -25.037 234 2HA GLY 34 2HA GLY 34 4.560 2.093 -25.680 235 H GLY 35 H GLY 35 3.575 1.247 -22.356 236 1HA GLY 35 1HA GLY 35 1.767 3.621 -22.000 237 2HA GLY 35 2HA GLY 35 3.350 3.858 -21.247 238 H ASP 36 H ASP 36 1.348 0.930 -21.575 239 HA ASP 36 HA ASP 36 0.590 0.943 -18.655 240 1HB ASP 36 1HB ASP 36 -1.184 -0.370 -19.173 241 2HB ASP 36 2HB ASP 36 -0.241 -1.469 -20.154 242 H ILE 37 H ILE 37 0.485 -1.816 -18.218 243 HA ILE 37 HA ILE 37 3.216 -3.021 -18.633 244 HB ILE 37 HB ILE 37 2.227 -2.597 -15.778 245 1HG1 ILE 37 1HG1 ILE 37 4.875 -1.426 -16.738 246 2HG1 ILE 37 2HG1 ILE 37 3.396 -0.553 -17.087 247 1HG2 ILE 37 1HG2 ILE 37 4.273 -3.749 -15.030 248 2HG2 ILE 37 2HG2 ILE 37 3.364 -4.798 -16.128 249 3HG2 ILE 37 3HG2 ILE 37 4.823 -3.961 -16.710 250 1HD1 ILE 37 1HD1 ILE 37 4.370 -1.265 -14.256 251 2HD1 ILE 37 2HD1 ILE 37 4.345 0.337 -15.024 252 3HD1 ILE 37 3HD1 ILE 37 2.814 -0.475 -14.625 253 H SER 38 H SER 38 3.320 -5.250 -17.923 254 HA SER 38 HA SER 38 0.590 -6.663 -17.915 255 1HB SER 38 1HB SER 38 1.541 -6.797 -20.168 256 2HB SER 38 2HB SER 38 3.075 -7.413 -19.550 257 HG SER 38 HG SER 38 2.140 -9.280 -19.006 258 H THR 39 H THR 39 0.857 -8.972 -17.225 259 HA THR 39 HA THR 39 1.829 -9.179 -14.501 260 HB THR 39 HB THR 39 1.773 -11.834 -15.160 261 HG1 THR 39 HG1 THR 39 1.265 -11.724 -17.206 262 1HG2 THR 39 1HG2 THR 39 -0.556 -11.923 -14.386 263 2HG2 THR 39 2HG2 THR 39 0.325 -10.731 -13.403 264 3HG2 THR 39 3HG2 THR 39 -0.787 -10.185 -14.686 265 H LYS 40 H LYS 40 3.179 -10.759 -17.430 266 HA LYS 40 HA LYS 40 5.582 -11.839 -16.426 267 1HB LYS 40 1HB LYS 40 5.406 -10.462 -19.152 268 2HB LYS 40 2HB LYS 40 4.611 -11.982 -18.834 269 1HG LYS 40 1HG LYS 40 6.565 -13.033 -19.385 270 2HG LYS 40 2HG LYS 40 7.358 -12.317 -18.007 271 1HD LYS 40 1HD LYS 40 7.243 -10.537 -20.464 272 2HD LYS 40 2HD LYS 40 8.449 -10.710 -19.223 273 1HE LYS 40 1HE LYS 40 9.672 -12.271 -20.297 274 2HE LYS 40 2HE LYS 40 8.284 -13.198 -20.850 275 1HZ LYS 40 1HZ LYS 40 8.201 -11.992 -22.793 276 2HZ LYS 40 2HZ LYS 40 9.815 -11.825 -22.486 277 3HZ LYS 40 3HZ LYS 40 8.775 -10.592 -22.132 278 H GLU 41 H GLU 41 5.170 -8.554 -17.802 279 HA GLU 41 HA GLU 41 7.797 -7.497 -17.591 280 1HB GLU 41 1HB GLU 41 6.860 -5.235 -17.517 281 2HB GLU 41 2HB GLU 41 5.292 -5.844 -17.033 282 1HG GLU 41 1HG GLU 41 6.625 -6.386 -19.762 283 2HG GLU 41 2HG GLU 41 5.079 -7.036 -19.262 284 H LEU 42 H LEU 42 5.229 -7.126 -15.118 285 HA LEU 42 HA LEU 42 6.714 -5.701 -13.100 286 1HB LEU 42 1HB LEU 42 4.127 -6.893 -13.275 287 2HB LEU 42 2HB LEU 42 4.865 -7.673 -11.892 288 HG LEU 42 HG LEU 42 5.059 -4.642 -12.016 289 1HD1 LEU 42 1HD1 LEU 42 2.760 -4.376 -11.048 290 2HD1 LEU 42 2HD1 LEU 42 2.694 -5.017 -12.696 291 3HD1 LEU 42 3HD1 LEU 42 2.432 -6.107 -11.312 292 1HD2 LEU 42 1HD2 LEU 42 4.524 -6.595 -9.676 293 2HD2 LEU 42 2HD2 LEU 42 6.093 -5.856 -10.082 294 3HD2 LEU 42 3HD2 LEU 42 4.752 -4.832 -9.538 295 H GLY 43 H GLY 43 6.356 -9.200 -13.642 296 1HA GLY 43 1HA GLY 43 7.565 -10.361 -11.336 297 2HA GLY 43 2HA GLY 43 7.702 -11.083 -12.944 298 H THR 44 H THR 44 9.162 -9.130 -14.277 299 HA THR 44 HA THR 44 11.873 -10.022 -13.712 300 HB THR 44 HB THR 44 10.753 -7.911 -15.573 301 HG1 THR 44 HG1 THR 44 11.178 -10.399 -15.720 302 1HG2 THR 44 1HG2 THR 44 13.029 -7.471 -16.512 303 2HG2 THR 44 2HG2 THR 44 12.884 -6.842 -14.857 304 3HG2 THR 44 3HG2 THR 44 13.774 -8.357 -15.158 305 H VAL 45 H VAL 45 10.177 -6.985 -12.997 306 HA VAL 45 HA VAL 45 12.460 -5.488 -11.914 307 HB VAL 45 HB VAL 45 9.592 -4.995 -12.243 308 1HG1 VAL 45 1HG1 VAL 45 11.880 -2.960 -11.882 309 2HG1 VAL 45 2HG1 VAL 45 11.542 -3.781 -13.411 310 3HG1 VAL 45 3HG1 VAL 45 10.315 -2.708 -12.700 311 1HG2 VAL 45 1HG2 VAL 45 9.148 -3.433 -10.420 312 2HG2 VAL 45 2HG2 VAL 45 9.640 -4.963 -9.658 313 3HG2 VAL 45 3HG2 VAL 45 10.791 -3.622 -9.754 314 H MET 46 H MET 46 10.064 -7.699 -10.562 315 HA MET 46 HA MET 46 10.505 -7.308 -7.700 316 1HB MET 46 1HB MET 46 9.565 -9.609 -7.383 317 2HB MET 46 2HB MET 46 9.684 -9.911 -9.107 318 1HG MET 46 1HG MET 46 7.681 -8.891 -9.532 319 2HG MET 46 2HG MET 46 8.135 -7.434 -8.631 320 1HE MET 46 1HE MET 46 7.971 -11.275 -7.399 321 2HE MET 46 2HE MET 46 6.348 -11.291 -6.650 322 3HE MET 46 3HE MET 46 6.510 -11.083 -8.418 323 NH1 ARG 47 NH1 ARG 47 17.327 -10.437 -13.662 324 NH2 ARG 47 NH2 ARG 47 18.997 -11.972 -13.510 325 H ARG 47 H ARG 47 12.194 -9.148 -10.183 326 HA ARG 47 HA ARG 47 13.820 -10.972 -8.682 327 1HB ARG 47 1HB ARG 47 14.906 -9.474 -11.128 328 2HB ARG 47 2HB ARG 47 13.629 -10.676 -11.258 329 1HG ARG 47 1HG ARG 47 15.305 -12.256 -9.886 330 2HG ARG 47 2HG ARG 47 16.531 -11.104 -10.417 331 1HD ARG 47 1HD ARG 47 15.034 -13.156 -12.038 332 2HD ARG 47 2HD ARG 47 15.131 -11.581 -12.810 333 HE ARG 47 HE ARG 47 17.507 -13.322 -12.202 334 1HH1 ARG 47 1HH1 ARG 47 16.365 -10.179 -13.419 335 2HH1 ARG 47 2HH1 ARG 47 17.990 -9.885 -14.218 336 1HH2 ARG 47 1HH2 ARG 47 19.310 -12.881 -13.153 337 2HH2 ARG 47 2HH2 ARG 47 19.542 -11.313 -14.077 338 H MET 48 H MET 48 14.345 -7.539 -9.409 339 HA MET 48 HA MET 48 17.061 -7.152 -8.562 340 1HB MET 48 1HB MET 48 16.730 -4.892 -8.698 341 2HB MET 48 2HB MET 48 15.294 -5.419 -9.557 342 1HG MET 48 1HG MET 48 13.819 -4.695 -7.888 343 2HG MET 48 2HG MET 48 14.959 -4.994 -6.566 344 1HE MET 48 1HE MET 48 13.114 -2.278 -6.976 345 2HE MET 48 2HE MET 48 13.929 -0.952 -7.855 346 3HE MET 48 3HE MET 48 13.294 -2.360 -8.756 347 H LEU 49 H LEU 49 14.070 -7.123 -6.632 348 HA LEU 49 HA LEU 49 15.211 -6.532 -4.013 349 1HB LEU 49 1HB LEU 49 13.051 -8.140 -3.361 350 2HB LEU 49 2HB LEU 49 12.615 -7.703 -4.999 351 HG LEU 49 HG LEU 49 13.456 -5.392 -3.242 352 1HD1 LEU 49 1HD1 LEU 49 11.576 -4.250 -4.423 353 2HD1 LEU 49 2HD1 LEU 49 12.672 -5.017 -5.587 354 3HD1 LEU 49 3HD1 LEU 49 11.106 -5.778 -5.211 355 1HD2 LEU 49 1HD2 LEU 49 10.766 -6.845 -2.762 356 2HD2 LEU 49 2HD2 LEU 49 12.095 -6.684 -1.588 357 3HD2 LEU 49 3HD2 LEU 49 11.211 -5.245 -2.117 358 H GLY 50 H GLY 50 14.104 -9.700 -5.264 359 1HA GLY 50 1HA GLY 50 16.267 -11.457 -4.999 360 2HA GLY 50 2HA GLY 50 15.876 -11.171 -3.298 361 H GLN 51 H GLN 51 13.687 -11.400 -6.091 362 HA GLN 51 HA GLN 51 12.513 -14.053 -5.244 363 1HB GLN 51 1HB GLN 51 10.989 -11.429 -4.833 364 2HB GLN 51 2HB GLN 51 11.348 -12.677 -3.655 365 1HG GLN 51 1HG GLN 51 9.619 -13.383 -6.074 366 2HG GLN 51 2HG GLN 51 8.916 -12.461 -4.764 367 1HE2 GLN 51 1HE2 GLN 51 8.709 -15.303 -2.548 368 2HE2 GLN 51 2HE2 GLN 51 8.650 -13.475 -2.695 369 H ASN 52 H ASN 52 11.462 -15.011 -6.908 370 HA ASN 52 HA ASN 52 10.666 -13.520 -9.376 371 1HB ASN 52 1HB ASN 52 13.245 -14.063 -9.445 372 2HB ASN 52 2HB ASN 52 12.771 -15.712 -9.791 373 1HD2 ASN 52 1HD2 ASN 52 13.269 -13.901 -13.067 374 2HD2 ASN 52 2HD2 ASN 52 14.274 -14.342 -11.597 375 HA PRO 53 HA PRO 53 8.103 -17.423 -8.598 376 1HB PRO 53 1HB PRO 53 6.403 -16.153 -7.592 377 2HB PRO 53 2HB PRO 53 5.632 -16.375 -9.171 378 1HG PRO 53 1HG PRO 53 6.209 -14.253 -9.990 379 2HG PRO 53 2HG PRO 53 6.063 -13.837 -8.267 380 1HD PRO 53 1HD PRO 53 8.443 -13.689 -8.018 381 2HD PRO 53 2HD PRO 53 8.413 -13.474 -9.793 382 H THR 54 H THR 54 6.251 -18.393 -10.082 383 HA THR 54 HA THR 54 7.379 -18.711 -12.834 384 HB THR 54 HB THR 54 6.339 -20.575 -11.278 385 HG1 THR 54 HG1 THR 54 5.516 -21.422 -13.515 386 1HG2 THR 54 1HG2 THR 54 4.043 -21.265 -11.885 387 2HG2 THR 54 2HG2 THR 54 4.004 -19.663 -11.112 388 3HG2 THR 54 3HG2 THR 54 3.820 -19.805 -12.879 389 H LYS 55 H LYS 55 5.182 -19.145 -14.391 390 HA LYS 55 HA LYS 55 4.417 -16.358 -15.131 391 1HB LYS 55 1HB LYS 55 3.441 -18.966 -16.451 392 2HB LYS 55 2HB LYS 55 5.014 -18.269 -16.783 393 1HG LYS 55 1HG LYS 55 3.682 -16.085 -17.441 394 2HG LYS 55 2HG LYS 55 3.819 -17.418 -18.572 395 1HD LYS 55 1HD LYS 55 1.375 -16.378 -17.096 396 2HD LYS 55 2HD LYS 55 1.535 -16.957 -18.747 397 1HE LYS 55 1HE LYS 55 1.910 -19.349 -17.548 398 2HE LYS 55 2HE LYS 55 1.042 -18.587 -16.219 399 1HZ LYS 55 1HZ LYS 55 -0.610 -19.548 -17.533 400 2HZ LYS 55 2HZ LYS 55 0.084 -19.126 -18.972 401 3HZ LYS 55 3HZ LYS 55 -0.669 -17.980 -18.050 402 H GLU 56 H GLU 56 2.663 -19.343 -14.239 403 HA GLU 56 HA GLU 56 -0.026 -18.169 -14.161 404 1HB GLU 56 1HB GLU 56 0.092 -20.460 -12.395 405 2HB GLU 56 2HB GLU 56 1.137 -20.794 -13.762 406 1HG GLU 56 1HG GLU 56 -1.489 -19.648 -14.617 407 2HG GLU 56 2HG GLU 56 -0.634 -21.059 -15.215 408 H GLU 57 H GLU 57 2.569 -18.582 -11.812 409 HA GLU 57 HA GLU 57 1.179 -17.899 -9.330 410 1HB GLU 57 1HB GLU 57 3.674 -16.947 -8.786 411 2HB GLU 57 2HB GLU 57 4.059 -17.946 -10.171 412 1HG GLU 57 1HG GLU 57 2.708 -19.864 -8.845 413 2HG GLU 57 2HG GLU 57 4.391 -19.515 -8.471 414 H LEU 58 H LEU 58 2.915 -15.909 -11.727 415 HA LEU 58 HA LEU 58 2.503 -13.291 -10.547 416 1HB LEU 58 1HB LEU 58 3.056 -14.261 -13.385 417 2HB LEU 58 2HB LEU 58 2.673 -12.573 -13.111 418 HG LEU 58 HG LEU 58 5.036 -14.160 -11.928 419 1HD1 LEU 58 1HD1 LEU 58 6.453 -12.474 -13.165 420 2HD1 LEU 58 2HD1 LEU 58 5.437 -13.400 -14.279 421 3HD1 LEU 58 3HD1 LEU 58 4.985 -11.732 -13.852 422 1HD2 LEU 58 1HD2 LEU 58 4.258 -11.236 -11.304 423 2HD2 LEU 58 2HD2 LEU 58 4.161 -12.610 -10.174 424 3HD2 LEU 58 3HD2 LEU 58 5.741 -12.065 -10.767 425 H ASP 59 H ASP 59 0.495 -15.356 -12.576 426 HA ASP 59 HA ASP 59 -1.571 -13.428 -13.339 427 1HB ASP 59 1HB ASP 59 -1.184 -15.650 -14.500 428 2HB ASP 59 2HB ASP 59 -1.900 -16.472 -13.132 429 H ALA 60 H ALA 60 -1.083 -15.495 -10.535 430 HA ALA 60 HA ALA 60 -3.736 -15.175 -9.287 431 1HB ALA 60 1HB ALA 60 -2.668 -16.144 -7.257 432 2HB ALA 60 2HB ALA 60 -2.257 -17.073 -8.712 433 3HB ALA 60 3HB ALA 60 -1.054 -15.976 -7.988 434 H ILE 61 H ILE 61 -0.636 -13.477 -9.031 435 HA ILE 61 HA ILE 61 -1.227 -11.785 -6.699 436 HB ILE 61 HB ILE 61 0.940 -11.918 -8.734 437 1HG1 ILE 61 1HG1 ILE 61 2.050 -12.578 -6.864 438 2HG1 ILE 61 2HG1 ILE 61 0.639 -12.255 -5.879 439 1HG2 ILE 61 1HG2 ILE 61 1.863 -9.625 -8.294 440 2HG2 ILE 61 2HG2 ILE 61 0.304 -9.519 -9.109 441 3HG2 ILE 61 3HG2 ILE 61 0.407 -9.197 -7.362 442 1HD1 ILE 61 1HD1 ILE 61 1.346 -9.922 -5.420 443 2HD1 ILE 61 2HD1 ILE 61 2.644 -11.064 -5.011 444 3HD1 ILE 61 3HD1 ILE 61 2.748 -10.109 -6.509 445 H ILE 62 H ILE 62 -1.642 -11.445 -10.205 446 HA ILE 62 HA ILE 62 -2.657 -8.642 -10.147 447 HB ILE 62 HB ILE 62 -2.555 -10.747 -12.353 448 1HG1 ILE 62 1HG1 ILE 62 -0.386 -9.902 -12.297 449 2HG1 ILE 62 2HG1 ILE 62 -0.854 -8.395 -11.540 450 1HG2 ILE 62 1HG2 ILE 62 -3.410 -9.039 -13.982 451 2HG2 ILE 62 2HG2 ILE 62 -4.638 -9.397 -12.769 452 3HG2 ILE 62 3HG2 ILE 62 -3.702 -7.889 -12.653 453 1HD1 ILE 62 1HD1 ILE 62 -1.624 -7.415 -13.683 454 2HD1 ILE 62 2HD1 ILE 62 0.038 -8.022 -13.832 455 3HD1 ILE 62 3HD1 ILE 62 -1.306 -8.955 -14.528 456 H GLU 63 H GLU 63 -3.977 -11.903 -10.025 457 HA GLU 63 HA GLU 63 -6.737 -11.650 -10.503 458 1HB GLU 63 1HB GLU 63 -5.332 -13.695 -9.614 459 2HB GLU 63 2HB GLU 63 -5.831 -13.168 -8.019 460 1HG GLU 63 1HG GLU 63 -8.259 -13.417 -8.684 461 2HG GLU 63 2HG GLU 63 -7.779 -13.877 -10.308 462 H GLU 64 H GLU 64 -4.981 -10.693 -7.558 463 HA GLU 64 HA GLU 64 -7.304 -9.454 -6.175 464 1HB GLU 64 1HB GLU 64 -4.348 -9.634 -5.663 465 2HB GLU 64 2HB GLU 64 -5.702 -10.035 -4.626 466 1HG GLU 64 1HG GLU 64 -4.093 -7.884 -4.195 467 2HG GLU 64 2HG GLU 64 -5.231 -7.088 -5.269 468 H VAL 65 H VAL 65 -8.224 -7.616 -6.691 469 HA VAL 65 HA VAL 65 -8.600 -5.374 -7.510 470 HB VAL 65 HB VAL 65 -5.940 -5.211 -6.868 471 1HG1 VAL 65 1HG1 VAL 65 -4.671 -4.189 -8.763 472 2HG1 VAL 65 2HG1 VAL 65 -5.118 -5.864 -9.137 473 3HG1 VAL 65 3HG1 VAL 65 -6.015 -4.520 -9.884 474 1HG2 VAL 65 1HG2 VAL 65 -7.571 -2.984 -8.272 475 2HG2 VAL 65 2HG2 VAL 65 -7.585 -3.360 -6.532 476 3HG2 VAL 65 3HG2 VAL 65 -6.109 -2.742 -7.286 477 H ASP 66 H ASP 66 -7.759 -4.277 -9.900 478 HA ASP 66 HA ASP 66 -7.980 -4.398 -12.284 479 1HB ASP 66 1HB ASP 66 -7.611 -6.714 -13.401 480 2HB ASP 66 2HB ASP 66 -7.222 -7.328 -11.811 481 H GLU 67 H GLU 67 -10.144 -4.428 -10.529 482 HA GLU 67 HA GLU 67 -12.225 -6.388 -11.485 483 1HB GLU 67 1HB GLU 67 -12.440 -6.022 -9.196 484 2HB GLU 67 2HB GLU 67 -13.738 -5.061 -9.878 485 1HG GLU 67 1HG GLU 67 -11.367 -4.205 -8.275 486 2HG GLU 67 2HG GLU 67 -11.590 -3.203 -9.699 487 H ASP 68 H ASP 68 -10.993 -4.445 -13.370 488 HA ASP 68 HA ASP 68 -13.392 -2.697 -14.120 489 1HB ASP 68 1HB ASP 68 -11.237 -1.712 -15.641 490 2HB ASP 68 2HB ASP 68 -12.000 -0.960 -14.259 491 H GLY 69 H GLY 69 -11.006 -5.063 -15.167 492 1HA GLY 69 1HA GLY 69 -11.815 -6.837 -16.900 493 2HA GLY 69 2HA GLY 69 -12.549 -5.490 -17.785 494 H SER 70 H SER 70 -9.403 -5.485 -16.168 495 HA SER 70 HA SER 70 -7.814 -5.542 -18.747 496 1HB SER 70 1HB SER 70 -6.885 -3.271 -18.481 497 2HB SER 70 2HB SER 70 -8.634 -3.224 -18.722 498 HG SER 70 HG SER 70 -7.424 -2.033 -16.892 499 H GLY 71 H GLY 71 -7.071 -7.417 -17.511 500 1HA GLY 71 1HA GLY 71 -5.874 -7.652 -14.946 501 2HA GLY 71 2HA GLY 71 -5.253 -8.514 -16.357 502 H THR 72 H THR 72 -4.633 -6.017 -17.799 503 HA THR 72 HA THR 72 -1.848 -5.599 -16.841 504 HB THR 72 HB THR 72 -1.921 -3.681 -18.676 505 HG1 THR 72 HG1 THR 72 -4.100 -3.711 -19.006 506 1HG2 THR 72 1HG2 THR 72 -1.370 -5.259 -20.484 507 2HG2 THR 72 2HG2 THR 72 -0.591 -5.810 -18.984 508 3HG2 THR 72 3HG2 THR 72 -2.054 -6.633 -19.586 509 H ILE 73 H ILE 73 -1.028 -3.951 -15.702 510 HA ILE 73 HA ILE 73 -2.958 -2.073 -14.280 511 HB ILE 73 HB ILE 73 -0.030 -2.679 -13.622 512 1HG1 ILE 73 1HG1 ILE 73 -2.374 -3.538 -11.854 513 2HG1 ILE 73 2HG1 ILE 73 -1.985 -4.511 -13.257 514 1HG2 ILE 73 1HG2 ILE 73 -0.379 -1.417 -11.502 515 2HG2 ILE 73 2HG2 ILE 73 -0.730 -0.364 -12.880 516 3HG2 ILE 73 3HG2 ILE 73 -2.067 -1.062 -11.935 517 1HD1 ILE 73 1HD1 ILE 73 -0.025 -3.941 -10.957 518 2HD1 ILE 73 2HD1 ILE 73 -0.857 -5.468 -11.321 519 3HD1 ILE 73 3HD1 ILE 73 0.379 -4.847 -12.441 520 H ASP 74 H ASP 74 -3.258 -0.187 -15.213 521 HA ASP 74 HA ASP 74 -1.225 0.997 -17.121 522 1HB ASP 74 1HB ASP 74 -2.910 2.315 -18.065 523 2HB ASP 74 2HB ASP 74 -3.867 2.382 -16.603 524 H PHE 75 H PHE 75 -1.579 3.642 -16.917 525 HA PHE 75 HA PHE 75 -0.117 4.398 -14.427 526 1HB PHE 75 1HB PHE 75 0.401 5.368 -16.720 527 2HB PHE 75 2HB PHE 75 -1.126 6.209 -16.703 528 HD1 PHE 75 HD1 PHE 75 -1.543 7.898 -14.675 529 HD2 PHE 75 HD2 PHE 75 2.347 6.408 -15.759 530 HE1 PHE 75 HE1 PHE 75 -0.484 9.818 -13.558 531 HE2 PHE 75 HE2 PHE 75 3.386 8.333 -14.629 532 HZ PHE 75 HZ PHE 75 1.978 10.041 -13.535 533 H GLU 76 H GLU 76 -3.355 4.723 -15.766 534 HA GLU 76 HA GLU 76 -4.393 6.746 -13.885 535 1HB GLU 76 1HB GLU 76 -5.662 4.949 -15.957 536 2HB GLU 76 2HB GLU 76 -6.696 5.669 -14.742 537 1HG GLU 76 1HG GLU 76 -6.276 7.912 -15.512 538 2HG GLU 76 2HG GLU 76 -4.804 7.455 -16.343 539 H GLU 77 H GLU 77 -4.230 3.238 -13.923 540 HA GLU 77 HA GLU 77 -5.959 2.908 -11.461 541 1HB GLU 77 1HB GLU 77 -6.517 1.076 -12.612 542 2HB GLU 77 2HB GLU 77 -5.118 1.163 -13.658 543 1HG GLU 77 1HG GLU 77 -3.725 -0.111 -12.065 544 2HG GLU 77 2HG GLU 77 -4.954 -0.008 -10.809 545 H PHE 78 H PHE 78 -2.590 2.910 -12.406 546 HA PHE 78 HA PHE 78 -1.390 1.606 -10.103 547 1HB PHE 78 1HB PHE 78 -0.102 2.055 -12.169 548 2HB PHE 78 2HB PHE 78 -0.234 3.782 -11.959 549 HD1 PHE 78 HD1 PHE 78 1.564 4.920 -10.807 550 HD2 PHE 78 HD2 PHE 78 1.064 0.696 -10.158 551 HE1 PHE 78 HE1 PHE 78 3.723 4.835 -9.628 552 HE2 PHE 78 HE2 PHE 78 3.222 0.632 -8.977 553 HZ PHE 78 HZ PHE 78 4.552 2.696 -8.706 554 H LEU 79 H LEU 79 -2.213 5.007 -10.735 555 HA LEU 79 HA LEU 79 -1.097 6.142 -8.261 556 1HB LEU 79 1HB LEU 79 -2.587 8.153 -8.797 557 2HB LEU 79 2HB LEU 79 -3.261 7.258 -10.141 558 HG LEU 79 HG LEU 79 -0.813 7.062 -11.063 559 1HD1 LEU 79 1HD1 LEU 79 -0.319 9.399 -9.112 560 2HD1 LEU 79 2HD1 LEU 79 0.315 7.758 -8.886 561 3HD1 LEU 79 3HD1 LEU 79 0.836 8.723 -10.289 562 1HD2 LEU 79 1HD2 LEU 79 -0.961 9.221 -12.230 563 2HD2 LEU 79 2HD2 LEU 79 -2.627 8.637 -11.996 564 3HD2 LEU 79 3HD2 LEU 79 -1.989 9.914 -10.950 565 H VAL 80 H VAL 80 -4.211 4.755 -9.136 566 HA VAL 80 HA VAL 80 -5.739 5.582 -6.764 567 HB VAL 80 HB VAL 80 -6.201 3.480 -8.900 568 1HG1 VAL 80 1HG1 VAL 80 -8.009 5.812 -8.013 569 2HG1 VAL 80 2HG1 VAL 80 -6.772 5.974 -9.266 570 3HG1 VAL 80 3HG1 VAL 80 -8.124 4.844 -9.506 571 1HG2 VAL 80 1HG2 VAL 80 -8.320 2.740 -7.913 572 2HG2 VAL 80 2HG2 VAL 80 -7.052 2.443 -6.702 573 3HG2 VAL 80 3HG2 VAL 80 -8.133 3.833 -6.520 574 H MET 81 H MET 81 -3.825 2.704 -7.602 575 HA MET 81 HA MET 81 -4.339 0.982 -5.317 576 1HB MET 81 1HB MET 81 -1.883 0.151 -5.752 577 2HB MET 81 2HB MET 81 -1.878 1.264 -7.108 578 1HG MET 81 1HG MET 81 -4.184 -0.023 -7.765 579 2HG MET 81 2HG MET 81 -2.590 -0.642 -8.229 580 1HE MET 81 1HE MET 81 -1.314 -2.604 -7.141 581 2HE MET 81 2HE MET 81 -2.311 -3.993 -6.616 582 3HE MET 81 3HE MET 81 -2.603 -3.241 -8.210 583 H MET 82 H MET 82 -1.704 3.353 -5.817 584 HA MET 82 HA MET 82 -0.542 3.063 -3.124 585 1HB MET 82 1HB MET 82 -0.107 5.002 -5.424 586 2HB MET 82 2HB MET 82 0.533 5.424 -3.848 587 1HG MET 82 1HG MET 82 1.189 2.607 -4.663 588 2HG MET 82 2HG MET 82 1.813 3.839 -5.768 589 1HE MET 82 1HE MET 82 1.867 2.884 -1.654 590 2HE MET 82 2HE MET 82 3.608 2.541 -1.874 591 3HE MET 82 3HE MET 82 2.404 1.746 -2.930 592 H VAL 83 H VAL 83 -2.995 5.144 -4.544 593 HA VAL 83 HA VAL 83 -3.034 7.323 -2.595 594 HB VAL 83 HB VAL 83 -4.752 6.485 -4.849 595 1HG1 VAL 83 1HG1 VAL 83 -4.240 9.310 -3.727 596 2HG1 VAL 83 2HG1 VAL 83 -3.110 8.477 -4.804 597 3HG1 VAL 83 3HG1 VAL 83 -4.749 8.864 -5.377 598 1HG2 VAL 83 1HG2 VAL 83 -6.823 7.629 -4.246 599 2HG2 VAL 83 2HG2 VAL 83 -6.511 6.446 -2.954 600 3HG2 VAL 83 3HG2 VAL 83 -6.164 8.159 -2.676 601 NH1 ARG 84 NH1 ARG 84 -10.204 3.017 -4.080 602 NH2 ARG 84 NH2 ARG 84 -11.457 1.472 -2.983 603 H ARG 84 H ARG 84 -4.690 4.193 -2.792 604 HA ARG 84 HA ARG 84 -6.645 4.489 -0.629 605 1HB ARG 84 1HB ARG 84 -5.486 2.180 -2.174 606 2HB ARG 84 2HB ARG 84 -6.066 1.787 -0.562 607 1HG ARG 84 1HG ARG 84 -8.284 2.097 -1.075 608 2HG ARG 84 2HG ARG 84 -7.986 3.496 -2.110 609 1HD ARG 84 1HD ARG 84 -7.539 2.188 -4.043 610 2HD ARG 84 2HD ARG 84 -7.075 0.753 -3.126 611 HE ARG 84 HE ARG 84 -9.383 0.077 -3.243 612 1HH1 ARG 84 1HH1 ARG 84 -9.281 3.291 -4.435 613 2HH1 ARG 84 2HH1 ARG 84 -11.078 3.547 -4.167 614 1HH2 ARG 84 1HH2 ARG 84 -11.495 0.559 -2.517 615 2HH2 ARG 84 2HH2 ARG 84 -12.239 2.120 -3.131 616 H GLN 85 H GLN 85 -3.255 3.427 -0.697 617 HA GLN 85 HA GLN 85 -3.065 2.612 2.166 618 1HB GLN 85 1HB GLN 85 -1.531 1.900 0.152 619 2HB GLN 85 2HB GLN 85 -0.870 2.068 1.767 620 1HG GLN 85 1HG GLN 85 -0.531 4.657 0.561 621 2HG GLN 85 2HG GLN 85 -0.151 3.511 -0.706 622 1HE2 GLN 85 1HE2 GLN 85 2.470 2.048 1.744 623 2HE2 GLN 85 2HE2 GLN 85 0.944 1.406 0.952 624 H MET 86 H MET 86 -2.574 5.538 0.270 625 HA MET 86 HA MET 86 -1.234 7.219 2.277 626 1HB MET 86 1HB MET 86 -2.344 7.618 -0.420 627 2HB MET 86 2HB MET 86 -2.795 8.953 0.624 628 1HG MET 86 1HG MET 86 -0.152 8.330 -0.552 629 2HG MET 86 2HG MET 86 -0.024 8.573 1.198 630 1HE MET 86 1HE MET 86 -2.518 10.112 -1.597 631 2HE MET 86 2HE MET 86 -1.734 11.700 -1.839 632 3HE MET 86 3HE MET 86 -0.879 10.204 -2.313 633 H LYS 87 H LYS 87 -4.533 6.198 1.803 634 HA LYS 87 HA LYS 87 -6.224 8.183 2.865 635 1HB LYS 87 1HB LYS 87 -6.346 5.157 3.409 636 2HB LYS 87 2HB LYS 87 -7.562 6.274 4.012 637 1HG LYS 87 1HG LYS 87 -7.527 5.018 1.472 638 2HG LYS 87 2HG LYS 87 -7.106 6.682 1.102 639 1HD LYS 87 1HD LYS 87 -9.611 5.711 2.622 640 2HD LYS 87 2HD LYS 87 -9.167 7.406 2.459 641 1HE LYS 87 1HE LYS 87 -9.838 7.542 0.221 642 2HE LYS 87 2HE LYS 87 -9.294 5.904 -0.167 643 1HZ LYS 87 1HZ LYS 87 -11.572 5.702 -0.206 644 2HZ LYS 87 2HZ LYS 87 -11.844 6.744 1.047 645 3HZ LYS 87 3HZ LYS 87 -11.283 5.220 1.348 646 H GLU 88 H GLU 88 -6.735 9.029 4.791 647 HA GLU 88 HA GLU 88 -4.757 9.316 6.896 648 1HB GLU 88 1HB GLU 88 -7.613 9.758 7.694 649 2HB GLU 88 2HB GLU 88 -7.102 10.622 6.257 650 1HG GLU 88 1HG GLU 88 -6.263 11.000 9.137 651 2HG GLU 88 2HG GLU 88 -4.981 11.219 7.959 652 H ASP 89 H ASP 89 -4.016 7.417 7.664 653 HA ASP 89 HA ASP 89 -3.888 5.436 9.030 654 1HB ASP 89 1HB ASP 89 -6.135 5.982 10.827 655 2HB ASP 89 2HB ASP 89 -4.420 5.902 11.157 656 H ALA 90 H ALA 90 -4.664 4.364 7.052 657 HA ALA 90 HA ALA 90 -7.320 2.895 7.542 658 1HB ALA 90 1HB ALA 90 -7.422 2.436 5.078 659 2HB ALA 90 2HB ALA 90 -7.409 4.183 5.392 660 3HB ALA 90 3HB ALA 90 -5.932 3.375 4.812 Start of MODEL 26 Raw file had 660 H/Q atoms Start of MODEL 26 1 1H ALA 1 1H ALA 1 -14.361 8.063 -23.532 2 2H ALA 1 2H ALA 1 -15.114 9.507 -23.112 3 3H ALA 1 3H ALA 1 -14.188 8.681 -21.978 4 HA ALA 1 HA ALA 1 -16.766 8.564 -21.962 5 1HB ALA 1 1HB ALA 1 -17.306 7.818 -24.133 6 2HB ALA 1 2HB ALA 1 -17.325 6.284 -23.241 7 3HB ALA 1 3HB ALA 1 -15.918 6.709 -24.249 8 H SER 2 H SER 2 -16.806 7.858 -19.955 9 HA SER 2 HA SER 2 -16.117 5.118 -19.106 10 1HB SER 2 1HB SER 2 -14.231 5.726 -17.500 11 2HB SER 2 2HB SER 2 -13.808 5.702 -19.214 12 HG SER 2 HG SER 2 -14.545 8.015 -17.737 13 H MET 3 H MET 3 -16.506 4.806 -16.813 14 HA MET 3 HA MET 3 -18.336 6.930 -15.567 15 1HB MET 3 1HB MET 3 -18.741 3.919 -15.864 16 2HB MET 3 2HB MET 3 -19.545 4.794 -14.574 17 1HG MET 3 1HG MET 3 -20.309 6.417 -16.639 18 2HG MET 3 2HG MET 3 -20.002 4.947 -17.573 19 1HE MET 3 1HE MET 3 -21.278 3.246 -17.943 20 2HE MET 3 2HE MET 3 -22.995 3.089 -17.466 21 3HE MET 3 3HE MET 3 -21.728 2.259 -16.515 22 H THR 4 H THR 4 -16.346 4.035 -14.915 23 HA THR 4 HA THR 4 -16.086 4.062 -12.099 24 HB THR 4 HB THR 4 -13.950 2.936 -12.277 25 HG1 THR 4 HG1 THR 4 -13.785 2.884 -14.959 26 1HG2 THR 4 1HG2 THR 4 -14.654 0.944 -13.230 27 2HG2 THR 4 2HG2 THR 4 -15.307 1.714 -14.693 28 3HG2 THR 4 3HG2 THR 4 -16.239 1.746 -13.174 29 H ASP 5 H ASP 5 -15.589 5.612 -10.747 30 HA ASP 5 HA ASP 5 -13.917 8.011 -11.498 31 1HB ASP 5 1HB ASP 5 -14.524 8.948 -9.300 32 2HB ASP 5 2HB ASP 5 -15.936 8.471 -10.214 33 H GLN 6 H GLN 6 -12.453 5.706 -11.667 34 HA GLN 6 HA GLN 6 -10.677 5.422 -9.232 35 1HB GLN 6 1HB GLN 6 -9.666 4.215 -11.747 36 2HB GLN 6 2HB GLN 6 -9.886 3.518 -10.153 37 1HG GLN 6 1HG GLN 6 -11.749 3.508 -12.517 38 2HG GLN 6 2HG GLN 6 -12.544 3.724 -10.973 39 1HE2 GLN 6 1HE2 GLN 6 -10.316 0.214 -11.112 40 2HE2 GLN 6 2HE2 GLN 6 -9.589 1.801 -11.678 41 H GLN 7 H GLN 7 -10.401 6.491 -12.634 42 HA GLN 7 HA GLN 7 -7.637 7.610 -12.304 43 1HB GLN 7 1HB GLN 7 -8.461 6.598 -14.497 44 2HB GLN 7 2HB GLN 7 -7.699 8.178 -14.617 45 1HG GLN 7 1HG GLN 7 -10.296 9.028 -14.433 46 2HG GLN 7 2HG GLN 7 -9.471 8.718 -15.954 47 1HE2 GLN 7 1HE2 GLN 7 -12.823 6.756 -15.531 48 2HE2 GLN 7 2HE2 GLN 7 -12.349 8.477 -15.106 49 H ALA 8 H ALA 8 -10.957 8.783 -12.291 50 HA ALA 8 HA ALA 8 -10.476 11.658 -12.546 51 1HB ALA 8 1HB ALA 8 -12.783 11.926 -11.647 52 2HB ALA 8 2HB ALA 8 -12.717 10.660 -12.888 53 3HB ALA 8 3HB ALA 8 -12.830 10.213 -11.167 54 H GLU 9 H GLU 9 -10.624 9.463 -9.760 55 HA GLU 9 HA GLU 9 -10.533 11.513 -7.639 56 1HB GLU 9 1HB GLU 9 -10.241 8.485 -7.666 57 2HB GLU 9 2HB GLU 9 -9.608 9.355 -6.276 58 1HG GLU 9 1HG GLU 9 -12.208 8.484 -6.446 59 2HG GLU 9 2HG GLU 9 -12.437 10.111 -7.075 60 H ALA 10 H ALA 10 -8.080 9.492 -9.228 61 HA ALA 10 HA ALA 10 -5.823 10.366 -7.497 62 1HB ALA 10 1HB ALA 10 -4.408 9.017 -9.038 63 2HB ALA 10 2HB ALA 10 -5.842 8.109 -8.522 64 3HB ALA 10 3HB ALA 10 -5.773 8.806 -10.160 65 NH1 ARG 11 NH1 ARG 11 -6.757 12.285 -17.144 66 NH2 ARG 11 NH2 ARG 11 -8.786 13.134 -17.710 67 H ARG 11 H ARG 11 -7.230 11.380 -10.541 68 HA ARG 11 HA ARG 11 -4.899 12.927 -11.610 69 1HB ARG 11 1HB ARG 11 -6.326 12.201 -13.339 70 2HB ARG 11 2HB ARG 11 -7.791 12.530 -12.427 71 1HG ARG 11 1HG ARG 11 -8.007 14.649 -13.212 72 2HG ARG 11 2HG ARG 11 -6.311 15.050 -12.932 73 1HD ARG 11 1HD ARG 11 -6.424 15.192 -15.281 74 2HD ARG 11 2HD ARG 11 -5.807 13.551 -15.079 75 HE ARG 11 HE ARG 11 -8.817 13.789 -15.277 76 1HH1 ARG 11 1HH1 ARG 11 -6.010 12.218 -16.443 77 2HH1 ARG 11 2HH1 ARG 11 -6.780 11.829 -18.063 78 1HH2 ARG 11 1HH2 ARG 11 -9.579 13.732 -17.451 79 2HH2 ARG 11 2HH2 ARG 11 -8.677 12.602 -18.580 80 H ALA 12 H ALA 12 -7.834 13.569 -9.747 81 HA ALA 12 HA ALA 12 -7.715 16.535 -9.867 82 1HB ALA 12 1HB ALA 12 -9.533 16.475 -8.171 83 2HB ALA 12 2HB ALA 12 -9.869 15.366 -9.515 84 3HB ALA 12 3HB ALA 12 -9.312 14.722 -7.950 85 H PHE 13 H PHE 13 -6.499 14.021 -7.720 86 HA PHE 13 HA PHE 13 -5.726 15.790 -5.478 87 1HB PHE 13 1HB PHE 13 -6.243 13.517 -4.950 88 2HB PHE 13 2HB PHE 13 -5.162 12.861 -6.152 89 HD1 PHE 13 HD1 PHE 13 -2.722 12.633 -5.635 90 HD2 PHE 13 HD2 PHE 13 -5.369 14.483 -2.788 91 HE1 PHE 13 HE1 PHE 13 -0.994 12.450 -3.891 92 HE2 PHE 13 HE2 PHE 13 -3.628 14.294 -1.061 93 HZ PHE 13 HZ PHE 13 -1.442 13.277 -1.605 94 H LEU 14 H LEU 14 -4.009 14.175 -8.152 95 HA LEU 14 HA LEU 14 -1.344 15.460 -7.459 96 1HB LEU 14 1HB LEU 14 -1.837 13.695 -9.905 97 2HB LEU 14 2HB LEU 14 -0.329 14.015 -9.076 98 HG LEU 14 HG LEU 14 -2.492 12.574 -7.494 99 1HD1 LEU 14 1HD1 LEU 14 -1.860 10.365 -8.470 100 2HD1 LEU 14 2HD1 LEU 14 -2.575 11.415 -9.707 101 3HD1 LEU 14 3HD1 LEU 14 -0.812 11.164 -9.670 102 1HD2 LEU 14 1HD2 LEU 14 0.581 12.230 -7.626 103 2HD2 LEU 14 2HD2 LEU 14 -0.325 13.086 -6.353 104 3HD2 LEU 14 3HD2 LEU 14 -0.519 11.337 -6.545 105 H SER 15 H SER 15 -0.140 16.371 -9.378 106 HA SER 15 HA SER 15 -1.952 18.140 -11.115 107 1HB SER 15 1HB SER 15 0.867 18.995 -10.369 108 2HB SER 15 2HB SER 15 -0.526 19.979 -10.826 109 HG SER 15 HG SER 15 -1.411 18.835 -8.764 110 H GLU 16 H GLU 16 0.092 19.170 -12.706 111 HA GLU 16 HA GLU 16 0.520 16.928 -14.655 112 1HB GLU 16 1HB GLU 16 1.100 19.928 -14.886 113 2HB GLU 16 2HB GLU 16 -0.335 19.098 -15.454 114 1HG GLU 16 1HG GLU 16 0.870 17.996 -17.254 115 2HG GLU 16 2HG GLU 16 2.436 18.315 -16.527 116 H GLU 17 H GLU 17 2.380 19.000 -12.511 117 HA GLU 17 HA GLU 17 5.071 18.198 -13.576 118 1HB GLU 17 1HB GLU 17 4.177 20.421 -12.161 119 2HB GLU 17 2HB GLU 17 5.030 19.538 -10.910 120 1HG GLU 17 1HG GLU 17 6.975 19.402 -12.821 121 2HG GLU 17 2HG GLU 17 6.123 20.795 -13.465 122 H MET 18 H MET 18 2.954 17.442 -10.851 123 HA MET 18 HA MET 18 4.786 15.718 -9.316 124 1HB MET 18 1HB MET 18 1.840 16.315 -9.221 125 2HB MET 18 2HB MET 18 2.296 14.726 -8.636 126 1HG MET 18 1HG MET 18 3.840 15.709 -6.945 127 2HG MET 18 2HG MET 18 3.556 17.336 -7.586 128 1HE MET 18 1HE MET 18 2.457 18.699 -5.757 129 2HE MET 18 2HE MET 18 1.395 17.994 -4.503 130 3HE MET 18 3HE MET 18 3.076 17.409 -4.678 131 H ILE 19 H ILE 19 2.552 15.220 -11.994 132 HA ILE 19 HA ILE 19 2.406 12.304 -11.987 133 HB ILE 19 HB ILE 19 1.776 14.427 -14.033 134 1HG1 ILE 19 1HG1 ILE 19 -0.456 13.740 -13.778 135 2HG1 ILE 19 2HG1 ILE 19 -0.043 12.069 -13.454 136 1HG2 ILE 19 1HG2 ILE 19 1.244 12.751 -15.820 137 2HG2 ILE 19 2HG2 ILE 19 2.968 12.723 -15.456 138 3HG2 ILE 19 3HG2 ILE 19 1.916 11.438 -14.822 139 1HD1 ILE 19 1HD1 ILE 19 0.202 14.340 -11.393 140 2HD1 ILE 19 2HD1 ILE 19 -0.986 13.021 -11.424 141 3HD1 ILE 19 3HD1 ILE 19 0.729 12.656 -11.120 142 H ALA 20 H ALA 20 4.683 14.639 -13.348 143 HA ALA 20 HA ALA 20 6.232 12.979 -15.122 144 1HB ALA 20 1HB ALA 20 8.040 14.676 -14.874 145 2HB ALA 20 2HB ALA 20 6.453 15.445 -15.067 146 3HB ALA 20 3HB ALA 20 7.223 15.385 -13.461 147 H GLU 21 H GLU 21 6.284 13.270 -11.621 148 HA GLU 21 HA GLU 21 8.796 11.925 -11.007 149 1HB GLU 21 1HB GLU 21 7.128 13.256 -9.450 150 2HB GLU 21 2HB GLU 21 6.366 11.700 -9.180 151 1HG GLU 21 1HG GLU 21 8.281 10.805 -8.044 152 2HG GLU 21 2HG GLU 21 9.392 11.946 -8.781 153 H PHE 22 H PHE 22 5.457 10.709 -11.369 154 HA PHE 22 HA PHE 22 6.365 7.821 -11.290 155 1HB PHE 22 1HB PHE 22 3.480 8.396 -11.914 156 2HB PHE 22 2HB PHE 22 4.195 7.216 -10.850 157 HD1 PHE 22 HD1 PHE 22 2.460 10.363 -10.919 158 HD2 PHE 22 HD2 PHE 22 5.342 8.156 -8.605 159 HE1 PHE 22 HE1 PHE 22 1.801 11.601 -8.899 160 HE2 PHE 22 HE2 PHE 22 4.678 9.416 -6.598 161 HZ PHE 22 HZ PHE 22 2.872 11.098 -6.728 162 H LYS 23 H LYS 23 6.866 9.905 -13.542 163 HA LYS 23 HA LYS 23 5.700 8.511 -15.978 164 1HB LYS 23 1HB LYS 23 7.115 11.097 -15.482 165 2HB LYS 23 2HB LYS 23 7.705 10.262 -16.902 166 1HG LYS 23 1HG LYS 23 5.384 10.193 -17.864 167 2HG LYS 23 2HG LYS 23 4.753 10.935 -16.404 168 1HD LYS 23 1HD LYS 23 6.742 12.781 -17.139 169 2HD LYS 23 2HD LYS 23 5.007 12.955 -17.430 170 1HE LYS 23 1HE LYS 23 5.518 11.485 -19.640 171 2HE LYS 23 2HE LYS 23 5.798 13.232 -19.632 172 1HZ LYS 23 1HZ LYS 23 8.082 12.924 -19.456 173 2HZ LYS 23 2HZ LYS 23 7.661 11.653 -20.423 174 3HZ LYS 23 3HZ LYS 23 7.977 11.402 -18.821 175 H ALA 24 H ALA 24 8.740 8.921 -14.205 176 HA ALA 24 HA ALA 24 10.493 7.515 -16.116 177 1HB ALA 24 1HB ALA 24 12.196 7.611 -14.306 178 2HB ALA 24 2HB ALA 24 11.396 9.179 -14.521 179 3HB ALA 24 3HB ALA 24 10.966 8.144 -13.135 180 H ALA 25 H ALA 25 9.508 6.585 -12.798 181 HA ALA 25 HA ALA 25 10.498 3.915 -12.708 182 1HB ALA 25 1HB ALA 25 8.860 3.489 -10.884 183 2HB ALA 25 2HB ALA 25 9.622 5.081 -10.707 184 3HB ALA 25 3HB ALA 25 7.951 4.958 -11.315 185 H PHE 26 H PHE 26 7.505 5.143 -14.103 186 HA PHE 26 HA PHE 26 6.023 2.631 -14.436 187 1HB PHE 26 1HB PHE 26 4.803 4.719 -14.660 188 2HB PHE 26 2HB PHE 26 5.798 5.276 -15.978 189 HD1 PHE 26 HD1 PHE 26 5.847 3.255 -18.028 190 HD2 PHE 26 HD2 PHE 26 2.634 4.105 -15.296 191 HE1 PHE 26 HE1 PHE 26 4.243 2.193 -19.566 192 HE2 PHE 26 HE2 PHE 26 1.038 3.089 -16.872 193 HZ PHE 26 HZ PHE 26 1.842 2.101 -18.989 194 H ASP 27 H ASP 27 8.180 4.461 -16.605 195 HA ASP 27 HA ASP 27 8.195 2.628 -18.893 196 1HB ASP 27 1HB ASP 27 9.129 5.085 -18.753 197 2HB ASP 27 2HB ASP 27 10.603 4.357 -18.156 198 H MET 28 H MET 28 10.021 2.795 -15.879 199 HA MET 28 HA MET 28 12.177 0.957 -16.326 200 1HB MET 28 1HB MET 28 11.429 2.314 -14.102 201 2HB MET 28 2HB MET 28 10.760 0.755 -13.655 202 1HG MET 28 1HG MET 28 13.718 1.354 -14.272 203 2HG MET 28 2HG MET 28 13.090 -0.290 -14.074 204 1HE MET 28 1HE MET 28 11.167 2.499 -12.137 205 2HE MET 28 2HE MET 28 12.169 2.777 -10.681 206 3HE MET 28 3HE MET 28 12.752 3.324 -12.281 207 H PHE 29 H PHE 29 8.809 0.305 -15.391 208 HA PHE 29 HA PHE 29 9.063 -2.659 -15.253 209 1HB PHE 29 1HB PHE 29 6.530 -2.653 -15.219 210 2HB PHE 29 2HB PHE 29 6.527 -0.932 -15.494 211 HD1 PHE 29 HD1 PHE 29 5.071 -1.436 -13.223 212 HD2 PHE 29 HD2 PHE 29 9.370 -1.506 -13.437 213 HE1 PHE 29 HE1 PHE 29 5.210 -1.097 -10.789 214 HE2 PHE 29 HE2 PHE 29 9.485 -1.159 -11.003 215 HZ PHE 29 HZ PHE 29 7.412 -0.962 -9.676 216 H ASP 30 H ASP 30 8.125 -0.238 -17.651 217 HA ASP 30 HA ASP 30 7.054 -1.986 -19.740 218 1HB ASP 30 1HB ASP 30 6.986 0.662 -19.551 219 2HB ASP 30 2HB ASP 30 8.501 0.609 -20.423 220 H ALA 31 H ALA 31 8.109 -2.491 -21.781 221 HA ALA 31 HA ALA 31 11.113 -3.087 -21.535 222 1HB ALA 31 1HB ALA 31 10.700 -5.263 -22.688 223 2HB ALA 31 2HB ALA 31 9.812 -5.151 -21.156 224 3HB ALA 31 3HB ALA 31 8.947 -4.955 -22.703 225 H ASP 32 H ASP 32 8.349 -2.607 -23.725 226 HA ASP 32 HA ASP 32 10.115 -2.000 -26.111 227 1HB ASP 32 1HB ASP 32 8.406 -2.970 -27.200 228 2HB ASP 32 2HB ASP 32 7.568 -1.447 -27.016 229 H GLY 33 H GLY 33 7.168 -0.325 -25.021 230 1HA GLY 33 1HA GLY 33 7.397 2.062 -23.973 231 2HA GLY 33 2HA GLY 33 8.671 2.333 -25.140 232 H GLY 34 H GLY 34 5.297 1.115 -25.161 233 1HA GLY 34 1HA GLY 34 3.655 1.469 -27.048 234 2HA GLY 34 2HA GLY 34 4.631 2.840 -27.590 235 H GLY 35 H GLY 35 2.740 1.753 -24.774 236 1HA GLY 35 1HA GLY 35 2.493 4.249 -23.333 237 2HA GLY 35 2HA GLY 35 1.167 4.253 -24.503 238 H ASP 36 H ASP 36 2.623 1.527 -22.745 239 HA ASP 36 HA ASP 36 0.687 1.249 -20.597 240 1HB ASP 36 1HB ASP 36 -1.171 0.675 -21.796 241 2HB ASP 36 2HB ASP 36 -0.478 -0.920 -21.620 242 H ILE 37 H ILE 37 0.588 -1.361 -20.111 243 HA ILE 37 HA ILE 37 3.346 -2.595 -20.556 244 HB ILE 37 HB ILE 37 2.261 -3.178 -17.871 245 1HG1 ILE 37 1HG1 ILE 37 2.618 -0.306 -18.557 246 2HG1 ILE 37 2HG1 ILE 37 1.833 -1.052 -17.178 247 1HG2 ILE 37 1HG2 ILE 37 4.640 -3.141 -17.229 248 2HG2 ILE 37 2HG2 ILE 37 4.440 -4.053 -18.732 249 3HG2 ILE 37 3HG2 ILE 37 5.095 -2.398 -18.782 250 1HD1 ILE 37 1HD1 ILE 37 4.860 -0.538 -17.390 251 2HD1 ILE 37 2HD1 ILE 37 3.684 0.311 -16.363 252 3HD1 ILE 37 3HD1 ILE 37 4.068 -1.395 -16.041 253 H SER 38 H SER 38 3.173 -4.923 -19.385 254 HA SER 38 HA SER 38 0.569 -6.305 -20.042 255 1HB SER 38 1HB SER 38 2.095 -6.051 -22.206 256 2HB SER 38 2HB SER 38 1.193 -7.534 -21.889 257 HG SER 38 HG SER 38 3.294 -8.008 -22.399 258 H THR 39 H THR 39 1.239 -8.848 -19.947 259 HA THR 39 HA THR 39 2.198 -9.288 -17.129 260 HB THR 39 HB THR 39 1.598 -11.803 -17.837 261 HG1 THR 39 HG1 THR 39 0.916 -11.800 -19.770 262 1HG2 THR 39 1HG2 THR 39 -0.701 -11.513 -17.025 263 2HG2 THR 39 2HG2 THR 39 0.378 -10.484 -16.056 264 3HG2 THR 39 3HG2 THR 39 -0.651 -9.760 -17.321 265 H LYS 40 H LYS 40 3.390 -9.622 -20.372 266 HA LYS 40 HA LYS 40 5.542 -11.617 -19.684 267 1HB LYS 40 1HB LYS 40 4.404 -10.659 -22.197 268 2HB LYS 40 2HB LYS 40 6.123 -10.383 -22.262 269 1HG LYS 40 1HG LYS 40 5.640 -12.539 -23.209 270 2HG LYS 40 2HG LYS 40 6.453 -12.851 -21.696 271 1HD LYS 40 1HD LYS 40 4.787 -14.466 -21.475 272 2HD LYS 40 2HD LYS 40 3.983 -13.113 -20.735 273 1HE LYS 40 1HE LYS 40 3.533 -13.662 -23.699 274 2HE LYS 40 2HE LYS 40 2.602 -14.508 -22.469 275 1HZ LYS 40 1HZ LYS 40 2.763 -11.533 -22.595 276 2HZ LYS 40 2HZ LYS 40 1.676 -12.442 -21.745 277 3HZ LYS 40 3HZ LYS 40 1.609 -12.403 -23.395 278 H GLU 41 H GLU 41 5.093 -8.150 -20.144 279 HA GLU 41 HA GLU 41 8.005 -7.449 -20.012 280 1HB GLU 41 1HB GLU 41 7.476 -5.422 -20.789 281 2HB GLU 41 2HB GLU 41 6.206 -5.166 -19.612 282 1HG GLU 41 1HG GLU 41 5.901 -6.668 -22.286 283 2HG GLU 41 2HG GLU 41 4.642 -6.582 -21.072 284 H LEU 42 H LEU 42 5.160 -7.292 -17.899 285 HA LEU 42 HA LEU 42 6.307 -5.713 -15.705 286 1HB LEU 42 1HB LEU 42 3.987 -7.730 -15.708 287 2HB LEU 42 2HB LEU 42 3.863 -6.002 -15.955 288 HG LEU 42 HG LEU 42 4.926 -7.175 -13.319 289 1HD1 LEU 42 1HD1 LEU 42 1.996 -6.391 -13.871 290 2HD1 LEU 42 2HD1 LEU 42 2.580 -8.062 -13.855 291 3HD1 LEU 42 3HD1 LEU 42 2.665 -7.081 -12.370 292 1HD2 LEU 42 1HD2 LEU 42 4.359 -4.979 -12.341 293 2HD2 LEU 42 2HD2 LEU 42 5.366 -4.697 -13.783 294 3HD2 LEU 42 3HD2 LEU 42 3.614 -4.433 -13.866 295 H GLY 43 H GLY 43 6.205 -9.165 -16.458 296 1HA GLY 43 1HA GLY 43 7.359 -11.086 -15.530 297 2HA GLY 43 2HA GLY 43 6.984 -10.363 -13.961 298 H THR 44 H THR 44 8.904 -8.673 -16.353 299 HA THR 44 HA THR 44 11.561 -9.619 -15.610 300 HB THR 44 HB THR 44 10.659 -7.115 -17.091 301 HG1 THR 44 HG1 THR 44 12.340 -8.733 -18.353 302 1HG2 THR 44 1HG2 THR 44 13.037 -6.685 -17.736 303 2HG2 THR 44 2HG2 THR 44 12.787 -6.425 -15.997 304 3HG2 THR 44 3HG2 THR 44 13.590 -7.910 -16.567 305 H VAL 45 H VAL 45 9.855 -6.593 -14.763 306 HA VAL 45 HA VAL 45 11.899 -5.473 -13.009 307 HB VAL 45 HB VAL 45 9.124 -4.770 -13.716 308 1HG1 VAL 45 1HG1 VAL 45 8.613 -3.353 -11.727 309 2HG1 VAL 45 2HG1 VAL 45 8.672 -5.059 -11.266 310 3HG1 VAL 45 3HG1 VAL 45 10.039 -3.994 -10.869 311 1HG2 VAL 45 1HG2 VAL 45 11.518 -3.015 -12.854 312 2HG2 VAL 45 2HG2 VAL 45 11.087 -3.437 -14.527 313 3HG2 VAL 45 3HG2 VAL 45 9.993 -2.429 -13.569 314 H MET 46 H MET 46 9.200 -7.693 -12.496 315 HA MET 46 HA MET 46 9.130 -7.708 -9.569 316 1HB MET 46 1HB MET 46 8.153 -10.181 -10.040 317 2HB MET 46 2HB MET 46 8.088 -9.607 -11.696 318 1HG MET 46 1HG MET 46 6.889 -7.473 -10.241 319 2HG MET 46 2HG MET 46 6.059 -8.697 -11.215 320 1HE MET 46 1HE MET 46 4.866 -7.122 -8.560 321 2HE MET 46 2HE MET 46 5.046 -8.015 -7.021 322 3HE MET 46 3HE MET 46 6.449 -7.156 -7.721 323 NH1 ARG 47 NH1 ARG 47 16.770 -9.182 -15.508 324 NH2 ARG 47 NH2 ARG 47 18.542 -10.409 -14.787 325 H ARG 47 H ARG 47 10.989 -9.487 -11.981 326 HA ARG 47 HA ARG 47 12.131 -11.612 -10.361 327 1HB ARG 47 1HB ARG 47 12.437 -10.689 -13.057 328 2HB ARG 47 2HB ARG 47 12.942 -12.213 -12.341 329 1HG ARG 47 1HG ARG 47 14.719 -9.717 -12.126 330 2HG ARG 47 2HG ARG 47 15.166 -11.395 -11.815 331 1HD ARG 47 1HD ARG 47 14.489 -11.791 -14.395 332 2HD ARG 47 2HD ARG 47 14.651 -10.046 -14.515 333 HE ARG 47 HE ARG 47 16.985 -11.753 -13.552 334 1HH1 ARG 47 1HH1 ARG 47 15.755 -9.036 -15.492 335 2HH1 ARG 47 2HH1 ARG 47 17.463 -8.628 -16.025 336 1HH2 ARG 47 1HH2 ARG 47 18.880 -11.196 -14.222 337 2HH2 ARG 47 2HH2 ARG 47 19.110 -9.770 -15.353 338 H MET 48 H MET 48 13.112 -8.262 -10.921 339 HA MET 48 HA MET 48 15.794 -8.205 -9.902 340 1HB MET 48 1HB MET 48 14.838 -5.761 -8.950 341 2HB MET 48 2HB MET 48 13.664 -6.127 -10.200 342 1HG MET 48 1HG MET 48 15.174 -5.809 -11.939 343 2HG MET 48 2HG MET 48 16.533 -6.518 -11.051 344 1HE MET 48 1HE MET 48 13.955 -3.570 -9.999 345 2HE MET 48 2HE MET 48 14.944 -2.150 -10.449 346 3HE MET 48 3HE MET 48 14.356 -3.264 -11.718 347 H LEU 49 H LEU 49 12.709 -8.259 -8.194 348 HA LEU 49 HA LEU 49 13.397 -7.630 -5.495 349 1HB LEU 49 1HB LEU 49 11.598 -9.316 -4.791 350 2HB LEU 49 2HB LEU 49 11.459 -9.813 -6.463 351 HG LEU 49 HG LEU 49 10.410 -7.805 -7.155 352 1HD1 LEU 49 1HD1 LEU 49 8.547 -7.394 -5.545 353 2HD1 LEU 49 2HD1 LEU 49 8.907 -9.127 -5.657 354 3HD1 LEU 49 3HD1 LEU 49 9.459 -8.197 -4.242 355 1HD2 LEU 49 1HD2 LEU 49 11.414 -6.380 -4.599 356 2HD2 LEU 49 2HD2 LEU 49 12.029 -6.126 -6.251 357 3HD2 LEU 49 3HD2 LEU 49 10.371 -5.656 -5.849 358 H GLY 50 H GLY 50 13.013 -11.030 -6.491 359 1HA GLY 50 1HA GLY 50 15.696 -11.931 -5.482 360 2HA GLY 50 2HA GLY 50 14.394 -12.287 -4.338 361 H GLN 51 H GLN 51 12.298 -13.042 -5.713 362 HA GLN 51 HA GLN 51 13.087 -15.757 -6.768 363 1HB GLN 51 1HB GLN 51 10.698 -16.327 -6.590 364 2HB GLN 51 2HB GLN 51 11.326 -15.669 -5.091 365 1HG GLN 51 1HG GLN 51 9.976 -13.696 -6.957 366 2HG GLN 51 2HG GLN 51 10.039 -13.703 -5.209 367 1HE2 GLN 51 1HE2 GLN 51 6.637 -14.835 -5.327 368 2HE2 GLN 51 2HE2 GLN 51 7.882 -13.632 -4.717 369 H ASN 52 H ASN 52 11.391 -16.480 -8.585 370 HA ASN 52 HA ASN 52 11.062 -14.490 -10.791 371 1HB ASN 52 1HB ASN 52 13.569 -15.301 -10.683 372 2HB ASN 52 2HB ASN 52 12.995 -16.796 -11.389 373 1HD2 ASN 52 1HD2 ASN 52 14.086 -14.222 -14.045 374 2HD2 ASN 52 2HD2 ASN 52 14.824 -14.755 -12.451 375 HA PRO 53 HA PRO 53 8.070 -18.155 -10.931 376 1HB PRO 53 1HB PRO 53 5.747 -16.803 -11.553 377 2HB PRO 53 2HB PRO 53 6.472 -16.840 -9.939 378 1HG PRO 53 1HG PRO 53 6.677 -14.621 -12.027 379 2HG PRO 53 2HG PRO 53 6.346 -14.461 -10.287 380 1HD PRO 53 1HD PRO 53 8.677 -14.637 -9.742 381 2HD PRO 53 2HD PRO 53 8.897 -14.130 -11.444 382 H THR 54 H THR 54 6.313 -18.687 -12.744 383 HA THR 54 HA THR 54 7.757 -18.633 -15.404 384 HB THR 54 HB THR 54 6.722 -20.768 -14.226 385 HG1 THR 54 HG1 THR 54 7.151 -21.613 -16.043 386 1HG2 THR 54 1HG2 THR 54 4.528 -21.468 -15.127 387 2HG2 THR 54 2HG2 THR 54 4.330 -20.009 -14.130 388 3HG2 THR 54 3HG2 THR 54 4.294 -19.886 -15.907 389 H LYS 55 H LYS 55 5.705 -18.920 -17.169 390 HA LYS 55 HA LYS 55 4.885 -16.086 -17.557 391 1HB LYS 55 1HB LYS 55 5.619 -17.887 -19.371 392 2HB LYS 55 2HB LYS 55 3.948 -18.412 -19.325 393 1HG LYS 55 1HG LYS 55 4.231 -15.466 -19.689 394 2HG LYS 55 2HG LYS 55 5.016 -16.391 -20.957 395 1HD LYS 55 1HD LYS 55 2.773 -16.008 -21.776 396 2HD LYS 55 2HD LYS 55 2.058 -16.282 -20.195 397 1HE LYS 55 1HE LYS 55 3.178 -18.787 -20.686 398 2HE LYS 55 2HE LYS 55 1.489 -18.363 -20.950 399 1HZ LYS 55 1HZ LYS 55 3.671 -18.583 -22.927 400 2HZ LYS 55 2HZ LYS 55 2.394 -17.595 -23.273 401 3HZ LYS 55 3HZ LYS 55 2.141 -19.203 -22.988 402 H GLU 56 H GLU 56 3.149 -19.199 -17.259 403 HA GLU 56 HA GLU 56 0.438 -18.133 -17.269 404 1HB GLU 56 1HB GLU 56 0.967 -20.697 -15.766 405 2HB GLU 56 2HB GLU 56 1.454 -20.650 -17.449 406 1HG GLU 56 1HG GLU 56 -1.339 -19.630 -16.971 407 2HG GLU 56 2HG GLU 56 -0.733 -20.688 -18.233 408 H GLU 57 H GLU 57 2.799 -18.717 -14.713 409 HA GLU 57 HA GLU 57 1.006 -18.408 -12.385 410 1HB GLU 57 1HB GLU 57 3.967 -18.649 -12.760 411 2HB GLU 57 2HB GLU 57 2.864 -19.569 -11.760 412 1HG GLU 57 1HG GLU 57 4.682 -17.989 -10.633 413 2HG GLU 57 2HG GLU 57 3.577 -16.670 -10.996 414 H LEU 58 H LEU 58 3.042 -16.232 -14.290 415 HA LEU 58 HA LEU 58 2.695 -13.798 -12.694 416 1HB LEU 58 1HB LEU 58 3.979 -14.572 -15.197 417 2HB LEU 58 2HB LEU 58 3.060 -13.107 -15.474 418 HG LEU 58 HG LEU 58 4.832 -13.194 -12.997 419 1HD1 LEU 58 1HD1 LEU 58 4.444 -10.938 -15.074 420 2HD1 LEU 58 2HD1 LEU 58 3.434 -11.114 -13.631 421 3HD1 LEU 58 3HD1 LEU 58 5.178 -10.799 -13.456 422 1HD2 LEU 58 1HD2 LEU 58 6.893 -12.714 -14.265 423 2HD2 LEU 58 2HD2 LEU 58 6.218 -14.256 -14.848 424 3HD2 LEU 58 3HD2 LEU 58 6.016 -12.783 -15.814 425 H ASP 59 H ASP 59 0.884 -15.342 -15.300 426 HA ASP 59 HA ASP 59 -1.012 -13.205 -15.934 427 1HB ASP 59 1HB ASP 59 -2.497 -15.082 -16.857 428 2HB ASP 59 2HB ASP 59 -1.307 -16.236 -16.301 429 H ALA 60 H ALA 60 -0.898 -15.698 -13.455 430 HA ALA 60 HA ALA 60 -3.574 -15.396 -12.288 431 1HB ALA 60 1HB ALA 60 -2.597 -16.468 -10.264 432 2HB ALA 60 2HB ALA 60 -2.123 -17.325 -11.743 433 3HB ALA 60 3HB ALA 60 -0.952 -16.269 -10.913 434 H ILE 61 H ILE 61 -0.447 -13.817 -11.656 435 HA ILE 61 HA ILE 61 -1.110 -12.269 -9.307 436 HB ILE 61 HB ILE 61 1.077 -12.230 -11.290 437 1HG1 ILE 61 1HG1 ILE 61 2.178 -12.865 -9.407 438 2HG1 ILE 61 2HG1 ILE 61 0.732 -12.616 -8.452 439 1HG2 ILE 61 1HG2 ILE 61 1.923 -9.915 -10.812 440 2HG2 ILE 61 2HG2 ILE 61 0.378 -9.848 -11.657 441 3HG2 ILE 61 3HG2 ILE 61 0.436 -9.539 -9.906 442 1HD1 ILE 61 1HD1 ILE 61 1.331 -10.264 -7.939 443 2HD1 ILE 61 2HD1 ILE 61 2.665 -11.359 -7.517 444 3HD1 ILE 61 3HD1 ILE 61 2.766 -10.375 -8.996 445 H ILE 62 H ILE 62 -1.367 -11.461 -12.772 446 HA ILE 62 HA ILE 62 -2.498 -8.751 -12.413 447 HB ILE 62 HB ILE 62 -2.438 -10.587 -14.859 448 1HG1 ILE 62 1HG1 ILE 62 -0.539 -8.574 -13.711 449 2HG1 ILE 62 2HG1 ILE 62 -0.237 -9.916 -14.794 450 1HG2 ILE 62 1HG2 ILE 62 -3.157 -8.623 -16.249 451 2HG2 ILE 62 2HG2 ILE 62 -4.417 -9.048 -15.093 452 3HG2 ILE 62 3HG2 ILE 62 -3.377 -7.639 -14.781 453 1HD1 ILE 62 1HD1 ILE 62 -1.264 -7.161 -15.702 454 2HD1 ILE 62 2HD1 ILE 62 0.349 -7.861 -15.956 455 3HD1 ILE 62 3HD1 ILE 62 -1.061 -8.576 -16.772 456 H GLU 63 H GLU 63 -3.769 -12.026 -12.747 457 HA GLU 63 HA GLU 63 -6.548 -11.692 -13.162 458 1HB GLU 63 1HB GLU 63 -5.698 -13.642 -10.997 459 2HB GLU 63 2HB GLU 63 -5.074 -13.862 -12.620 460 1HG GLU 63 1HG GLU 63 -7.028 -15.258 -12.464 461 2HG GLU 63 2HG GLU 63 -7.978 -14.024 -11.655 462 H GLU 64 H GLU 64 -4.783 -11.430 -10.070 463 HA GLU 64 HA GLU 64 -6.913 -10.913 -8.226 464 1HB GLU 64 1HB GLU 64 -3.987 -10.367 -8.269 465 2HB GLU 64 2HB GLU 64 -4.884 -9.245 -7.265 466 1HG GLU 64 1HG GLU 64 -4.099 -11.127 -5.894 467 2HG GLU 64 2HG GLU 64 -5.853 -11.158 -5.948 468 H VAL 65 H VAL 65 -4.823 -8.312 -9.509 469 HA VAL 65 HA VAL 65 -6.794 -6.158 -9.173 470 HB VAL 65 HB VAL 65 -4.158 -6.033 -9.421 471 1HG1 VAL 65 1HG1 VAL 65 -5.872 -3.745 -10.585 472 2HG1 VAL 65 2HG1 VAL 65 -5.785 -4.127 -8.856 473 3HG1 VAL 65 3HG1 VAL 65 -4.319 -3.609 -9.722 474 1HG2 VAL 65 1HG2 VAL 65 -3.282 -5.296 -11.582 475 2HG2 VAL 65 2HG2 VAL 65 -4.144 -6.824 -11.885 476 3HG2 VAL 65 3HG2 VAL 65 -4.901 -5.286 -12.324 477 H ASP 66 H ASP 66 -6.800 -4.814 -11.603 478 HA ASP 66 HA ASP 66 -7.762 -4.720 -13.820 479 1HB ASP 66 1HB ASP 66 -8.308 -7.680 -14.023 480 2HB ASP 66 2HB ASP 66 -6.626 -7.215 -13.915 481 H GLU 67 H GLU 67 -9.239 -3.806 -12.104 482 HA GLU 67 HA GLU 67 -11.803 -5.247 -11.502 483 1HB GLU 67 1HB GLU 67 -12.214 -2.480 -11.028 484 2HB GLU 67 2HB GLU 67 -10.523 -2.734 -10.640 485 1HG GLU 67 1HG GLU 67 -12.582 -4.686 -9.493 486 2HG GLU 67 2HG GLU 67 -11.013 -4.237 -8.847 487 H ASP 68 H ASP 68 -10.491 -3.073 -13.917 488 HA ASP 68 HA ASP 68 -13.123 -2.346 -15.152 489 1HB ASP 68 1HB ASP 68 -11.853 -0.578 -15.738 490 2HB ASP 68 2HB ASP 68 -11.367 -1.572 -17.093 491 H GLY 69 H GLY 69 -10.281 -3.727 -16.808 492 1HA GLY 69 1HA GLY 69 -12.100 -5.745 -18.247 493 2HA GLY 69 2HA GLY 69 -10.587 -6.298 -17.515 494 H SER 70 H SER 70 -8.845 -6.314 -18.694 495 HA SER 70 HA SER 70 -8.745 -5.381 -21.517 496 1HB SER 70 1HB SER 70 -8.461 -3.170 -20.718 497 2HB SER 70 2HB SER 70 -6.833 -3.706 -21.143 498 HG SER 70 HG SER 70 -7.454 -2.683 -18.957 499 H GLY 71 H GLY 71 -6.649 -5.948 -18.660 500 1HA GLY 71 1HA GLY 71 -5.186 -7.970 -18.342 501 2HA GLY 71 2HA GLY 71 -5.242 -8.243 -20.088 502 H THR 72 H THR 72 -4.716 -5.078 -18.671 503 HA THR 72 HA THR 72 -1.728 -5.132 -19.042 504 HB THR 72 HB THR 72 -1.637 -3.169 -20.563 505 HG1 THR 72 HG1 THR 72 -3.447 -2.585 -21.684 506 1HG2 THR 72 1HG2 THR 72 -2.133 -4.272 -22.707 507 2HG2 THR 72 2HG2 THR 72 -1.374 -5.452 -21.617 508 3HG2 THR 72 3HG2 THR 72 -3.130 -5.513 -21.918 509 H ILE 73 H ILE 73 -0.969 -2.701 -18.671 510 HA ILE 73 HA ILE 73 -2.608 -1.331 -16.499 511 HB ILE 73 HB ILE 73 0.309 -2.136 -16.034 512 1HG1 ILE 73 1HG1 ILE 73 -0.350 -3.872 -14.584 513 2HG1 ILE 73 2HG1 ILE 73 -1.511 -4.035 -15.885 514 1HG2 ILE 73 1HG2 ILE 73 0.048 -1.168 -13.753 515 2HG2 ILE 73 2HG2 ILE 73 -0.321 0.068 -14.964 516 3HG2 ILE 73 3HG2 ILE 73 -1.645 -0.729 -14.081 517 1HD1 ILE 73 1HD1 ILE 73 -3.305 -2.925 -14.582 518 2HD1 ILE 73 2HD1 ILE 73 -2.606 -4.279 -13.670 519 3HD1 ILE 73 3HD1 ILE 73 -2.168 -2.608 -13.243 520 H ASP 74 H ASP 74 -2.978 0.350 -17.840 521 HA ASP 74 HA ASP 74 -0.892 1.689 -19.481 522 1HB ASP 74 1HB ASP 74 -3.475 3.140 -18.853 523 2HB ASP 74 2HB ASP 74 -2.538 3.100 -20.329 524 H PHE 75 H PHE 75 -1.116 4.318 -19.135 525 HA PHE 75 HA PHE 75 0.404 4.890 -16.637 526 1HB PHE 75 1HB PHE 75 0.831 5.980 -18.932 527 2HB PHE 75 2HB PHE 75 -0.620 6.920 -18.709 528 HD1 PHE 75 HD1 PHE 75 1.501 6.158 -15.734 529 HD2 PHE 75 HD2 PHE 75 0.656 9.054 -18.804 530 HE1 PHE 75 HE1 PHE 75 2.791 7.855 -14.504 531 HE2 PHE 75 HE2 PHE 75 1.957 10.735 -17.560 532 HZ PHE 75 HZ PHE 75 3.021 10.142 -15.412 533 H GLU 76 H GLU 76 -2.841 5.446 -17.903 534 HA GLU 76 HA GLU 76 -3.794 7.332 -15.853 535 1HB GLU 76 1HB GLU 76 -4.777 6.718 -18.253 536 2HB GLU 76 2HB GLU 76 -5.729 7.444 -16.977 537 1HG GLU 76 1HG GLU 76 -5.715 4.420 -17.577 538 2HG GLU 76 2HG GLU 76 -6.723 5.229 -16.396 539 H GLU 77 H GLU 77 -3.850 3.819 -16.211 540 HA GLU 77 HA GLU 77 -5.475 3.314 -13.737 541 1HB GLU 77 1HB GLU 77 -5.868 1.716 -15.413 542 2HB GLU 77 2HB GLU 77 -4.175 1.516 -15.800 543 1HG GLU 77 1HG GLU 77 -5.514 0.509 -13.207 544 2HG GLU 77 2HG GLU 77 -3.807 0.312 -13.588 545 H PHE 78 H PHE 78 -2.102 3.358 -14.710 546 HA PHE 78 HA PHE 78 -0.881 2.059 -12.415 547 1HB PHE 78 1HB PHE 78 0.269 4.257 -14.243 548 2HB PHE 78 2HB PHE 78 0.375 2.538 -14.523 549 HD1 PHE 78 HD1 PHE 78 2.105 5.363 -13.240 550 HD2 PHE 78 HD2 PHE 78 1.535 1.181 -12.404 551 HE1 PHE 78 HE1 PHE 78 4.218 5.316 -11.977 552 HE2 PHE 78 HE2 PHE 78 3.656 1.150 -11.156 553 HZ PHE 78 HZ PHE 78 4.994 3.215 -10.930 554 H LEU 79 H LEU 79 -1.902 5.391 -13.018 555 HA LEU 79 HA LEU 79 -0.821 6.625 -10.560 556 1HB LEU 79 1HB LEU 79 -2.861 8.317 -11.111 557 2HB LEU 79 2HB LEU 79 -2.880 7.464 -12.638 558 HG LEU 79 HG LEU 79 -0.271 8.020 -12.729 559 1HD1 LEU 79 1HD1 LEU 79 -0.777 10.157 -13.915 560 2HD1 LEU 79 2HD1 LEU 79 -1.971 8.913 -14.332 561 3HD1 LEU 79 3HD1 LEU 79 -2.403 10.208 -13.188 562 1HD2 LEU 79 1HD2 LEU 79 -1.238 10.204 -10.761 563 2HD2 LEU 79 2HD2 LEU 79 -0.015 8.954 -10.423 564 3HD2 LEU 79 3HD2 LEU 79 0.318 10.205 -11.629 565 H VAL 80 H VAL 80 -3.996 5.300 -11.490 566 HA VAL 80 HA VAL 80 -5.505 5.836 -9.060 567 HB VAL 80 HB VAL 80 -5.832 3.621 -11.136 568 1HG1 VAL 80 1HG1 VAL 80 -7.646 6.055 -10.604 569 2HG1 VAL 80 2HG1 VAL 80 -6.341 6.068 -11.798 570 3HG1 VAL 80 3HG1 VAL 80 -7.697 4.933 -11.988 571 1HG2 VAL 80 1HG2 VAL 80 -8.012 3.015 -10.193 572 2HG2 VAL 80 2HG2 VAL 80 -6.814 2.837 -8.890 573 3HG2 VAL 80 3HG2 VAL 80 -7.880 4.250 -8.916 574 H MET 81 H MET 81 -3.065 3.451 -9.878 575 HA MET 81 HA MET 81 -3.374 1.485 -7.781 576 1HB MET 81 1HB MET 81 -1.509 1.864 -9.824 577 2HB MET 81 2HB MET 81 -0.531 2.173 -8.400 578 1HG MET 81 1HG MET 81 -0.332 -0.201 -8.965 579 2HG MET 81 2HG MET 81 -1.224 -0.081 -7.438 580 1HE MET 81 1HE MET 81 -0.998 -2.251 -10.162 581 2HE MET 81 2HE MET 81 -2.547 -2.352 -11.052 582 3HE MET 81 3HE MET 81 -1.452 -0.968 -11.329 583 H MET 82 H MET 82 -0.900 4.069 -7.736 584 HA MET 82 HA MET 82 -0.191 3.846 -4.963 585 1HB MET 82 1HB MET 82 1.041 5.867 -5.171 586 2HB MET 82 2HB MET 82 1.143 5.050 -6.719 587 1HG MET 82 1HG MET 82 0.013 6.710 -7.871 588 2HG MET 82 2HG MET 82 -1.125 7.020 -6.555 589 1HE MET 82 1HE MET 82 2.407 7.135 -4.821 590 2HE MET 82 2HE MET 82 3.221 8.466 -5.696 591 3HE MET 82 3HE MET 82 2.852 6.937 -6.547 592 H VAL 83 H VAL 83 -2.761 5.706 -6.508 593 HA VAL 83 HA VAL 83 -3.399 7.501 -4.266 594 HB VAL 83 HB VAL 83 -4.610 6.928 -6.930 595 1HG1 VAL 83 1HG1 VAL 83 -6.785 8.066 -6.444 596 2HG1 VAL 83 2HG1 VAL 83 -6.661 6.549 -5.543 597 3HG1 VAL 83 3HG1 VAL 83 -6.406 8.096 -4.703 598 1HG2 VAL 83 1HG2 VAL 83 -4.271 9.558 -5.341 599 2HG2 VAL 83 2HG2 VAL 83 -3.157 8.944 -6.584 600 3HG2 VAL 83 3HG2 VAL 83 -4.799 9.421 -7.038 601 NH1 ARG 84 NH1 ARG 84 -6.013 -1.713 -5.163 602 NH2 ARG 84 NH2 ARG 84 -7.917 -2.350 -4.099 603 H ARG 84 H ARG 84 -4.469 4.298 -5.276 604 HA ARG 84 HA ARG 84 -6.898 3.976 -3.665 605 1HB ARG 84 1HB ARG 84 -5.367 2.328 -5.452 606 2HB ARG 84 2HB ARG 84 -5.408 1.458 -3.926 607 1HG ARG 84 1HG ARG 84 -8.022 2.601 -5.008 608 2HG ARG 84 2HG ARG 84 -7.783 1.246 -3.902 609 1HD ARG 84 1HD ARG 84 -8.023 1.178 -6.800 610 2HD ARG 84 2HD ARG 84 -6.400 0.605 -6.410 611 HE ARG 84 HE ARG 84 -8.974 -0.787 -5.779 612 1HH1 ARG 84 1HH1 ARG 84 -5.564 -1.072 -5.826 613 2HH1 ARG 84 2HH1 ARG 84 -5.562 -2.472 -4.640 614 1HH2 ARG 84 1HH2 ARG 84 -8.930 -2.233 -3.993 615 2HH2 ARG 84 2HH2 ARG 84 -7.321 -3.025 -3.607 616 H GLN 85 H GLN 85 -3.473 3.186 -3.040 617 HA GLN 85 HA GLN 85 -3.946 2.022 -0.332 618 1HB GLN 85 1HB GLN 85 -1.504 2.580 -2.041 619 2HB GLN 85 2HB GLN 85 -1.269 2.425 -0.310 620 1HG GLN 85 1HG GLN 85 -1.473 0.325 -2.233 621 2HG GLN 85 2HG GLN 85 -2.970 0.219 -1.334 622 1HE2 GLN 85 1HE2 GLN 85 0.484 -0.186 0.978 623 2HE2 GLN 85 2HE2 GLN 85 0.367 1.126 -0.300 624 H MET 86 H MET 86 -3.003 5.128 -1.699 625 HA MET 86 HA MET 86 -1.882 6.530 0.531 626 1HB MET 86 1HB MET 86 -2.905 7.300 -2.066 627 2HB MET 86 2HB MET 86 -3.627 8.380 -0.888 628 1HG MET 86 1HG MET 86 -0.955 8.495 -1.977 629 2HG MET 86 2HG MET 86 -0.778 8.143 -0.250 630 1HE MET 86 1HE MET 86 -4.058 9.911 -1.620 631 2HE MET 86 2HE MET 86 -3.581 11.635 -1.634 632 3HE MET 86 3HE MET 86 -2.862 10.502 -2.816 633 H LYS 87 H LYS 87 -5.238 5.787 -0.241 634 HA LYS 87 HA LYS 87 -6.787 7.416 1.508 635 1HB LYS 87 1HB LYS 87 -8.200 5.152 1.898 636 2HB LYS 87 2HB LYS 87 -7.145 4.519 0.643 637 1HG LYS 87 1HG LYS 87 -8.028 7.023 -0.401 638 2HG LYS 87 2HG LYS 87 -8.471 5.416 -0.954 639 1HD LYS 87 1HD LYS 87 -10.383 7.082 -0.329 640 2HD LYS 87 2HD LYS 87 -10.510 5.414 0.218 641 1HE LYS 87 1HE LYS 87 -10.164 5.957 2.507 642 2HE LYS 87 2HE LYS 87 -9.222 7.409 2.145 643 1HZ LYS 87 1HZ LYS 87 -11.566 7.756 2.970 644 2HZ LYS 87 2HZ LYS 87 -12.117 7.236 1.501 645 3HZ LYS 87 3HZ LYS 87 -11.176 8.591 1.599 646 H GLU 88 H GLU 88 -7.170 7.536 3.628 647 HA GLU 88 HA GLU 88 -5.187 6.678 5.595 648 1HB GLU 88 1HB GLU 88 -6.656 8.685 5.851 649 2HB GLU 88 2HB GLU 88 -6.546 7.676 7.281 650 1HG GLU 88 1HG GLU 88 -8.917 7.332 5.362 651 2HG GLU 88 2HG GLU 88 -8.816 6.887 7.056 652 H ASP 89 H ASP 89 -4.840 4.535 5.611 653 HA ASP 89 HA ASP 89 -7.148 2.656 6.348 654 1HB ASP 89 1HB ASP 89 -5.851 2.365 4.039 655 2HB ASP 89 2HB ASP 89 -6.408 0.995 4.972 656 H ALA 90 H ALA 90 -6.614 0.925 7.772 657 HA ALA 90 HA ALA 90 -4.643 1.729 9.952 658 1HB ALA 90 1HB ALA 90 -5.862 0.078 11.393 659 2HB ALA 90 2HB ALA 90 -6.993 1.250 10.687 660 3HB ALA 90 3HB ALA 90 -6.896 -0.400 10.024 Start of MODEL 27 Raw file had 660 H/Q atoms Start of MODEL 27 1 1H ALA 1 1H ALA 1 -17.151 3.293 -16.651 2 2H ALA 1 2H ALA 1 -16.918 2.207 -15.389 3 3H ALA 1 3H ALA 1 -15.919 2.152 -16.740 4 HA ALA 1 HA ALA 1 -17.394 1.142 -18.060 5 1HB ALA 1 1HB ALA 1 -18.859 -0.390 -16.287 6 2HB ALA 1 2HB ALA 1 -17.606 0.223 -15.192 7 3HB ALA 1 3HB ALA 1 -17.143 -0.693 -16.649 8 H SER 2 H SER 2 -19.263 2.212 -15.192 9 HA SER 2 HA SER 2 -21.383 3.490 -16.983 10 1HB SER 2 1HB SER 2 -21.959 1.036 -16.307 11 2HB SER 2 2HB SER 2 -22.240 1.670 -14.683 12 HG SER 2 HG SER 2 -23.748 1.854 -16.900 13 H MET 3 H MET 3 -20.403 2.825 -13.605 14 HA MET 3 HA MET 3 -20.300 5.722 -12.858 15 1HB MET 3 1HB MET 3 -22.745 5.378 -12.828 16 2HB MET 3 2HB MET 3 -22.593 4.000 -11.754 17 1HG MET 3 1HG MET 3 -22.893 5.452 -10.018 18 2HG MET 3 2HG MET 3 -21.265 6.067 -10.327 19 1HE MET 3 1HE MET 3 -25.238 8.220 -10.941 20 2HE MET 3 2HE MET 3 -24.859 6.729 -10.029 21 3HE MET 3 3HE MET 3 -25.153 6.643 -11.790 22 H THR 4 H THR 4 -18.167 4.771 -12.504 23 HA THR 4 HA THR 4 -17.816 3.787 -9.678 24 HB THR 4 HB THR 4 -17.011 2.097 -12.055 25 HG1 THR 4 HG1 THR 4 -18.317 0.718 -11.148 26 1HG2 THR 4 1HG2 THR 4 -16.022 0.474 -10.285 27 2HG2 THR 4 2HG2 THR 4 -15.852 1.883 -9.214 28 3HG2 THR 4 3HG2 THR 4 -14.984 1.832 -10.770 29 H ASP 5 H ASP 5 -16.981 5.914 -9.479 30 HA ASP 5 HA ASP 5 -14.418 6.686 -10.864 31 1HB ASP 5 1HB ASP 5 -14.567 8.817 -9.857 32 2HB ASP 5 2HB ASP 5 -15.516 8.251 -8.502 33 H GLN 6 H GLN 6 -13.332 4.753 -10.157 34 HA GLN 6 HA GLN 6 -12.647 4.358 -7.234 35 1HB GLN 6 1HB GLN 6 -12.462 2.727 -9.704 36 2HB GLN 6 2HB GLN 6 -12.697 2.248 -8.033 37 1HG GLN 6 1HG GLN 6 -10.326 2.183 -7.572 38 2HG GLN 6 2HG GLN 6 -9.917 3.106 -9.000 39 1HE2 GLN 6 1HE2 GLN 6 -9.217 0.041 -10.690 40 2HE2 GLN 6 2HE2 GLN 6 -8.627 1.667 -10.077 41 H GLN 7 H GLN 7 -10.903 4.965 -10.301 42 HA GLN 7 HA GLN 7 -8.321 5.669 -8.921 43 1HB GLN 7 1HB GLN 7 -7.464 5.007 -10.910 44 2HB GLN 7 2HB GLN 7 -8.060 6.516 -11.586 45 1HG GLN 7 1HG GLN 7 -8.706 4.512 -12.950 46 2HG GLN 7 2HG GLN 7 -9.653 3.878 -11.613 47 1HE2 GLN 7 1HE2 GLN 7 -11.078 7.467 -13.222 48 2HE2 GLN 7 2HE2 GLN 7 -9.300 7.261 -12.818 49 H ALA 8 H ALA 8 -11.034 7.287 -10.501 50 HA ALA 8 HA ALA 8 -10.185 9.956 -10.902 51 1HB ALA 8 1HB ALA 8 -12.535 10.668 -10.491 52 2HB ALA 8 2HB ALA 8 -12.468 9.183 -11.460 53 3HB ALA 8 3HB ALA 8 -12.911 9.101 -9.736 54 H GLU 9 H GLU 9 -10.852 8.304 -7.867 55 HA GLU 9 HA GLU 9 -10.975 10.621 -6.069 56 1HB GLU 9 1HB GLU 9 -10.559 7.633 -5.588 57 2HB GLU 9 2HB GLU 9 -10.228 8.765 -4.285 58 1HG GLU 9 1HG GLU 9 -12.750 7.669 -4.900 59 2HG GLU 9 2HG GLU 9 -12.889 9.297 -5.552 60 H ALA 10 H ALA 10 -8.384 8.157 -6.181 61 HA ALA 10 HA ALA 10 -6.413 9.513 -4.620 62 1HB ALA 10 1HB ALA 10 -4.726 8.024 -5.685 63 2HB ALA 10 2HB ALA 10 -6.201 7.132 -5.266 64 3HB ALA 10 3HB ALA 10 -5.881 7.575 -6.963 65 NH1 ARG 11 NH1 ARG 11 -8.501 13.133 -15.021 66 NH2 ARG 11 NH2 ARG 11 -7.243 15.023 -14.957 67 H ARG 11 H ARG 11 -7.239 9.887 -8.019 68 HA ARG 11 HA ARG 11 -4.888 11.322 -9.020 69 1HB ARG 11 1HB ARG 11 -6.264 10.506 -10.747 70 2HB ARG 11 2HB ARG 11 -7.751 11.011 -9.960 71 1HG ARG 11 1HG ARG 11 -7.418 13.361 -10.538 72 2HG ARG 11 2HG ARG 11 -5.774 13.067 -11.112 73 1HD ARG 11 1HD ARG 11 -7.014 11.311 -12.770 74 2HD ARG 11 2HD ARG 11 -8.420 12.331 -12.461 75 HE ARG 11 HE ARG 11 -5.824 13.636 -13.410 76 1HH1 ARG 11 1HH1 ARG 11 -8.689 12.202 -14.631 77 2HH1 ARG 11 2HH1 ARG 11 -8.998 13.585 -15.796 78 1HH2 ARG 11 1HH2 ARG 11 -6.461 15.529 -14.528 79 2HH2 ARG 11 2HH2 ARG 11 -7.838 15.349 -15.727 80 H ALA 12 H ALA 12 -8.082 12.538 -7.964 81 HA ALA 12 HA ALA 12 -7.478 15.404 -8.177 82 1HB ALA 12 1HB ALA 12 -9.548 15.768 -6.850 83 2HB ALA 12 2HB ALA 12 -9.809 14.573 -8.136 84 3HB ALA 12 3HB ALA 12 -9.632 14.036 -6.447 85 H PHE 13 H PHE 13 -7.019 12.998 -5.649 86 HA PHE 13 HA PHE 13 -6.521 14.735 -3.369 87 1HB PHE 13 1HB PHE 13 -5.449 11.898 -3.863 88 2HB PHE 13 2HB PHE 13 -7.044 12.267 -3.262 89 HD1 PHE 13 HD1 PHE 13 -5.669 10.531 -1.542 90 HD2 PHE 13 HD2 PHE 13 -5.081 14.788 -1.792 91 HE1 PHE 13 HE1 PHE 13 -4.769 10.554 0.749 92 HE2 PHE 13 HE2 PHE 13 -4.178 14.788 0.495 93 HZ PHE 13 HZ PHE 13 -4.022 12.677 1.771 94 H LEU 14 H LEU 14 -4.388 13.299 -5.824 95 HA LEU 14 HA LEU 14 -1.896 14.605 -4.658 96 1HB LEU 14 1HB LEU 14 -1.967 12.803 -7.131 97 2HB LEU 14 2HB LEU 14 -0.591 13.205 -6.128 98 HG LEU 14 HG LEU 14 -2.900 11.677 -4.846 99 1HD1 LEU 14 1HD1 LEU 14 -1.949 9.500 -5.611 100 2HD1 LEU 14 2HD1 LEU 14 -2.504 10.462 -6.994 101 3HD1 LEU 14 3HD1 LEU 14 -0.762 10.347 -6.637 102 1HD2 LEU 14 1HD2 LEU 14 0.162 11.566 -4.419 103 2HD2 LEU 14 2HD2 LEU 14 -1.015 12.381 -3.361 104 3HD2 LEU 14 3HD2 LEU 14 -1.047 10.618 -3.517 105 H SER 15 H SER 15 -0.714 16.098 -5.757 106 HA SER 15 HA SER 15 -2.124 17.736 -7.871 107 1HB SER 15 1HB SER 15 -0.874 19.535 -7.177 108 2HB SER 15 2HB SER 15 0.587 18.589 -6.882 109 HG SER 15 HG SER 15 -0.713 19.440 -5.049 110 H GLU 16 H GLU 16 -0.148 18.818 -9.309 111 HA GLU 16 HA GLU 16 0.598 16.696 -11.254 112 1HB GLU 16 1HB GLU 16 -0.122 18.751 -12.201 113 2HB GLU 16 2HB GLU 16 0.949 19.724 -11.212 114 1HG GLU 16 1HG GLU 16 2.129 19.819 -13.210 115 2HG GLU 16 2HG GLU 16 2.893 18.387 -12.542 116 H GLU 17 H GLU 17 2.201 18.631 -8.800 117 HA GLU 17 HA GLU 17 5.004 17.916 -9.589 118 1HB GLU 17 1HB GLU 17 4.683 20.076 -8.562 119 2HB GLU 17 2HB GLU 17 5.742 19.102 -7.561 120 1HG GLU 17 1HG GLU 17 4.070 18.835 -5.832 121 2HG GLU 17 2HG GLU 17 2.748 19.267 -6.902 122 H MET 18 H MET 18 2.553 16.842 -7.293 123 HA MET 18 HA MET 18 4.246 14.883 -5.820 124 1HB MET 18 1HB MET 18 1.883 13.945 -5.115 125 2HB MET 18 2HB MET 18 1.231 15.359 -5.922 126 1HG MET 18 1HG MET 18 3.402 15.747 -3.795 127 2HG MET 18 2HG MET 18 2.165 16.890 -4.343 128 1HE MET 18 1HE MET 18 2.078 17.080 -1.465 129 2HE MET 18 2HE MET 18 1.460 15.730 -0.468 130 3HE MET 18 3HE MET 18 3.057 15.593 -1.261 131 H ILE 19 H ILE 19 2.099 14.862 -8.619 132 HA ILE 19 HA ILE 19 1.805 11.950 -8.938 133 HB ILE 19 HB ILE 19 1.134 14.347 -10.603 134 1HG1 ILE 19 1HG1 ILE 19 -0.588 11.844 -10.498 135 2HG1 ILE 19 2HG1 ILE 19 -0.346 12.684 -8.981 136 1HG2 ILE 19 1HG2 ILE 19 0.665 13.036 -12.689 137 2HG2 ILE 19 2HG2 ILE 19 2.390 13.007 -12.327 138 3HG2 ILE 19 3HG2 ILE 19 1.392 11.581 -11.965 139 1HD1 ILE 19 1HD1 ILE 19 -1.587 13.966 -11.488 140 2HD1 ILE 19 2HD1 ILE 19 -2.406 13.507 -9.981 141 3HD1 ILE 19 3HD1 ILE 19 -1.225 14.837 -9.972 142 H ALA 20 H ALA 20 4.164 14.362 -9.975 143 HA ALA 20 HA ALA 20 5.642 12.831 -11.957 144 1HB ALA 20 1HB ALA 20 7.462 14.500 -11.619 145 2HB ALA 20 2HB ALA 20 5.875 15.285 -11.734 146 3HB ALA 20 3HB ALA 20 6.669 15.112 -10.148 147 H GLU 21 H GLU 21 5.777 12.915 -8.442 148 HA GLU 21 HA GLU 21 8.408 11.690 -8.029 149 1HB GLU 21 1HB GLU 21 7.578 11.217 -5.680 150 2HB GLU 21 2HB GLU 21 5.995 11.809 -6.141 151 1HG GLU 21 1HG GLU 21 7.019 14.084 -6.666 152 2HG GLU 21 2HG GLU 21 8.595 13.475 -6.191 153 H PHE 22 H PHE 22 5.181 10.427 -8.613 154 HA PHE 22 HA PHE 22 5.958 7.566 -7.994 155 1HB PHE 22 1HB PHE 22 3.212 8.616 -8.907 156 2HB PHE 22 2HB PHE 22 3.574 7.029 -8.284 157 HD1 PHE 22 HD1 PHE 22 5.654 8.436 -6.115 158 HD2 PHE 22 HD2 PHE 22 1.458 8.725 -7.030 159 HE1 PHE 22 HE1 PHE 22 5.214 9.322 -3.864 160 HE2 PHE 22 HE2 PHE 22 1.037 9.602 -4.769 161 HZ PHE 22 HZ PHE 22 2.910 9.907 -3.185 162 H LYS 23 H LYS 23 5.452 9.710 -10.702 163 HA LYS 23 HA LYS 23 4.863 7.682 -12.805 164 1HB LYS 23 1HB LYS 23 4.720 9.425 -14.312 165 2HB LYS 23 2HB LYS 23 4.379 10.290 -12.831 166 1HG LYS 23 1HG LYS 23 6.953 10.896 -12.802 167 2HG LYS 23 2HG LYS 23 5.841 11.745 -13.863 168 1HD LYS 23 1HD LYS 23 8.144 10.922 -14.847 169 2HD LYS 23 2HD LYS 23 7.411 9.314 -14.898 170 1HE LYS 23 1HE LYS 23 7.082 11.486 -16.808 171 2HE LYS 23 2HE LYS 23 5.498 11.207 -16.069 172 1HZ LYS 23 1HZ LYS 23 7.080 8.882 -16.976 173 2HZ LYS 23 2HZ LYS 23 6.262 9.789 -18.089 174 3HZ LYS 23 3HZ LYS 23 5.440 9.048 -16.863 175 H ALA 24 H ALA 24 7.733 9.294 -11.517 176 HA ALA 24 HA ALA 24 9.754 8.485 -13.450 177 1HB ALA 24 1HB ALA 24 11.402 8.867 -11.627 178 2HB ALA 24 2HB ALA 24 10.207 10.176 -11.698 179 3HB ALA 24 3HB ALA 24 10.097 8.940 -10.419 180 H ALA 25 H ALA 25 8.625 6.918 -10.441 181 HA ALA 25 HA ALA 25 10.340 4.517 -10.664 182 1HB ALA 25 1HB ALA 25 9.026 3.662 -8.732 183 2HB ALA 25 2HB ALA 25 9.546 5.336 -8.465 184 3HB ALA 25 3HB ALA 25 7.853 4.990 -8.900 185 H PHE 26 H PHE 26 7.128 5.402 -11.754 186 HA PHE 26 HA PHE 26 5.853 2.805 -12.071 187 1HB PHE 26 1HB PHE 26 4.330 4.551 -12.306 188 2HB PHE 26 2HB PHE 26 5.375 5.536 -13.294 189 HD1 PHE 26 HD1 PHE 26 2.884 2.786 -13.290 190 HD2 PHE 26 HD2 PHE 26 5.522 5.080 -15.797 191 HE1 PHE 26 HE1 PHE 26 1.656 2.035 -15.287 192 HE2 PHE 26 HE2 PHE 26 4.284 4.316 -17.783 193 HZ PHE 26 HZ PHE 26 2.340 2.811 -17.532 194 H ASP 27 H ASP 27 7.882 4.738 -14.268 195 HA ASP 27 HA ASP 27 7.834 2.988 -16.604 196 1HB ASP 27 1HB ASP 27 10.005 4.117 -17.290 197 2HB ASP 27 2HB ASP 27 10.038 4.946 -15.751 198 H MET 28 H MET 28 9.817 3.056 -13.683 199 HA MET 28 HA MET 28 11.914 1.184 -14.382 200 1HB MET 28 1HB MET 28 11.526 2.607 -12.131 201 2HB MET 28 2HB MET 28 10.802 1.116 -11.556 202 1HG MET 28 1HG MET 28 12.932 -0.143 -11.995 203 2HG MET 28 2HG MET 28 13.677 1.322 -12.655 204 1HE MET 28 1HE MET 28 11.937 3.409 -10.574 205 2HE MET 28 2HE MET 28 13.229 3.732 -9.380 206 3HE MET 28 3HE MET 28 13.609 3.744 -11.128 207 H PHE 29 H PHE 29 8.670 0.647 -13.029 208 HA PHE 29 HA PHE 29 8.896 -2.300 -12.761 209 1HB PHE 29 1HB PHE 29 6.329 -0.602 -12.862 210 2HB PHE 29 2HB PHE 29 6.418 -2.278 -12.392 211 HD1 PHE 29 HD1 PHE 29 9.407 -1.107 -11.055 212 HD2 PHE 29 HD2 PHE 29 5.171 -0.645 -10.440 213 HE1 PHE 29 HE1 PHE 29 9.811 -0.373 -8.741 214 HE2 PHE 29 HE2 PHE 29 5.598 0.077 -8.127 215 HZ PHE 29 HZ PHE 29 7.912 0.239 -7.282 216 H ASP 30 H ASP 30 7.778 -0.029 -15.215 217 HA ASP 30 HA ASP 30 6.386 -1.853 -17.008 218 1HB ASP 30 1HB ASP 30 7.797 0.784 -17.710 219 2HB ASP 30 2HB ASP 30 6.138 0.606 -17.188 220 H ALA 31 H ALA 31 9.427 -0.289 -17.970 221 HA ALA 31 HA ALA 31 11.506 -1.178 -18.838 222 1HB ALA 31 1HB ALA 31 12.037 -3.592 -18.491 223 2HB ALA 31 2HB ALA 31 11.446 -2.829 -17.002 224 3HB ALA 31 3HB ALA 31 10.377 -3.908 -17.934 225 H ASP 32 H ASP 32 8.884 -0.853 -20.270 226 HA ASP 32 HA ASP 32 9.531 -2.498 -22.772 227 1HB ASP 32 1HB ASP 32 6.844 -1.885 -21.551 228 2HB ASP 32 2HB ASP 32 6.948 -1.724 -23.289 229 H GLY 33 H GLY 33 7.398 0.303 -22.277 230 1HA GLY 33 1HA GLY 33 9.258 2.099 -23.930 231 2HA GLY 33 2HA GLY 33 7.600 1.880 -24.444 232 H GLY 34 H GLY 34 6.073 2.080 -22.291 233 1HA GLY 34 1HA GLY 34 6.133 3.502 -20.016 234 2HA GLY 34 2HA GLY 34 6.689 4.818 -21.059 235 H GLY 35 H GLY 35 4.036 2.464 -20.754 236 1HA GLY 35 1HA GLY 35 1.951 4.565 -21.489 237 2HA GLY 35 2HA GLY 35 2.097 3.183 -22.582 238 H ASP 36 H ASP 36 2.631 1.118 -20.861 239 HA ASP 36 HA ASP 36 0.784 0.967 -18.528 240 1HB ASP 36 1HB ASP 36 -0.510 -1.066 -19.748 241 2HB ASP 36 2HB ASP 36 -1.112 0.575 -19.702 242 H ILE 37 H ILE 37 1.134 -0.861 -17.321 243 HA ILE 37 HA ILE 37 3.569 -2.544 -18.036 244 HB ILE 37 HB ILE 37 2.404 -3.021 -15.358 245 1HG1 ILE 37 1HG1 ILE 37 3.767 -0.288 -15.783 246 2HG1 ILE 37 2HG1 ILE 37 2.048 -0.503 -15.517 247 1HG2 ILE 37 1HG2 ILE 37 4.770 -3.118 -14.675 248 2HG2 ILE 37 2HG2 ILE 37 4.539 -4.046 -16.164 249 3HG2 ILE 37 3HG2 ILE 37 5.296 -2.437 -16.234 250 1HD1 ILE 37 1HD1 ILE 37 4.229 -1.215 -13.465 251 2HD1 ILE 37 2HD1 ILE 37 3.078 0.138 -13.401 252 3HD1 ILE 37 3HD1 ILE 37 2.486 -1.532 -13.247 253 H SER 38 H SER 38 2.919 -4.741 -16.360 254 HA SER 38 HA SER 38 0.301 -5.933 -17.252 255 1HB SER 38 1HB SER 38 2.214 -7.885 -18.156 256 2HB SER 38 2HB SER 38 2.677 -6.342 -18.878 257 HG SER 38 HG SER 38 0.921 -7.814 -19.804 258 H THR 39 H THR 39 0.926 -8.584 -16.847 259 HA THR 39 HA THR 39 1.195 -8.733 -13.855 260 HB THR 39 HB THR 39 0.856 -11.331 -14.447 261 HG1 THR 39 HG1 THR 39 0.005 -11.692 -16.304 262 1HG2 THR 39 1HG2 THR 39 -1.576 -11.091 -14.206 263 2HG2 THR 39 2HG2 THR 39 -0.779 -9.935 -13.113 264 3HG2 THR 39 3HG2 THR 39 -1.510 -9.366 -14.637 265 H LYS 40 H LYS 40 2.884 -9.898 -16.762 266 HA LYS 40 HA LYS 40 4.981 -11.454 -15.399 267 1HB LYS 40 1HB LYS 40 4.927 -10.217 -18.201 268 2HB LYS 40 2HB LYS 40 4.364 -11.819 -17.802 269 1HG LYS 40 1HG LYS 40 7.160 -10.680 -18.120 270 2HG LYS 40 2HG LYS 40 7.011 -11.922 -16.905 271 1HD LYS 40 1HD LYS 40 6.222 -13.586 -18.633 272 2HD LYS 40 2HD LYS 40 6.160 -12.308 -19.810 273 1HE LYS 40 1HE LYS 40 8.730 -11.969 -19.417 274 2HE LYS 40 2HE LYS 40 8.705 -13.562 -18.674 275 1HZ LYS 40 1HZ LYS 40 9.078 -13.199 -21.252 276 2HZ LYS 40 2HZ LYS 40 7.430 -13.282 -21.312 277 3HZ LYS 40 3HZ LYS 40 8.299 -14.545 -20.697 278 H GLU 41 H GLU 41 4.924 -8.208 -16.913 279 HA GLU 41 HA GLU 41 7.626 -7.364 -16.326 280 1HB GLU 41 1HB GLU 41 6.922 -5.057 -16.718 281 2HB GLU 41 2HB GLU 41 5.235 -5.478 -16.520 282 1HG GLU 41 1HG GLU 41 7.074 -6.279 -18.852 283 2HG GLU 41 2HG GLU 41 5.520 -7.041 -18.594 284 H LEU 42 H LEU 42 4.608 -6.767 -14.510 285 HA LEU 42 HA LEU 42 5.763 -5.168 -12.339 286 1HB LEU 42 1HB LEU 42 3.269 -6.922 -12.025 287 2HB LEU 42 2HB LEU 42 3.239 -5.489 -13.029 288 HG LEU 42 HG LEU 42 3.189 -4.028 -11.245 289 1HD1 LEU 42 1HD1 LEU 42 1.892 -4.950 -9.306 290 2HD1 LEU 42 2HD1 LEU 42 1.262 -5.552 -10.847 291 3HD1 LEU 42 3HD1 LEU 42 2.266 -6.612 -9.827 292 1HD2 LEU 42 1HD2 LEU 42 4.867 -5.962 -9.507 293 2HD2 LEU 42 2HD2 LEU 42 5.485 -4.537 -10.376 294 3HD2 LEU 42 3HD2 LEU 42 4.339 -4.325 -9.040 295 H GLY 43 H GLY 43 5.262 -8.628 -12.837 296 1HA GLY 43 1HA GLY 43 5.658 -9.680 -10.162 297 2HA GLY 43 2HA GLY 43 5.997 -10.584 -11.643 298 H THR 44 H THR 44 7.940 -8.588 -12.611 299 HA THR 44 HA THR 44 10.357 -9.880 -11.520 300 HB THR 44 HB THR 44 9.860 -7.851 -13.695 301 HG1 THR 44 HG1 THR 44 11.286 -9.446 -14.696 302 1HG2 THR 44 1HG2 THR 44 12.308 -7.594 -14.138 303 2HG2 THR 44 2HG2 THR 44 11.848 -6.821 -12.606 304 3HG2 THR 44 3HG2 THR 44 12.686 -8.394 -12.593 305 H VAL 45 H VAL 45 9.024 -6.583 -11.363 306 HA VAL 45 HA VAL 45 11.226 -5.348 -9.864 307 HB VAL 45 HB VAL 45 8.677 -4.456 -10.935 308 1HG1 VAL 45 1HG1 VAL 45 8.064 -2.701 -9.272 309 2HG1 VAL 45 2HG1 VAL 45 7.856 -4.310 -8.570 310 3HG1 VAL 45 3HG1 VAL 45 9.270 -3.331 -8.119 311 1HG2 VAL 45 1HG2 VAL 45 11.118 -2.824 -9.967 312 2HG2 VAL 45 2HG2 VAL 45 10.879 -3.462 -11.610 313 3HG2 VAL 45 3HG2 VAL 45 9.788 -2.216 -10.988 314 H MET 46 H MET 46 8.152 -6.877 -8.942 315 HA MET 46 HA MET 46 8.187 -6.273 -6.062 316 1HB MET 46 1HB MET 46 6.762 -8.487 -7.639 317 2HB MET 46 2HB MET 46 6.653 -8.359 -5.893 318 1HG MET 46 1HG MET 46 5.234 -6.785 -7.960 319 2HG MET 46 2HG MET 46 6.018 -5.724 -6.777 320 1HE MET 46 1HE MET 46 2.980 -5.460 -6.813 321 2HE MET 46 2HE MET 46 2.505 -5.722 -5.110 322 3HE MET 46 3HE MET 46 3.955 -4.748 -5.490 323 NH1 ARG 47 NH1 ARG 47 8.076 -16.792 -5.580 324 NH2 ARG 47 NH2 ARG 47 6.847 -15.764 -3.968 325 H ARG 47 H ARG 47 8.635 -9.491 -7.534 326 HA ARG 47 HA ARG 47 10.590 -10.348 -5.391 327 1HB ARG 47 1HB ARG 47 9.915 -12.119 -7.766 328 2HB ARG 47 2HB ARG 47 8.633 -11.740 -6.623 329 1HG ARG 47 1HG ARG 47 11.332 -13.014 -5.852 330 2HG ARG 47 2HG ARG 47 10.055 -12.588 -4.712 331 1HD ARG 47 1HD ARG 47 9.196 -14.358 -7.033 332 2HD ARG 47 2HD ARG 47 10.301 -15.080 -5.873 333 HE ARG 47 HE ARG 47 8.116 -13.775 -4.403 334 1HH1 ARG 47 1HH1 ARG 47 8.823 -16.715 -6.279 335 2HH1 ARG 47 2HH1 ARG 47 7.515 -17.624 -5.368 336 1HH2 ARG 47 1HH2 ARG 47 6.655 -14.907 -3.437 337 2HH2 ARG 47 2HH2 ARG 47 6.372 -16.668 -3.870 338 H MET 48 H MET 48 11.570 -8.239 -6.916 339 HA MET 48 HA MET 48 13.495 -9.140 -9.013 340 1HB MET 48 1HB MET 48 12.537 -6.659 -8.381 341 2HB MET 48 2HB MET 48 13.968 -6.968 -9.345 342 1HG MET 48 1HG MET 48 13.831 -5.394 -6.982 343 2HG MET 48 2HG MET 48 14.678 -6.858 -6.458 344 1HE MET 48 1HE MET 48 15.359 -3.432 -7.468 345 2HE MET 48 2HE MET 48 16.380 -3.446 -8.935 346 3HE MET 48 3HE MET 48 14.637 -3.824 -9.059 347 H LEU 49 H LEU 49 13.481 -8.656 -5.518 348 HA LEU 49 HA LEU 49 16.416 -9.435 -5.257 349 1HB LEU 49 1HB LEU 49 16.026 -7.525 -3.940 350 2HB LEU 49 2HB LEU 49 16.043 -8.841 -2.786 351 HG LEU 49 HG LEU 49 14.205 -7.739 -1.959 352 1HD1 LEU 49 1HD1 LEU 49 12.688 -6.238 -3.255 353 2HD1 LEU 49 2HD1 LEU 49 14.385 -5.808 -3.538 354 3HD1 LEU 49 3HD1 LEU 49 13.480 -6.709 -4.781 355 1HD2 LEU 49 1HD2 LEU 49 12.796 -9.260 -4.257 356 2HD2 LEU 49 2HD2 LEU 49 13.212 -9.926 -2.658 357 3HD2 LEU 49 3HD2 LEU 49 12.006 -8.637 -2.786 358 H GLY 50 H GLY 50 15.318 -11.532 -6.173 359 1HA GLY 50 1HA GLY 50 15.573 -13.616 -4.071 360 2HA GLY 50 2HA GLY 50 13.872 -13.405 -4.506 361 H GLN 51 H GLN 51 13.130 -13.944 -6.528 362 HA GLN 51 HA GLN 51 14.983 -15.548 -8.386 363 1HB GLN 51 1HB GLN 51 13.474 -17.416 -8.461 364 2HB GLN 51 2HB GLN 51 12.214 -16.558 -7.594 365 1HG GLN 51 1HG GLN 51 14.902 -17.226 -6.266 366 2HG GLN 51 2HG GLN 51 13.591 -18.383 -6.319 367 1HE2 GLN 51 1HE2 GLN 51 11.516 -15.942 -4.215 368 2HE2 GLN 51 2HE2 GLN 51 11.349 -16.770 -5.843 369 H ASN 52 H ASN 52 12.987 -16.389 -10.103 370 HA ASN 52 HA ASN 52 11.705 -13.820 -11.135 371 1HB ASN 52 1HB ASN 52 12.329 -15.869 -13.230 372 2HB ASN 52 2HB ASN 52 13.760 -15.245 -12.439 373 1HD2 ASN 52 1HD2 ASN 52 13.464 -12.719 -15.033 374 2HD2 ASN 52 2HD2 ASN 52 14.302 -14.256 -14.484 375 HA PRO 53 HA PRO 53 8.158 -16.929 -10.126 376 1HB PRO 53 1HB PRO 53 6.445 -15.509 -9.271 377 2HB PRO 53 2HB PRO 53 6.771 -14.257 -10.479 378 1HG PRO 53 1HG PRO 53 7.832 -13.231 -8.671 379 2HG PRO 53 2HG PRO 53 8.288 -14.754 -7.872 380 1HD PRO 53 1HD PRO 53 10.412 -14.348 -8.917 381 2HD PRO 53 2HD PRO 53 9.707 -13.244 -10.132 382 H THR 54 H THR 54 6.141 -17.275 -11.421 383 HA THR 54 HA THR 54 6.711 -16.998 -14.401 384 HB THR 54 HB THR 54 6.212 -19.297 -13.173 385 HG1 THR 54 HG1 THR 54 5.508 -20.041 -15.138 386 1HG2 THR 54 1HG2 THR 54 3.878 -20.082 -13.407 387 2HG2 THR 54 2HG2 THR 54 3.943 -18.728 -12.255 388 3HG2 THR 54 3HG2 THR 54 3.337 -18.462 -13.910 389 H LYS 55 H LYS 55 4.606 -16.874 -15.718 390 HA LYS 55 HA LYS 55 3.451 -14.212 -15.185 391 1HB LYS 55 1HB LYS 55 2.886 -16.307 -17.367 392 2HB LYS 55 2HB LYS 55 1.989 -14.805 -17.282 393 1HG LYS 55 1HG LYS 55 3.599 -13.663 -18.342 394 2HG LYS 55 2HG LYS 55 4.835 -14.150 -17.195 395 1HD LYS 55 1HD LYS 55 4.041 -15.492 -19.846 396 2HD LYS 55 2HD LYS 55 5.617 -14.920 -19.323 397 1HE LYS 55 1HE LYS 55 5.254 -16.849 -17.415 398 2HE LYS 55 2HE LYS 55 4.255 -17.553 -18.683 399 1HZ LYS 55 1HZ LYS 55 6.241 -18.365 -19.358 400 2HZ LYS 55 2HZ LYS 55 7.140 -17.222 -18.574 401 3HZ LYS 55 3HZ LYS 55 6.487 -16.887 -20.055 402 H GLU 56 H GLU 56 2.259 -17.551 -15.057 403 HA GLU 56 HA GLU 56 -0.564 -16.954 -14.524 404 1HB GLU 56 1HB GLU 56 -0.338 -19.478 -13.507 405 2HB GLU 56 2HB GLU 56 1.143 -19.437 -14.442 406 1HG GLU 56 1HG GLU 56 -1.734 -19.088 -15.482 407 2HG GLU 56 2HG GLU 56 -0.634 -20.416 -15.809 408 H GLU 57 H GLU 57 2.278 -17.498 -12.498 409 HA GLU 57 HA GLU 57 0.993 -17.701 -9.859 410 1HB GLU 57 1HB GLU 57 3.189 -17.127 -8.882 411 2HB GLU 57 2HB GLU 57 3.804 -16.667 -10.455 412 1HG GLU 57 1HG GLU 57 2.743 -19.488 -10.370 413 2HG GLU 57 2HG GLU 57 4.210 -18.866 -11.117 414 H LEU 58 H LEU 58 2.190 -14.993 -11.819 415 HA LEU 58 HA LEU 58 1.769 -12.899 -9.789 416 1HB LEU 58 1HB LEU 58 2.696 -13.049 -12.630 417 2HB LEU 58 2HB LEU 58 1.874 -11.553 -12.233 418 HG LEU 58 HG LEU 58 4.182 -11.113 -11.835 419 1HD1 LEU 58 1HD1 LEU 58 4.493 -13.661 -10.115 420 2HD1 LEU 58 2HD1 LEU 58 4.955 -13.579 -11.821 421 3HD1 LEU 58 3HD1 LEU 58 5.783 -12.546 -10.631 422 1HD2 LEU 58 1HD2 LEU 58 4.347 -10.609 -9.426 423 2HD2 LEU 58 2HD2 LEU 58 2.657 -10.374 -9.937 424 3HD2 LEU 58 3HD2 LEU 58 3.111 -11.832 -9.035 425 H ASP 59 H ASP 59 -0.159 -14.342 -12.339 426 HA ASP 59 HA ASP 59 -2.172 -12.445 -12.943 427 1HB ASP 59 1HB ASP 59 -2.559 -15.475 -12.625 428 2HB ASP 59 2HB ASP 59 -2.075 -14.626 -14.075 429 H ALA 60 H ALA 60 -1.779 -14.363 -10.023 430 HA ALA 60 HA ALA 60 -4.403 -13.738 -8.789 431 1HB ALA 60 1HB ALA 60 -3.447 -14.784 -6.741 432 2HB ALA 60 2HB ALA 60 -3.162 -15.788 -8.176 433 3HB ALA 60 3HB ALA 60 -1.829 -14.830 -7.482 434 H ILE 61 H ILE 61 -1.068 -12.559 -8.337 435 HA ILE 61 HA ILE 61 -1.390 -10.643 -6.235 436 HB ILE 61 HB ILE 61 0.613 -11.100 -8.336 437 1HG1 ILE 61 1HG1 ILE 61 1.833 -11.481 -6.459 438 2HG1 ILE 61 2HG1 ILE 61 0.479 -10.984 -5.467 439 1HG2 ILE 61 1HG2 ILE 61 1.682 -8.827 -8.339 440 2HG2 ILE 61 2HG2 ILE 61 0.082 -8.761 -9.077 441 3HG2 ILE 61 3HG2 ILE 61 0.311 -8.161 -7.418 442 1HD1 ILE 61 1HD1 ILE 61 1.250 -8.628 -5.384 443 2HD1 ILE 61 2HD1 ILE 61 2.546 -9.732 -4.875 444 3HD1 ILE 61 3HD1 ILE 61 2.594 -9.005 -6.497 445 H ILE 62 H ILE 62 -2.175 -10.434 -9.674 446 HA ILE 62 HA ILE 62 -2.939 -7.533 -9.615 447 HB ILE 62 HB ILE 62 -3.265 -9.616 -11.836 448 1HG1 ILE 62 1HG1 ILE 62 -0.973 -9.324 -11.941 449 2HG1 ILE 62 2HG1 ILE 62 -0.997 -7.836 -11.019 450 1HG2 ILE 62 1HG2 ILE 62 -3.750 -7.700 -13.384 451 2HG2 ILE 62 2HG2 ILE 62 -4.977 -7.792 -12.123 452 3HG2 ILE 62 3HG2 ILE 62 -3.701 -6.558 -12.018 453 1HD1 ILE 62 1HD1 ILE 62 -1.596 -6.473 -13.002 454 2HD1 ILE 62 2HD1 ILE 62 -0.157 -7.460 -13.332 455 3HD1 ILE 62 3HD1 ILE 62 -1.731 -7.946 -14.003 456 H GLU 63 H GLU 63 -4.468 -10.717 -9.522 457 HA GLU 63 HA GLU 63 -7.240 -10.167 -9.789 458 1HB GLU 63 1HB GLU 63 -6.209 -12.059 -7.620 459 2HB GLU 63 2HB GLU 63 -6.069 -12.437 -9.326 460 1HG GLU 63 1HG GLU 63 -8.850 -11.651 -8.746 461 2HG GLU 63 2HG GLU 63 -8.238 -13.148 -9.429 462 H GLU 64 H GLU 64 -5.084 -9.503 -7.081 463 HA GLU 64 HA GLU 64 -7.211 -8.506 -5.234 464 1HB GLU 64 1HB GLU 64 -4.660 -7.595 -4.309 465 2HB GLU 64 2HB GLU 64 -4.365 -9.167 -5.027 466 1HG GLU 64 1HG GLU 64 -4.910 -9.912 -2.911 467 2HG GLU 64 2HG GLU 64 -6.552 -9.850 -3.529 468 H VAL 65 H VAL 65 -4.611 -7.097 -7.225 469 HA VAL 65 HA VAL 65 -5.706 -4.284 -6.752 470 HB VAL 65 HB VAL 65 -3.407 -3.648 -7.917 471 1HG1 VAL 65 1HG1 VAL 65 -2.352 -3.431 -5.660 472 2HG1 VAL 65 2HG1 VAL 65 -4.066 -2.978 -5.601 473 3HG1 VAL 65 3HG1 VAL 65 -3.544 -4.556 -4.963 474 1HG2 VAL 65 1HG2 VAL 65 -2.646 -6.408 -6.736 475 2HG2 VAL 65 2HG2 VAL 65 -2.575 -5.943 -8.453 476 3HG2 VAL 65 3HG2 VAL 65 -1.503 -5.158 -7.284 477 H ASP 66 H ASP 66 -7.401 -5.414 -8.256 478 HA ASP 66 HA ASP 66 -7.242 -4.096 -10.910 479 1HB ASP 66 1HB ASP 66 -5.808 -6.242 -11.215 480 2HB ASP 66 2HB ASP 66 -7.294 -7.153 -11.073 481 H GLU 67 H GLU 67 -8.975 -3.461 -9.234 482 HA GLU 67 HA GLU 67 -11.478 -5.142 -9.196 483 1HB GLU 67 1HB GLU 67 -10.394 -3.478 -7.332 484 2HB GLU 67 2HB GLU 67 -11.473 -2.327 -8.099 485 1HG GLU 67 1HG GLU 67 -12.143 -4.809 -6.469 486 2HG GLU 67 2HG GLU 67 -13.272 -4.372 -7.740 487 H ASP 68 H ASP 68 -10.597 -4.346 -11.781 488 HA ASP 68 HA ASP 68 -12.926 -2.639 -12.736 489 1HB ASP 68 1HB ASP 68 -11.749 -0.992 -13.785 490 2HB ASP 68 2HB ASP 68 -10.616 -1.312 -12.491 491 H GLY 69 H GLY 69 -10.101 -4.624 -13.674 492 1HA GLY 69 1HA GLY 69 -11.884 -6.277 -15.546 493 2HA GLY 69 2HA GLY 69 -10.372 -6.851 -14.828 494 H SER 70 H SER 70 -8.495 -6.547 -15.828 495 HA SER 70 HA SER 70 -8.420 -5.637 -18.677 496 1HB SER 70 1HB SER 70 -8.306 -3.419 -17.859 497 2HB SER 70 2HB SER 70 -6.635 -3.838 -18.244 498 HG SER 70 HG SER 70 -6.189 -4.093 -16.131 499 H GLY 71 H GLY 71 -6.479 -6.248 -15.734 500 1HA GLY 71 1HA GLY 71 -4.998 -8.297 -15.518 501 2HA GLY 71 2HA GLY 71 -4.760 -8.256 -17.271 502 H THR 72 H THR 72 -4.403 -5.371 -17.390 503 HA THR 72 HA THR 72 -1.467 -5.278 -16.631 504 HB THR 72 HB THR 72 -1.428 -3.204 -18.158 505 HG1 THR 72 HG1 THR 72 -3.161 -3.405 -19.757 506 1HG2 THR 72 1HG2 THR 72 -1.293 -4.465 -20.268 507 2HG2 THR 72 2HG2 THR 72 -0.521 -5.416 -18.980 508 3HG2 THR 72 3HG2 THR 72 -2.145 -5.860 -19.568 509 H ILE 73 H ILE 73 -0.630 -3.097 -15.970 510 HA ILE 73 HA ILE 73 -2.485 -1.687 -13.972 511 HB ILE 73 HB ILE 73 0.406 -2.569 -13.542 512 1HG1 ILE 73 1HG1 ILE 73 -1.783 -4.032 -12.937 513 2HG1 ILE 73 2HG1 ILE 73 -1.885 -2.962 -11.556 514 1HG2 ILE 73 1HG2 ILE 73 0.490 -1.228 -11.444 515 2HG2 ILE 73 2HG2 ILE 73 0.199 -0.154 -12.819 516 3HG2 ILE 73 3HG2 ILE 73 -1.144 -0.586 -11.732 517 1HD1 ILE 73 1HD1 ILE 73 0.354 -3.628 -10.724 518 2HD1 ILE 73 2HD1 ILE 73 -0.675 -5.053 -10.983 519 3HD1 ILE 73 3HD1 ILE 73 0.604 -4.662 -12.158 520 H ASP 74 H ASP 74 -2.979 -0.092 -15.402 521 HA ASP 74 HA ASP 74 -0.942 1.426 -16.963 522 1HB ASP 74 1HB ASP 74 -3.673 2.645 -16.595 523 2HB ASP 74 2HB ASP 74 -2.661 2.545 -18.017 524 H PHE 75 H PHE 75 -0.920 3.868 -16.759 525 HA PHE 75 HA PHE 75 0.204 4.715 -14.199 526 1HB PHE 75 1HB PHE 75 0.492 5.771 -16.604 527 2HB PHE 75 2HB PHE 75 -0.955 6.677 -16.250 528 HD1 PHE 75 HD1 PHE 75 0.877 6.061 -13.187 529 HD2 PHE 75 HD2 PHE 75 0.806 8.625 -16.643 530 HE1 PHE 75 HE1 PHE 75 2.138 7.776 -11.954 531 HE2 PHE 75 HE2 PHE 75 2.075 10.325 -15.392 532 HZ PHE 75 HZ PHE 75 2.725 9.914 -13.046 533 H GLU 76 H GLU 76 -3.050 4.663 -15.503 534 HA GLU 76 HA GLU 76 -4.205 6.382 -13.281 535 1HB GLU 76 1HB GLU 76 -4.956 5.795 -16.035 536 2HB GLU 76 2HB GLU 76 -5.367 7.135 -14.990 537 1HG GLU 76 1HG GLU 76 -6.957 4.609 -15.569 538 2HG GLU 76 2HG GLU 76 -7.170 5.345 -13.995 539 H GLU 77 H GLU 77 -2.987 4.142 -12.375 540 HA GLU 77 HA GLU 77 -5.170 2.675 -10.936 541 1HB GLU 77 1HB GLU 77 -4.887 1.412 -13.139 542 2HB GLU 77 2HB GLU 77 -3.265 0.998 -12.634 543 1HG GLU 77 1HG GLU 77 -5.613 0.297 -10.796 544 2HG GLU 77 2HG GLU 77 -4.023 -0.454 -10.869 545 H PHE 78 H PHE 78 -1.715 2.857 -11.753 546 HA PHE 78 HA PHE 78 -0.574 1.662 -9.384 547 1HB PHE 78 1HB PHE 78 0.720 2.249 -11.477 548 2HB PHE 78 2HB PHE 78 0.628 3.946 -11.080 549 HD1 PHE 78 HD1 PHE 78 1.109 1.448 -8.333 550 HD2 PHE 78 HD2 PHE 78 3.140 4.046 -11.096 551 HE1 PHE 78 HE1 PHE 78 3.201 1.181 -7.063 552 HE2 PHE 78 HE2 PHE 78 5.224 3.760 -9.819 553 HZ PHE 78 HZ PHE 78 5.263 2.321 -7.811 554 H LEU 79 H LEU 79 -1.603 4.984 -10.074 555 HA LEU 79 HA LEU 79 -0.662 6.243 -7.589 556 1HB LEU 79 1HB LEU 79 -2.059 8.168 -8.181 557 2HB LEU 79 2HB LEU 79 -3.023 7.221 -9.293 558 HG LEU 79 HG LEU 79 -1.006 6.930 -10.804 559 1HD1 LEU 79 1HD1 LEU 79 -1.034 9.257 -11.706 560 2HD1 LEU 79 2HD1 LEU 79 -2.667 8.749 -11.238 561 3HD1 LEU 79 3HD1 LEU 79 -1.753 9.864 -10.192 562 1HD2 LEU 79 1HD2 LEU 79 0.389 8.906 -8.875 563 2HD2 LEU 79 2HD2 LEU 79 0.861 7.213 -9.166 564 3HD2 LEU 79 3HD2 LEU 79 1.007 8.402 -10.468 565 H VAL 80 H VAL 80 -3.627 4.598 -8.552 566 HA VAL 80 HA VAL 80 -5.326 5.247 -6.268 567 HB VAL 80 HB VAL 80 -5.500 2.610 -7.800 568 1HG1 VAL 80 1HG1 VAL 80 -6.832 5.240 -8.698 569 2HG1 VAL 80 2HG1 VAL 80 -5.337 4.623 -9.414 570 3HG1 VAL 80 3HG1 VAL 80 -6.833 3.668 -9.540 571 1HG2 VAL 80 1HG2 VAL 80 -7.904 2.686 -7.329 572 2HG2 VAL 80 2HG2 VAL 80 -7.064 2.915 -5.777 573 3HG2 VAL 80 3HG2 VAL 80 -7.781 4.307 -6.602 574 H MET 81 H MET 81 -2.892 2.744 -6.864 575 HA MET 81 HA MET 81 -3.248 1.100 -4.449 576 1HB MET 81 1HB MET 81 -1.819 0.578 -6.602 577 2HB MET 81 2HB MET 81 -0.547 1.499 -5.821 578 1HG MET 81 1HG MET 81 -1.708 -0.575 -4.001 579 2HG MET 81 2HG MET 81 -1.007 -1.247 -5.482 580 1HE MET 81 1HE MET 81 1.438 -1.268 -6.155 581 2HE MET 81 2HE MET 81 2.657 -1.300 -4.846 582 3HE MET 81 3HE MET 81 1.243 -2.389 -4.771 583 H MET 82 H MET 82 -0.714 3.514 -5.195 584 HA MET 82 HA MET 82 0.502 3.670 -2.589 585 1HB MET 82 1HB MET 82 1.012 6.198 -3.459 586 2HB MET 82 2HB MET 82 0.449 5.527 -4.978 587 1HG MET 82 1HG MET 82 2.756 5.103 -5.125 588 2HG MET 82 2HG MET 82 2.183 3.556 -4.488 589 1HE MET 82 1HE MET 82 3.039 2.409 -2.770 590 2HE MET 82 2HE MET 82 2.306 3.187 -1.336 591 3HE MET 82 3HE MET 82 4.078 2.964 -1.419 592 H VAL 83 H VAL 83 -2.412 5.175 -3.839 593 HA VAL 83 HA VAL 83 -2.728 7.315 -1.851 594 HB VAL 83 HB VAL 83 -4.076 6.587 -4.217 595 1HG1 VAL 83 1HG1 VAL 83 -6.508 6.638 -3.639 596 2HG1 VAL 83 2HG1 VAL 83 -5.737 5.197 -2.961 597 3HG1 VAL 83 3HG1 VAL 83 -6.119 6.573 -1.900 598 1HG2 VAL 83 1HG2 VAL 83 -4.805 8.864 -2.257 599 2HG2 VAL 83 2HG2 VAL 83 -3.577 8.953 -3.542 600 3HG2 VAL 83 3HG2 VAL 83 -5.284 8.765 -3.971 601 NH1 ARG 84 NH1 ARG 84 -5.265 -1.436 -1.191 602 NH2 ARG 84 NH2 ARG 84 -6.941 -2.734 -2.008 603 H ARG 84 H ARG 84 -4.024 4.009 -2.152 604 HA ARG 84 HA ARG 84 -5.835 3.930 0.113 605 1HB ARG 84 1HB ARG 84 -4.347 1.810 -1.469 606 2HB ARG 84 2HB ARG 84 -4.999 1.344 0.095 607 1HG ARG 84 1HG ARG 84 -7.221 1.530 -0.552 608 2HG ARG 84 2HG ARG 84 -6.924 2.850 -1.686 609 1HD ARG 84 1HD ARG 84 -7.090 1.312 -3.364 610 2HD ARG 84 2HD ARG 84 -5.494 0.727 -2.890 611 HE ARG 84 HE ARG 84 -8.154 -0.530 -2.088 612 1HH1 ARG 84 1HH1 ARG 84 -7.861 -2.780 -2.460 613 2HH1 ARG 84 2HH1 ARG 84 -6.368 -3.527 -1.698 614 1HH2 ARG 84 1HH2 ARG 84 -4.866 -0.496 -1.097 615 2HH2 ARG 84 2HH2 ARG 84 -4.848 -2.317 -0.868 616 H GLN 85 H GLN 85 -2.330 3.596 -0.096 617 HA GLN 85 HA GLN 85 -1.954 2.742 2.759 618 1HB GLN 85 1HB GLN 85 0.570 3.309 2.068 619 2HB GLN 85 2HB GLN 85 -0.082 3.342 0.440 620 1HG GLN 85 1HG GLN 85 0.249 1.108 0.356 621 2HG GLN 85 2HG GLN 85 -1.141 0.925 1.403 622 1HE2 GLN 85 1HE2 GLN 85 2.541 0.861 3.370 623 2HE2 GLN 85 2HE2 GLN 85 2.242 2.046 2.002 624 H MET 86 H MET 86 -1.821 5.683 0.828 625 HA MET 86 HA MET 86 -0.350 7.481 2.530 626 1HB MET 86 1HB MET 86 -2.068 7.778 0.186 627 2HB MET 86 2HB MET 86 -2.485 9.022 1.350 628 1HG MET 86 1HG MET 86 -0.072 8.807 -0.357 629 2HG MET 86 2HG MET 86 0.363 9.087 1.337 630 1HE MET 86 1HE MET 86 -2.694 10.207 -1.083 631 2HE MET 86 2HE MET 86 -2.214 11.909 -1.348 632 3HE MET 86 3HE MET 86 -1.171 10.587 -1.947 633 H LYS 87 H LYS 87 -3.853 6.791 2.451 634 HA LYS 87 HA LYS 87 -4.767 8.677 4.473 635 1HB LYS 87 1HB LYS 87 -6.830 7.501 4.580 636 2HB LYS 87 2HB LYS 87 -6.275 7.306 2.924 637 1HG LYS 87 1HG LYS 87 -5.778 5.146 5.044 638 2HG LYS 87 2HG LYS 87 -5.563 4.989 3.308 639 1HD LYS 87 1HD LYS 87 -8.104 4.944 4.970 640 2HD LYS 87 2HD LYS 87 -8.223 5.681 3.376 641 1HE LYS 87 1HE LYS 87 -7.803 3.643 2.214 642 2HE LYS 87 2HE LYS 87 -6.894 2.929 3.553 643 1HZ LYS 87 1HZ LYS 87 -9.665 3.515 4.185 644 2HZ LYS 87 2HZ LYS 87 -8.775 2.156 4.487 645 3HZ LYS 87 3HZ LYS 87 -9.463 2.380 3.002 646 H GLU 88 H GLU 88 -3.451 5.396 4.696 647 HA GLU 88 HA GLU 88 -3.882 4.897 7.540 648 1HB GLU 88 1HB GLU 88 -3.274 3.153 5.824 649 2HB GLU 88 2HB GLU 88 -1.633 3.768 5.785 650 1HG GLU 88 1HG GLU 88 -1.304 3.144 8.194 651 2HG GLU 88 2HG GLU 88 -2.985 2.657 8.329 652 H ASP 89 H ASP 89 -1.175 6.323 5.719 653 HA ASP 89 HA ASP 89 0.530 7.903 6.372 654 1HB ASP 89 1HB ASP 89 -1.443 8.637 8.092 655 2HB ASP 89 2HB ASP 89 -0.338 7.967 9.270 656 H ALA 90 H ALA 90 1.947 7.930 8.796 657 HA ALA 90 HA ALA 90 2.812 5.470 10.012 658 1HB ALA 90 1HB ALA 90 4.743 4.732 8.592 659 2HB ALA 90 2HB ALA 90 3.213 4.569 7.706 660 3HB ALA 90 3HB ALA 90 4.312 5.920 7.336 Start of MODEL 28 Raw file had 660 H/Q atoms Start of MODEL 28 1 1H ALA 1 1H ALA 1 -24.840 10.600 -16.311 2 2H ALA 1 2H ALA 1 -23.820 11.836 -15.801 3 3H ALA 1 3H ALA 1 -24.230 11.702 -17.426 4 HA ALA 1 HA ALA 1 -22.962 9.852 -17.796 5 1HB ALA 1 1HB ALA 1 -21.115 11.204 -15.791 6 2HB ALA 1 2HB ALA 1 -21.757 12.186 -17.121 7 3HB ALA 1 3HB ALA 1 -20.793 10.729 -17.476 8 H SER 2 H SER 2 -22.068 7.936 -17.079 9 HA SER 2 HA SER 2 -22.186 7.208 -14.108 10 1HB SER 2 1HB SER 2 -23.146 5.048 -15.942 11 2HB SER 2 2HB SER 2 -23.693 5.509 -14.328 12 HG SER 2 HG SER 2 -24.815 7.211 -15.205 13 H MET 3 H MET 3 -19.915 7.896 -15.544 14 HA MET 3 HA MET 3 -18.471 5.434 -16.528 15 1HB MET 3 1HB MET 3 -17.779 8.392 -16.371 16 2HB MET 3 2HB MET 3 -16.476 7.226 -16.515 17 1HG MET 3 1HG MET 3 -18.687 6.763 -18.495 18 2HG MET 3 2HG MET 3 -17.914 8.348 -18.638 19 1HE MET 3 1HE MET 3 -16.671 8.411 -20.631 20 2HE MET 3 2HE MET 3 -17.223 6.855 -21.318 21 3HE MET 3 3HE MET 3 -15.476 7.224 -21.245 22 H THR 4 H THR 4 -16.317 4.967 -15.559 23 HA THR 4 HA THR 4 -16.591 4.410 -12.657 24 HB THR 4 HB THR 4 -13.980 3.852 -14.009 25 HG1 THR 4 HG1 THR 4 -16.446 2.631 -14.631 26 1HG2 THR 4 1HG2 THR 4 -15.704 2.422 -11.948 27 2HG2 THR 4 2HG2 THR 4 -13.949 2.709 -11.950 28 3HG2 THR 4 3HG2 THR 4 -14.651 1.448 -12.997 29 H ASP 5 H ASP 5 -16.556 6.274 -11.519 30 HA ASP 5 HA ASP 5 -14.328 8.291 -11.751 31 1HB ASP 5 1HB ASP 5 -16.848 8.818 -11.203 32 2HB ASP 5 2HB ASP 5 -16.475 8.302 -9.574 33 H GLN 6 H GLN 6 -13.621 5.565 -11.051 34 HA GLN 6 HA GLN 6 -12.694 5.628 -8.169 35 1HB GLN 6 1HB GLN 6 -12.535 3.577 -10.415 36 2HB GLN 6 2HB GLN 6 -13.297 3.453 -8.840 37 1HG GLN 6 1HG GLN 6 -11.136 3.227 -7.697 38 2HG GLN 6 2HG GLN 6 -10.242 3.646 -9.141 39 1HE2 GLN 6 1HE2 GLN 6 -9.907 0.170 -9.883 40 2HE2 GLN 6 2HE2 GLN 6 -9.181 1.852 -9.784 41 H GLN 7 H GLN 7 -11.263 5.550 -11.445 42 HA GLN 7 HA GLN 7 -8.456 5.995 -10.541 43 1HB GLN 7 1HB GLN 7 -7.815 5.963 -12.845 44 2HB GLN 7 2HB GLN 7 -9.378 6.556 -13.388 45 1HG GLN 7 1HG GLN 7 -8.683 3.991 -13.727 46 2HG GLN 7 2HG GLN 7 -9.283 3.796 -12.087 47 1HE2 GLN 7 1HE2 GLN 7 -11.987 4.919 -15.079 48 2HE2 GLN 7 2HE2 GLN 7 -10.220 5.401 -15.187 49 H ALA 8 H ALA 8 -11.107 7.972 -11.807 50 HA ALA 8 HA ALA 8 -9.631 10.489 -12.266 51 1HB ALA 8 1HB ALA 8 -11.882 11.547 -12.358 52 2HB ALA 8 2HB ALA 8 -11.823 10.067 -13.333 53 3HB ALA 8 3HB ALA 8 -12.643 10.057 -11.751 54 H GLU 9 H GLU 9 -11.199 8.969 -9.504 55 HA GLU 9 HA GLU 9 -11.350 11.285 -7.702 56 1HB GLU 9 1HB GLU 9 -11.887 8.376 -7.470 57 2HB GLU 9 2HB GLU 9 -11.098 8.998 -6.027 58 1HG GLU 9 1HG GLU 9 -13.133 10.947 -6.600 59 2HG GLU 9 2HG GLU 9 -13.892 9.387 -6.896 60 H ALA 10 H ALA 10 -8.895 8.812 -8.308 61 HA ALA 10 HA ALA 10 -7.137 9.479 -6.014 62 1HB ALA 10 1HB ALA 10 -5.510 7.930 -7.086 63 2HB ALA 10 2HB ALA 10 -7.130 7.212 -7.007 64 3HB ALA 10 3HB ALA 10 -6.512 7.844 -8.554 65 NH1 ARG 11 NH1 ARG 11 -4.953 13.100 -15.633 66 NH2 ARG 11 NH2 ARG 11 -6.745 14.448 -15.994 67 H ARG 11 H ARG 11 -7.383 10.439 -9.393 68 HA ARG 11 HA ARG 11 -4.719 11.746 -9.677 69 1HB ARG 11 1HB ARG 11 -6.564 10.892 -11.518 70 2HB ARG 11 2HB ARG 11 -7.029 12.585 -11.436 71 1HG ARG 11 1HG ARG 11 -4.068 12.172 -11.704 72 2HG ARG 11 2HG ARG 11 -5.014 11.585 -13.074 73 1HD ARG 11 1HD ARG 11 -5.452 14.405 -11.923 74 2HD ARG 11 2HD ARG 11 -4.207 14.096 -13.134 75 HE ARG 11 HE ARG 11 -7.208 13.931 -13.578 76 1HH1 ARG 11 1HH1 ARG 11 -7.505 15.006 -15.590 77 2HH1 ARG 11 2HH1 ARG 11 -6.525 14.339 -16.990 78 1HH2 ARG 11 1HH2 ARG 11 -4.326 12.656 -14.953 79 2HH2 ARG 11 2HH2 ARG 11 -4.882 13.054 -16.656 80 H ALA 12 H ALA 12 -7.991 12.741 -8.796 81 HA ALA 12 HA ALA 12 -7.537 15.677 -8.727 82 1HB ALA 12 1HB ALA 12 -9.710 15.779 -7.523 83 2HB ALA 12 2HB ALA 12 -9.822 14.754 -8.967 84 3HB ALA 12 3HB ALA 12 -9.735 14.007 -7.352 85 H PHE 13 H PHE 13 -7.162 12.982 -6.488 86 HA PHE 13 HA PHE 13 -6.944 14.332 -3.957 87 1HB PHE 13 1HB PHE 13 -5.367 11.825 -4.766 88 2HB PHE 13 2HB PHE 13 -7.074 11.806 -4.411 89 HD1 PHE 13 HD1 PHE 13 -7.440 13.397 -1.976 90 HD2 PHE 13 HD2 PHE 13 -4.061 10.947 -3.030 91 HE1 PHE 13 HE1 PHE 13 -6.870 13.138 0.404 92 HE2 PHE 13 HE2 PHE 13 -3.510 10.699 -0.646 93 HZ PHE 13 HZ PHE 13 -4.906 11.795 1.074 94 H LEU 14 H LEU 14 -4.403 13.470 -6.316 95 HA LEU 14 HA LEU 14 -2.348 15.222 -4.876 96 1HB LEU 14 1HB LEU 14 -0.813 13.664 -5.375 97 2HB LEU 14 2HB LEU 14 -1.144 13.808 -7.087 98 HG LEU 14 HG LEU 14 -3.014 12.062 -5.431 99 1HD1 LEU 14 1HD1 LEU 14 -0.256 11.070 -6.387 100 2HD1 LEU 14 2HD1 LEU 14 -0.651 11.448 -4.701 101 3HD1 LEU 14 3HD1 LEU 14 -1.498 10.120 -5.532 102 1HD2 LEU 14 1HD2 LEU 14 -3.222 10.751 -7.504 103 2HD2 LEU 14 2HD2 LEU 14 -3.395 12.468 -7.945 104 3HD2 LEU 14 3HD2 LEU 14 -1.871 11.628 -8.266 105 H SER 15 H SER 15 -0.817 16.319 -6.442 106 HA SER 15 HA SER 15 -2.427 17.909 -8.486 107 1HB SER 15 1HB SER 15 -1.071 19.748 -8.057 108 2HB SER 15 2HB SER 15 0.336 18.782 -7.606 109 HG SER 15 HG SER 15 -1.658 19.755 -6.087 110 H GLU 16 H GLU 16 -0.249 18.928 -9.916 111 HA GLU 16 HA GLU 16 0.225 16.725 -11.899 112 1HB GLU 16 1HB GLU 16 0.953 19.698 -11.947 113 2HB GLU 16 2HB GLU 16 -0.410 18.931 -12.737 114 1HG GLU 16 1HG GLU 16 1.502 17.516 -14.020 115 2HG GLU 16 2HG GLU 16 2.552 18.821 -13.496 116 H GLU 17 H GLU 17 1.990 18.596 -9.511 117 HA GLU 17 HA GLU 17 4.737 17.842 -10.356 118 1HB GLU 17 1HB GLU 17 3.771 18.999 -7.691 119 2HB GLU 17 2HB GLU 17 4.377 19.900 -9.067 120 1HG GLU 17 1HG GLU 17 6.012 17.949 -7.318 121 2HG GLU 17 2HG GLU 17 6.649 18.723 -8.759 122 H MET 18 H MET 18 2.325 16.563 -8.125 123 HA MET 18 HA MET 18 3.991 14.510 -6.808 124 1HB MET 18 1HB MET 18 1.003 15.034 -6.949 125 2HB MET 18 2HB MET 18 1.533 13.430 -6.478 126 1HG MET 18 1HG MET 18 1.115 14.985 -4.515 127 2HG MET 18 2HG MET 18 2.739 14.276 -4.520 128 1HE MET 18 1HE MET 18 2.792 16.526 -2.643 129 2HE MET 18 2HE MET 18 2.747 18.210 -3.242 130 3HE MET 18 3HE MET 18 1.266 17.209 -3.288 131 H ILE 19 H ILE 19 1.990 14.643 -9.712 132 HA ILE 19 HA ILE 19 1.849 11.766 -10.299 133 HB ILE 19 HB ILE 19 1.357 14.246 -11.983 134 1HG1 ILE 19 1HG1 ILE 19 -0.343 12.125 -10.629 135 2HG1 ILE 19 2HG1 ILE 19 -0.582 13.856 -10.724 136 1HG2 ILE 19 1HG2 ILE 19 0.696 12.835 -13.948 137 2HG2 ILE 19 2HG2 ILE 19 2.408 12.616 -13.590 138 3HG2 ILE 19 3HG2 ILE 19 1.242 11.365 -13.104 139 1HD1 ILE 19 1HD1 ILE 19 -1.187 11.899 -13.019 140 2HD1 ILE 19 2HD1 ILE 19 -2.348 12.778 -12.004 141 3HD1 ILE 19 3HD1 ILE 19 -1.312 13.676 -13.137 142 H ALA 20 H ALA 20 4.133 14.361 -11.030 143 HA ALA 20 HA ALA 20 5.815 12.995 -12.987 144 1HB ALA 20 1HB ALA 20 7.490 14.776 -12.505 145 2HB ALA 20 2HB ALA 20 5.861 15.452 -12.702 146 3HB ALA 20 3HB ALA 20 6.570 15.295 -11.074 147 H GLU 21 H GLU 21 5.840 13.123 -9.453 148 HA GLU 21 HA GLU 21 8.423 11.944 -8.826 149 1HB GLU 21 1HB GLU 21 6.598 12.989 -7.248 150 2HB GLU 21 2HB GLU 21 5.927 11.372 -7.166 151 1HG GLU 21 1HG GLU 21 7.940 10.478 -6.099 152 2HG GLU 21 2HG GLU 21 8.884 11.903 -6.498 153 H PHE 22 H PHE 22 5.311 10.559 -9.756 154 HA PHE 22 HA PHE 22 6.211 7.698 -9.397 155 1HB PHE 22 1HB PHE 22 3.519 8.639 -10.546 156 2HB PHE 22 2HB PHE 22 3.926 7.056 -9.942 157 HD1 PHE 22 HD1 PHE 22 1.819 9.443 -9.045 158 HD2 PHE 22 HD2 PHE 22 5.359 7.670 -7.354 159 HE1 PHE 22 HE1 PHE 22 1.088 10.104 -6.792 160 HE2 PHE 22 HE2 PHE 22 4.608 8.339 -5.108 161 HZ PHE 22 HZ PHE 22 2.485 9.572 -4.824 162 H LYS 23 H LYS 23 5.923 10.102 -11.899 163 HA LYS 23 HA LYS 23 5.717 8.537 -14.332 164 1HB LYS 23 1HB LYS 23 6.860 11.265 -13.681 165 2HB LYS 23 2HB LYS 23 7.401 10.534 -15.176 166 1HG LYS 23 1HG LYS 23 4.499 11.203 -14.409 167 2HG LYS 23 2HG LYS 23 4.912 10.218 -15.803 168 1HD LYS 23 1HD LYS 23 5.016 13.158 -15.513 169 2HD LYS 23 2HD LYS 23 4.966 12.177 -16.982 170 1HE LYS 23 1HE LYS 23 7.085 13.607 -16.743 171 2HE LYS 23 2HE LYS 23 7.547 12.638 -15.337 172 1HZ LYS 23 1HZ LYS 23 7.122 10.696 -17.099 173 2HZ LYS 23 2HZ LYS 23 8.580 11.461 -16.962 174 3HZ LYS 23 3HZ LYS 23 7.530 11.893 -18.162 175 H ALA 24 H ALA 24 8.622 9.610 -12.542 176 HA ALA 24 HA ALA 24 10.700 8.583 -14.218 177 1HB ALA 24 1HB ALA 24 12.159 8.589 -12.204 178 2HB ALA 24 2HB ALA 24 11.157 10.050 -12.276 179 3HB ALA 24 3HB ALA 24 10.741 8.743 -11.139 180 H ALA 25 H ALA 25 9.501 6.968 -11.252 181 HA ALA 25 HA ALA 25 10.835 4.402 -11.633 182 1HB ALA 25 1HB ALA 25 9.309 3.558 -9.858 183 2HB ALA 25 2HB ALA 25 9.983 5.141 -9.426 184 3HB ALA 25 3HB ALA 25 8.296 5.016 -9.989 185 H PHE 26 H PHE 26 7.839 5.724 -12.864 186 HA PHE 26 HA PHE 26 6.251 3.411 -13.463 187 1HB PHE 26 1HB PHE 26 5.504 5.810 -13.817 188 2HB PHE 26 2HB PHE 26 6.444 5.886 -15.284 189 HD1 PHE 26 HD1 PHE 26 3.195 5.444 -14.106 190 HD2 PHE 26 HD2 PHE 26 5.903 3.591 -16.887 191 HE1 PHE 26 HE1 PHE 26 1.291 4.487 -15.340 192 HE2 PHE 26 HE2 PHE 26 3.987 2.642 -18.108 193 HZ PHE 26 HZ PHE 26 1.682 3.093 -17.343 194 H ASP 27 H ASP 27 8.702 5.001 -15.526 195 HA ASP 27 HA ASP 27 8.571 3.180 -17.805 196 1HB ASP 27 1HB ASP 27 10.448 4.249 -18.717 197 2HB ASP 27 2HB ASP 27 11.208 4.530 -17.167 198 H MET 28 H MET 28 10.331 3.114 -14.761 199 HA MET 28 HA MET 28 12.223 0.955 -15.280 200 1HB MET 28 1HB MET 28 11.787 2.551 -13.073 201 2HB MET 28 2HB MET 28 11.071 1.054 -12.503 202 1HG MET 28 1HG MET 28 13.136 -0.141 -12.547 203 2HG MET 28 2HG MET 28 13.871 0.952 -13.732 204 1HE MET 28 1HE MET 28 11.919 1.398 -10.222 205 2HE MET 28 2HE MET 28 12.686 2.925 -9.693 206 3HE MET 28 3HE MET 28 11.710 2.891 -11.191 207 H PHE 29 H PHE 29 8.862 0.971 -14.143 208 HA PHE 29 HA PHE 29 8.592 -1.945 -13.675 209 1HB PHE 29 1HB PHE 29 5.991 -1.229 -14.082 210 2HB PHE 29 2HB PHE 29 6.638 0.373 -13.847 211 HD1 PHE 29 HD1 PHE 29 4.629 -0.909 -11.987 212 HD2 PHE 29 HD2 PHE 29 8.931 -0.926 -11.826 213 HE1 PHE 29 HE1 PHE 29 4.549 -1.235 -9.548 214 HE2 PHE 29 HE2 PHE 29 8.827 -1.243 -9.388 215 HZ PHE 29 HZ PHE 29 6.643 -1.393 -8.246 216 H ASP 30 H ASP 30 8.162 0.252 -16.399 217 HA ASP 30 HA ASP 30 6.769 -1.608 -18.240 218 1HB ASP 30 1HB ASP 30 8.442 0.750 -19.225 219 2HB ASP 30 2HB ASP 30 6.942 1.027 -18.371 220 H ALA 31 H ALA 31 7.724 -2.505 -20.171 221 HA ALA 31 HA ALA 31 10.646 -3.393 -19.832 222 1HB ALA 31 1HB ALA 31 9.977 -5.577 -20.839 223 2HB ALA 31 2HB ALA 31 9.072 -5.235 -19.352 224 3HB ALA 31 3HB ALA 31 8.281 -5.046 -20.938 225 H ASP 32 H ASP 32 8.043 -3.109 -22.274 226 HA ASP 32 HA ASP 32 10.096 -2.688 -24.479 227 1HB ASP 32 1HB ASP 32 7.994 -2.992 -26.013 228 2HB ASP 32 2HB ASP 32 8.732 -4.382 -25.250 229 H GLY 33 H GLY 33 9.370 -0.632 -22.498 230 1HA GLY 33 1HA GLY 33 8.839 1.751 -22.410 231 2HA GLY 33 2HA GLY 33 9.655 1.717 -23.956 232 H GLY 34 H GLY 34 6.632 -0.004 -23.409 233 1HA GLY 34 1HA GLY 34 4.510 0.102 -24.589 234 2HA GLY 34 2HA GLY 34 5.318 1.129 -25.781 235 H GLY 35 H GLY 35 3.998 1.221 -22.478 236 1HA GLY 35 1HA GLY 35 3.657 4.009 -21.922 237 2HA GLY 35 2HA GLY 35 2.369 3.655 -23.082 238 H ASP 36 H ASP 36 1.892 0.958 -22.324 239 HA ASP 36 HA ASP 36 0.723 1.228 -19.502 240 1HB ASP 36 1HB ASP 36 -1.280 0.493 -20.187 241 2HB ASP 36 2HB ASP 36 -0.587 -0.922 -20.944 242 H ILE 37 H ILE 37 0.711 -0.689 -18.230 243 HA ILE 37 HA ILE 37 3.108 -2.520 -18.728 244 HB ILE 37 HB ILE 37 1.887 -2.644 -16.029 245 1HG1 ILE 37 1HG1 ILE 37 3.173 -0.014 -16.940 246 2HG1 ILE 37 2HG1 ILE 37 1.669 -0.254 -16.071 247 1HG2 ILE 37 1HG2 ILE 37 4.231 -2.882 -15.306 248 2HG2 ILE 37 2HG2 ILE 37 3.924 -3.932 -16.696 249 3HG2 ILE 37 3HG2 ILE 37 4.824 -2.413 -16.917 250 1HD1 ILE 37 1HD1 ILE 37 4.467 -0.664 -14.855 251 2HD1 ILE 37 2HD1 ILE 37 3.318 0.648 -14.517 252 3HD1 ILE 37 3HD1 ILE 37 2.933 -1.013 -14.013 253 H SER 38 H SER 38 2.727 -4.704 -17.476 254 HA SER 38 HA SER 38 -0.041 -5.862 -17.904 255 1HB SER 38 1HB SER 38 0.378 -7.205 -19.722 256 2HB SER 38 2HB SER 38 2.100 -7.382 -19.376 257 HG SER 38 HG SER 38 1.450 -6.042 -21.204 258 H THR 39 H THR 39 0.799 -8.538 -17.940 259 HA THR 39 HA THR 39 1.517 -8.971 -15.047 260 HB THR 39 HB THR 39 1.192 -11.505 -15.828 261 HG1 THR 39 HG1 THR 39 0.971 -10.695 -18.038 262 1HG2 THR 39 1HG2 THR 39 -1.197 -11.417 -15.268 263 2HG2 THR 39 2HG2 THR 39 -0.319 -10.312 -14.186 264 3HG2 THR 39 3HG2 THR 39 -1.264 -9.663 -15.552 265 H LYS 40 H LYS 40 2.771 -9.783 -18.282 266 HA LYS 40 HA LYS 40 5.137 -11.263 -17.420 267 1HB LYS 40 1HB LYS 40 4.273 -11.547 -19.647 268 2HB LYS 40 2HB LYS 40 4.453 -9.866 -20.074 269 1HG LYS 40 1HG LYS 40 7.015 -10.235 -19.848 270 2HG LYS 40 2HG LYS 40 6.220 -11.046 -21.171 271 1HD LYS 40 1HD LYS 40 8.055 -12.316 -19.635 272 2HD LYS 40 2HD LYS 40 6.690 -12.548 -18.581 273 1HE LYS 40 1HE LYS 40 6.463 -14.507 -19.698 274 2HE LYS 40 2HE LYS 40 5.456 -13.539 -20.767 275 1HZ LYS 40 1HZ LYS 40 7.886 -13.217 -21.888 276 2HZ LYS 40 2HZ LYS 40 6.841 -14.425 -22.308 277 3HZ LYS 40 3HZ LYS 40 8.070 -14.727 -21.245 278 H GLU 41 H GLU 41 4.426 -7.851 -17.941 279 HA GLU 41 HA GLU 41 7.246 -6.886 -17.861 280 1HB GLU 41 1HB GLU 41 6.465 -4.730 -18.244 281 2HB GLU 41 2HB GLU 41 4.943 -4.988 -17.419 282 1HG GLU 41 1HG GLU 41 5.486 -6.459 -20.054 283 2HG GLU 41 2HG GLU 41 3.950 -6.099 -19.295 284 H LEU 42 H LEU 42 4.532 -7.126 -15.603 285 HA LEU 42 HA LEU 42 5.729 -5.516 -13.420 286 1HB LEU 42 1HB LEU 42 3.327 -7.400 -13.584 287 2HB LEU 42 2HB LEU 42 3.335 -5.655 -13.445 288 HG LEU 42 HG LEU 42 4.455 -7.345 -11.150 289 1HD1 LEU 42 1HD1 LEU 42 3.717 -5.386 -9.767 290 2HD1 LEU 42 2HD1 LEU 42 4.849 -4.890 -11.035 291 3HD1 LEU 42 3HD1 LEU 42 3.108 -4.566 -11.228 292 1HD2 LEU 42 1HD2 LEU 42 1.457 -6.680 -11.538 293 2HD2 LEU 42 2HD2 LEU 42 2.183 -8.305 -11.599 294 3HD2 LEU 42 3HD2 LEU 42 2.192 -7.393 -10.078 295 H GLY 43 H GLY 43 5.581 -8.952 -14.248 296 1HA GLY 43 1HA GLY 43 6.415 -10.225 -11.795 297 2HA GLY 43 2HA GLY 43 6.734 -10.889 -13.401 298 H THR 44 H THR 44 8.375 -8.960 -14.495 299 HA THR 44 HA THR 44 10.976 -9.892 -13.736 300 HB THR 44 HB THR 44 10.076 -7.550 -15.419 301 HG1 THR 44 HG1 THR 44 10.355 -9.875 -15.969 302 1HG2 THR 44 1HG2 THR 44 12.437 -6.982 -16.018 303 2HG2 THR 44 2HG2 THR 44 12.086 -6.566 -14.328 304 3HG2 THR 44 3HG2 THR 44 13.036 -8.026 -14.705 305 H VAL 45 H VAL 45 9.460 -6.752 -12.959 306 HA VAL 45 HA VAL 45 11.671 -5.686 -11.348 307 HB VAL 45 HB VAL 45 8.927 -4.793 -12.024 308 1HG1 VAL 45 1HG1 VAL 45 8.684 -3.147 -10.164 309 2HG1 VAL 45 2HG1 VAL 45 8.614 -4.798 -9.537 310 3HG1 VAL 45 3HG1 VAL 45 10.098 -3.841 -9.329 311 1HG2 VAL 45 1HG2 VAL 45 11.526 -3.208 -11.484 312 2HG2 VAL 45 2HG2 VAL 45 10.947 -3.744 -13.079 313 3HG2 VAL 45 3HG2 VAL 45 10.018 -2.546 -12.167 314 H MET 46 H MET 46 8.790 -7.607 -10.647 315 HA MET 46 HA MET 46 8.757 -7.491 -7.740 316 1HB MET 46 1HB MET 46 7.723 -9.957 -8.041 317 2HB MET 46 2HB MET 46 7.684 -9.513 -9.738 318 1HG MET 46 1HG MET 46 5.712 -8.433 -9.395 319 2HG MET 46 2HG MET 46 6.539 -7.257 -8.360 320 1HE MET 46 1HE MET 46 5.139 -6.701 -6.334 321 2HE MET 46 2HE MET 46 5.108 -7.844 -4.960 322 3HE MET 46 3HE MET 46 6.671 -7.357 -5.677 323 NH1 ARG 47 NH1 ARG 47 15.838 -10.668 -11.913 324 NH2 ARG 47 NH2 ARG 47 14.962 -11.591 -13.796 325 H ARG 47 H ARG 47 10.609 -9.420 -10.036 326 HA ARG 47 HA ARG 47 11.886 -11.166 -7.931 327 1HB ARG 47 1HB ARG 47 12.578 -11.071 -10.922 328 2HB ARG 47 2HB ARG 47 11.177 -11.929 -10.294 329 1HG ARG 47 1HG ARG 47 13.129 -12.968 -8.618 330 2HG ARG 47 2HG ARG 47 12.550 -13.728 -10.101 331 1HD ARG 47 1HD ARG 47 15.059 -11.935 -9.845 332 2HD ARG 47 2HD ARG 47 15.026 -13.674 -10.092 333 HE ARG 47 HE ARG 47 13.905 -13.222 -12.391 334 1HH1 ARG 47 1HH1 ARG 47 15.920 -10.701 -10.890 335 2HH1 ARG 47 2HH1 ARG 47 16.276 -9.987 -12.543 336 1HH2 ARG 47 1HH2 ARG 47 14.379 -12.325 -14.213 337 2HH2 ARG 47 2HH2 ARG 47 15.460 -10.845 -14.294 338 H MET 48 H MET 48 12.349 -8.161 -8.085 339 HA MET 48 HA MET 48 15.248 -7.770 -8.708 340 1HB MET 48 1HB MET 48 14.721 -5.662 -7.037 341 2HB MET 48 2HB MET 48 13.078 -6.033 -7.526 342 1HG MET 48 1HG MET 48 13.387 -4.893 -9.473 343 2HG MET 48 2HG MET 48 14.656 -6.029 -9.963 344 1HE MET 48 1HE MET 48 15.410 -3.545 -11.273 345 2HE MET 48 2HE MET 48 17.010 -3.104 -10.608 346 3HE MET 48 3HE MET 48 16.637 -4.814 -10.973 347 H LEU 49 H LEU 49 13.242 -8.355 -5.832 348 HA LEU 49 HA LEU 49 15.349 -8.068 -3.793 349 1HB LEU 49 1HB LEU 49 13.449 -8.019 -2.579 350 2HB LEU 49 2HB LEU 49 13.582 -9.764 -2.549 351 HG LEU 49 HG LEU 49 11.859 -8.168 -4.546 352 1HD1 LEU 49 1HD1 LEU 49 10.934 -9.876 -2.152 353 2HD1 LEU 49 2HD1 LEU 49 11.040 -8.106 -2.134 354 3HD1 LEU 49 3HD1 LEU 49 9.905 -8.915 -3.243 355 1HD2 LEU 49 1HD2 LEU 49 10.922 -10.313 -5.307 356 2HD2 LEU 49 2HD2 LEU 49 12.694 -10.436 -5.442 357 3HD2 LEU 49 3HD2 LEU 49 11.858 -11.223 -4.095 358 H GLY 50 H GLY 50 14.029 -10.810 -5.623 359 1HA GLY 50 1HA GLY 50 16.288 -12.625 -4.581 360 2HA GLY 50 2HA GLY 50 15.792 -12.625 -6.279 361 H GLN 51 H GLN 51 14.216 -13.900 -6.936 362 HA GLN 51 HA GLN 51 12.860 -15.831 -5.047 363 1HB GLN 51 1HB GLN 51 10.550 -15.254 -5.716 364 2HB GLN 51 2HB GLN 51 11.124 -13.936 -6.719 365 1HG GLN 51 1HG GLN 51 12.080 -12.824 -4.595 366 2HG GLN 51 2HG GLN 51 10.338 -12.865 -4.755 367 1HE2 GLN 51 1HE2 GLN 51 10.929 -13.912 -1.246 368 2HE2 GLN 51 2HE2 GLN 51 11.197 -12.427 -2.291 369 H ASN 52 H ASN 52 10.952 -16.760 -6.803 370 HA ASN 52 HA ASN 52 12.310 -17.284 -9.458 371 1HB ASN 52 1HB ASN 52 11.102 -19.681 -8.011 372 2HB ASN 52 2HB ASN 52 12.710 -19.156 -7.563 373 1HD2 ASN 52 1HD2 ASN 52 12.649 -21.751 -10.445 374 2HD2 ASN 52 2HD2 ASN 52 11.594 -21.594 -8.951 375 HA PRO 53 HA PRO 53 7.661 -16.414 -9.794 376 1HB PRO 53 1HB PRO 53 7.686 -14.639 -11.901 377 2HB PRO 53 2HB PRO 53 8.147 -14.214 -10.246 378 1HG PRO 53 1HG PRO 53 9.993 -14.876 -12.590 379 2HG PRO 53 2HG PRO 53 10.135 -13.536 -11.429 380 1HD PRO 53 1HD PRO 53 11.146 -14.963 -9.778 381 2HD PRO 53 2HD PRO 53 11.534 -15.988 -11.191 382 H THR 54 H THR 54 6.211 -16.402 -11.922 383 HA THR 54 HA THR 54 7.054 -18.166 -14.184 384 HB THR 54 HB THR 54 6.548 -19.717 -12.122 385 HG1 THR 54 HG1 THR 54 6.877 -20.751 -13.888 386 1HG2 THR 54 1HG2 THR 54 4.228 -20.563 -11.979 387 2HG2 THR 54 2HG2 THR 54 4.269 -18.843 -11.528 388 3HG2 THR 54 3HG2 THR 54 3.661 -19.329 -13.130 389 H LYS 55 H LYS 55 5.483 -18.249 -15.820 390 HA LYS 55 HA LYS 55 4.113 -15.733 -16.282 391 1HB LYS 55 1HB LYS 55 4.029 -16.477 -18.417 392 2HB LYS 55 2HB LYS 55 4.825 -17.939 -17.874 393 1HG LYS 55 1HG LYS 55 2.011 -18.315 -17.365 394 2HG LYS 55 2HG LYS 55 2.131 -17.600 -18.963 395 1HD LYS 55 1HD LYS 55 2.345 -19.857 -19.578 396 2HD LYS 55 2HD LYS 55 4.042 -19.492 -19.308 397 1HE LYS 55 1HE LYS 55 4.024 -20.501 -17.079 398 2HE LYS 55 2HE LYS 55 2.273 -20.691 -17.088 399 1HZ LYS 55 1HZ LYS 55 3.829 -22.670 -17.710 400 2HZ LYS 55 2HZ LYS 55 3.861 -21.994 -19.217 401 3HZ LYS 55 3HZ LYS 55 2.424 -22.468 -18.555 402 H GLU 56 H GLU 56 3.043 -18.849 -15.035 403 HA GLU 56 HA GLU 56 0.137 -18.357 -15.158 404 1HB GLU 56 1HB GLU 56 0.790 -20.328 -13.116 405 2HB GLU 56 2HB GLU 56 1.851 -20.573 -14.489 406 1HG GLU 56 1HG GLU 56 -0.319 -20.546 -15.977 407 2HG GLU 56 2HG GLU 56 0.002 -21.961 -14.989 408 H GLU 57 H GLU 57 2.656 -17.970 -12.699 409 HA GLU 57 HA GLU 57 0.905 -17.412 -10.391 410 1HB GLU 57 1HB GLU 57 3.712 -16.313 -10.419 411 2HB GLU 57 2HB GLU 57 3.519 -18.047 -10.562 412 1HG GLU 57 1HG GLU 57 1.824 -17.337 -8.351 413 2HG GLU 57 2HG GLU 57 3.356 -18.199 -8.290 414 H LEU 58 H LEU 58 2.386 -15.461 -12.919 415 HA LEU 58 HA LEU 58 2.095 -12.814 -11.688 416 1HB LEU 58 1HB LEU 58 2.884 -13.916 -14.348 417 2HB LEU 58 2HB LEU 58 2.092 -12.357 -14.453 418 HG LEU 58 HG LEU 58 4.552 -12.109 -14.335 419 1HD1 LEU 58 1HD1 LEU 58 4.790 -10.518 -12.388 420 2HD1 LEU 58 2HD1 LEU 58 3.280 -10.236 -13.267 421 3HD1 LEU 58 3HD1 LEU 58 3.248 -11.101 -11.712 422 1HD2 LEU 58 1HD2 LEU 58 4.421 -13.525 -11.593 423 2HD2 LEU 58 2HD2 LEU 58 5.094 -14.208 -13.094 424 3HD2 LEU 58 3HD2 LEU 58 5.874 -12.808 -12.335 425 H ASP 59 H ASP 59 0.054 -14.858 -13.711 426 HA ASP 59 HA ASP 59 -2.067 -12.926 -14.356 427 1HB ASP 59 1HB ASP 59 -2.251 -15.993 -14.271 428 2HB ASP 59 2HB ASP 59 -1.744 -15.038 -15.645 429 H ALA 60 H ALA 60 -1.407 -15.053 -11.635 430 HA ALA 60 HA ALA 60 -3.981 -14.778 -10.219 431 1HB ALA 60 1HB ALA 60 -2.770 -15.733 -8.264 432 2HB ALA 60 2HB ALA 60 -2.439 -16.654 -9.744 433 3HB ALA 60 3HB ALA 60 -1.208 -15.540 -9.096 434 H ILE 61 H ILE 61 -0.852 -13.096 -10.043 435 HA ILE 61 HA ILE 61 -1.312 -11.459 -7.675 436 HB ILE 61 HB ILE 61 0.702 -11.508 -9.846 437 1HG1 ILE 61 1HG1 ILE 61 0.621 -11.872 -6.998 438 2HG1 ILE 61 2HG1 ILE 61 1.992 -12.062 -8.069 439 1HG2 ILE 61 1HG2 ILE 61 1.589 -9.185 -9.499 440 2HG2 ILE 61 2HG2 ILE 61 -0.024 -9.133 -10.207 441 3HG2 ILE 61 3HG2 ILE 61 0.187 -8.783 -8.476 442 1HD1 ILE 61 1HD1 ILE 61 1.295 -9.447 -6.606 443 2HD1 ILE 61 2HD1 ILE 61 2.640 -10.558 -6.268 444 3HD1 ILE 61 3HD1 ILE 61 2.621 -9.632 -7.787 445 H ILE 62 H ILE 62 -1.899 -10.894 -11.143 446 HA ILE 62 HA ILE 62 -2.988 -8.146 -10.832 447 HB ILE 62 HB ILE 62 -3.043 -10.075 -13.204 448 1HG1 ILE 62 1HG1 ILE 62 -1.171 -7.867 -12.307 449 2HG1 ILE 62 2HG1 ILE 62 -0.817 -9.372 -13.129 450 1HG2 ILE 62 1HG2 ILE 62 -3.858 -8.176 -14.629 451 2HG2 ILE 62 2HG2 ILE 62 -5.049 -8.565 -13.390 452 3HG2 ILE 62 3HG2 ILE 62 -4.010 -7.136 -13.192 453 1HD1 ILE 62 1HD1 ILE 62 -1.947 -6.868 -14.516 454 2HD1 ILE 62 2HD1 ILE 62 -0.310 -7.542 -14.649 455 3HD1 ILE 62 3HD1 ILE 62 -1.691 -8.446 -15.312 456 H GLU 63 H GLU 63 -4.255 -11.437 -11.006 457 HA GLU 63 HA GLU 63 -7.061 -11.100 -11.257 458 1HB GLU 63 1HB GLU 63 -5.939 -13.052 -9.197 459 2HB GLU 63 2HB GLU 63 -5.661 -13.287 -10.912 460 1HG GLU 63 1HG GLU 63 -8.286 -13.447 -9.354 461 2HG GLU 63 2HG GLU 63 -8.359 -13.039 -11.060 462 H GLU 64 H GLU 64 -5.124 -10.903 -8.260 463 HA GLU 64 HA GLU 64 -7.180 -10.361 -6.312 464 1HB GLU 64 1HB GLU 64 -5.237 -8.972 -5.147 465 2HB GLU 64 2HB GLU 64 -4.231 -9.616 -6.431 466 1HG GLU 64 1HG GLU 64 -5.160 -10.915 -3.968 467 2HG GLU 64 2HG GLU 64 -3.894 -11.418 -5.075 468 H VAL 65 H VAL 65 -5.029 -7.884 -7.748 469 HA VAL 65 HA VAL 65 -6.927 -5.631 -7.353 470 HB VAL 65 HB VAL 65 -4.295 -5.565 -7.573 471 1HG1 VAL 65 1HG1 VAL 65 -5.933 -3.279 -8.846 472 2HG1 VAL 65 2HG1 VAL 65 -5.886 -3.604 -7.103 473 3HG1 VAL 65 3HG1 VAL 65 -4.393 -3.151 -7.960 474 1HG2 VAL 65 1HG2 VAL 65 -3.364 -4.925 -9.741 475 2HG2 VAL 65 2HG2 VAL 65 -4.257 -6.441 -10.007 476 3HG2 VAL 65 3HG2 VAL 65 -4.969 -4.903 -10.513 477 H ASP 66 H ASP 66 -6.573 -4.455 -10.001 478 HA ASP 66 HA ASP 66 -7.600 -4.360 -12.169 479 1HB ASP 66 1HB ASP 66 -8.400 -7.156 -12.557 480 2HB ASP 66 2HB ASP 66 -6.757 -7.092 -11.963 481 H GLU 67 H GLU 67 -9.114 -3.295 -10.637 482 HA GLU 67 HA GLU 67 -11.696 -4.656 -9.937 483 1HB GLU 67 1HB GLU 67 -11.357 -1.641 -9.836 484 2HB GLU 67 2HB GLU 67 -10.442 -2.632 -8.716 485 1HG GLU 67 1HG GLU 67 -13.405 -2.057 -8.807 486 2HG GLU 67 2HG GLU 67 -12.998 -3.708 -8.372 487 H ASP 68 H ASP 68 -10.364 -2.645 -12.486 488 HA ASP 68 HA ASP 68 -12.988 -2.020 -13.792 489 1HB ASP 68 1HB ASP 68 -11.676 -0.273 -14.404 490 2HB ASP 68 2HB ASP 68 -11.292 -1.308 -15.761 491 H GLY 69 H GLY 69 -10.397 -4.379 -14.095 492 1HA GLY 69 1HA GLY 69 -10.562 -6.654 -15.028 493 2HA GLY 69 2HA GLY 69 -12.176 -6.255 -15.631 494 H SER 70 H SER 70 -9.170 -4.449 -16.149 495 HA SER 70 HA SER 70 -9.506 -4.513 -19.161 496 1HB SER 70 1HB SER 70 -8.934 -2.350 -18.430 497 2HB SER 70 2HB SER 70 -7.417 -2.987 -19.071 498 HG SER 70 HG SER 70 -7.040 -2.063 -17.113 499 H GLY 71 H GLY 71 -7.162 -5.483 -16.643 500 1HA GLY 71 1HA GLY 71 -6.072 -7.802 -16.789 501 2HA GLY 71 2HA GLY 71 -6.001 -7.589 -18.544 502 H THR 72 H THR 72 -5.209 -4.791 -18.406 503 HA THR 72 HA THR 72 -2.255 -5.125 -17.704 504 HB THR 72 HB THR 72 -2.096 -2.894 -19.140 505 HG1 THR 72 HG1 THR 72 -4.418 -2.882 -19.356 506 1HG2 THR 72 1HG2 THR 72 -1.659 -4.150 -21.212 507 2HG2 THR 72 2HG2 THR 72 -0.972 -5.049 -19.841 508 3HG2 THR 72 3HG2 THR 72 -2.494 -5.593 -20.594 509 H ILE 73 H ILE 73 -1.381 -2.664 -17.345 510 HA ILE 73 HA ILE 73 -3.084 -1.259 -15.239 511 HB ILE 73 HB ILE 73 -0.197 -2.131 -14.708 512 1HG1 ILE 73 1HG1 ILE 73 -1.407 -3.347 -12.683 513 2HG1 ILE 73 2HG1 ILE 73 -2.870 -3.197 -13.633 514 1HG2 ILE 73 1HG2 ILE 73 -0.436 -1.081 -12.461 515 2HG2 ILE 73 2HG2 ILE 73 -0.733 0.132 -13.714 516 3HG2 ILE 73 3HG2 ILE 73 -2.102 -0.575 -12.822 517 1HD1 ILE 73 1HD1 ILE 73 -0.375 -4.745 -14.545 518 2HD1 ILE 73 2HD1 ILE 73 -1.932 -5.413 -14.012 519 3HD1 ILE 73 3HD1 ILE 73 -1.839 -4.497 -15.534 520 H ASP 74 H ASP 74 -3.397 0.234 -16.902 521 HA ASP 74 HA ASP 74 -1.137 1.643 -18.251 522 1HB ASP 74 1HB ASP 74 -3.234 3.289 -18.824 523 2HB ASP 74 2HB ASP 74 -2.815 1.859 -19.740 524 H PHE 75 H PHE 75 -1.155 4.112 -18.168 525 HA PHE 75 HA PHE 75 -0.169 5.005 -15.589 526 1HB PHE 75 1HB PHE 75 -1.256 6.928 -17.722 527 2HB PHE 75 2HB PHE 75 0.216 6.032 -17.981 528 HD1 PHE 75 HD1 PHE 75 0.221 8.999 -17.982 529 HD2 PHE 75 HD2 PHE 75 0.719 6.300 -14.667 530 HE1 PHE 75 HE1 PHE 75 1.517 10.707 -16.773 531 HE2 PHE 75 HE2 PHE 75 2.006 8.026 -13.471 532 HZ PHE 75 HZ PHE 75 2.407 10.226 -14.518 533 H GLU 76 H GLU 76 -3.381 4.946 -16.984 534 HA GLU 76 HA GLU 76 -4.595 6.716 -14.847 535 1HB GLU 76 1HB GLU 76 -6.775 5.918 -16.243 536 2HB GLU 76 2HB GLU 76 -5.806 7.329 -16.606 537 1HG GLU 76 1HG GLU 76 -4.927 4.775 -17.974 538 2HG GLU 76 2HG GLU 76 -6.501 5.391 -18.433 539 H GLU 77 H GLU 77 -3.394 4.460 -13.843 540 HA GLU 77 HA GLU 77 -5.627 3.177 -12.328 541 1HB GLU 77 1HB GLU 77 -5.770 1.673 -14.182 542 2HB GLU 77 2HB GLU 77 -4.034 1.493 -14.301 543 1HG GLU 77 1HG GLU 77 -3.911 0.087 -12.319 544 2HG GLU 77 2HG GLU 77 -5.526 0.538 -11.788 545 H PHE 78 H PHE 78 -2.182 3.151 -13.192 546 HA PHE 78 HA PHE 78 -1.057 1.897 -10.836 547 1HB PHE 78 1HB PHE 78 0.176 2.528 -13.014 548 2HB PHE 78 2HB PHE 78 0.271 4.174 -12.442 549 HD1 PHE 78 HD1 PHE 78 2.636 4.456 -12.037 550 HD2 PHE 78 HD2 PHE 78 0.663 1.010 -10.382 551 HE1 PHE 78 HE1 PHE 78 4.687 3.854 -10.817 552 HE2 PHE 78 HE2 PHE 78 2.725 0.420 -9.174 553 HZ PHE 78 HZ PHE 78 4.734 1.844 -9.378 554 H LEU 79 H LEU 79 -2.128 5.192 -11.485 555 HA LEU 79 HA LEU 79 -1.326 6.246 -8.760 556 1HB LEU 79 1HB LEU 79 -2.659 7.559 -11.198 557 2HB LEU 79 2HB LEU 79 -2.519 8.384 -9.660 558 HG LEU 79 HG LEU 79 0.092 7.874 -9.876 559 1HD1 LEU 79 1HD1 LEU 79 -1.199 10.000 -11.699 560 2HD1 LEU 79 2HD1 LEU 79 -1.029 10.162 -9.941 561 3HD1 LEU 79 3HD1 LEU 79 0.424 10.060 -10.966 562 1HD2 LEU 79 1HD2 LEU 79 0.974 7.714 -12.165 563 2HD2 LEU 79 2HD2 LEU 79 -0.184 6.377 -11.956 564 3HD2 LEU 79 3HD2 LEU 79 -0.660 7.816 -12.869 565 H VAL 80 H VAL 80 -3.068 4.110 -8.589 566 HA VAL 80 HA VAL 80 -5.520 5.409 -7.325 567 HB VAL 80 HB VAL 80 -5.775 4.129 -9.764 568 1HG1 VAL 80 1HG1 VAL 80 -6.997 1.978 -9.386 569 2HG1 VAL 80 2HG1 VAL 80 -5.317 1.848 -8.846 570 3HG1 VAL 80 3HG1 VAL 80 -6.615 2.044 -7.646 571 1HG2 VAL 80 1HG2 VAL 80 -7.986 4.307 -7.613 572 2HG2 VAL 80 2HG2 VAL 80 -7.525 5.620 -8.722 573 3HG2 VAL 80 3HG2 VAL 80 -8.231 4.131 -9.368 574 H MET 81 H MET 81 -3.582 2.453 -7.815 575 HA MET 81 HA MET 81 -4.324 1.145 -5.257 576 1HB MET 81 1HB MET 81 -2.343 0.549 -7.463 577 2HB MET 81 2HB MET 81 -3.619 -0.445 -6.786 578 1HG MET 81 1HG MET 81 -1.163 0.178 -5.062 579 2HG MET 81 2HG MET 81 -2.285 -1.188 -4.948 580 1HE MET 81 1HE MET 81 -2.511 -1.352 -8.372 581 2HE MET 81 2HE MET 81 -1.406 -2.716 -8.718 582 3HE MET 81 3HE MET 81 -2.609 -2.856 -7.403 583 H MET 82 H MET 82 -1.765 3.295 -6.384 584 HA MET 82 HA MET 82 -0.102 3.204 -3.910 585 1HB MET 82 1HB MET 82 0.802 5.466 -5.044 586 2HB MET 82 2HB MET 82 -0.057 4.876 -6.454 587 1HG MET 82 1HG MET 82 1.354 2.575 -5.741 588 2HG MET 82 2HG MET 82 1.898 3.778 -6.918 589 1HE MET 82 1HE MET 82 3.506 1.690 -5.247 590 2HE MET 82 2HE MET 82 4.763 2.443 -4.221 591 3HE MET 82 3HE MET 82 4.743 2.761 -5.980 592 H VAL 83 H VAL 83 -2.733 5.152 -5.214 593 HA VAL 83 HA VAL 83 -2.652 7.385 -3.301 594 HB VAL 83 HB VAL 83 -4.102 6.871 -5.627 595 1HG1 VAL 83 1HG1 VAL 83 -4.711 9.182 -3.680 596 2HG1 VAL 83 2HG1 VAL 83 -3.255 9.120 -4.683 597 3HG1 VAL 83 3HG1 VAL 83 -4.856 9.182 -5.457 598 1HG2 VAL 83 1HG2 VAL 83 -6.491 7.095 -5.178 599 2HG2 VAL 83 2HG2 VAL 83 -5.934 5.696 -4.231 600 3HG2 VAL 83 3HG2 VAL 83 -6.227 7.241 -3.421 601 NH1 ARG 84 NH1 ARG 84 -9.052 -0.871 -3.844 602 NH2 ARG 84 NH2 ARG 84 -8.151 -1.936 -2.051 603 H ARG 84 H ARG 84 -4.179 4.204 -3.382 604 HA ARG 84 HA ARG 84 -6.076 4.414 -1.168 605 1HB ARG 84 1HB ARG 84 -4.771 2.150 -2.666 606 2HB ARG 84 2HB ARG 84 -5.269 1.770 -1.024 607 1HG ARG 84 1HG ARG 84 -7.350 3.240 -2.625 608 2HG ARG 84 2HG ARG 84 -7.541 1.917 -1.473 609 1HD ARG 84 1HD ARG 84 -6.217 1.417 -4.199 610 2HD ARG 84 2HD ARG 84 -7.976 1.439 -4.057 611 HE ARG 84 HE ARG 84 -6.129 -0.572 -2.682 612 1HH1 ARG 84 1HH1 ARG 84 -8.955 -0.138 -4.555 613 2HH1 ARG 84 2HH1 ARG 84 -9.831 -1.532 -3.744 614 1HH2 ARG 84 1HH2 ARG 84 -7.386 -1.990 -1.369 615 2HH2 ARG 84 2HH2 ARG 84 -8.975 -2.546 -2.100 616 H GLN 85 H GLN 85 -2.742 3.098 -1.229 617 HA GLN 85 HA GLN 85 -2.491 2.621 1.668 618 1HB GLN 85 1HB GLN 85 -0.169 3.090 -0.284 619 2HB GLN 85 2HB GLN 85 -0.111 2.285 1.273 620 1HG GLN 85 1HG GLN 85 -0.916 1.212 -1.386 621 2HG GLN 85 2HG GLN 85 -2.066 0.785 -0.139 622 1HE2 GLN 85 1HE2 GLN 85 0.379 -1.292 1.675 623 2HE2 GLN 85 2HE2 GLN 85 -0.913 -0.030 1.999 624 H MET 86 H MET 86 -1.829 5.339 -0.478 625 HA MET 86 HA MET 86 -0.174 7.066 1.076 626 1HB MET 86 1HB MET 86 -2.194 8.747 -0.176 627 2HB MET 86 2HB MET 86 -1.873 7.396 -1.248 628 1HG MET 86 1HG MET 86 0.663 8.557 -0.195 629 2HG MET 86 2HG MET 86 0.183 8.201 -1.863 630 1HE MET 86 1HE MET 86 -2.652 9.785 -2.129 631 2HE MET 86 2HE MET 86 -2.095 11.359 -2.768 632 3HE MET 86 3HE MET 86 -1.392 9.842 -3.401 633 H LYS 87 H LYS 87 -3.608 6.363 1.395 634 HA LYS 87 HA LYS 87 -4.645 8.351 3.140 635 1HB LYS 87 1HB LYS 87 -5.191 5.375 2.921 636 2HB LYS 87 2HB LYS 87 -5.731 6.176 4.389 637 1HG LYS 87 1HG LYS 87 -7.123 6.075 1.945 638 2HG LYS 87 2HG LYS 87 -6.492 7.714 1.943 639 1HD LYS 87 1HD LYS 87 -7.583 7.154 4.603 640 2HD LYS 87 2HD LYS 87 -8.047 8.385 3.434 641 1HE LYS 87 1HE LYS 87 -10.069 7.299 3.259 642 2HE LYS 87 2HE LYS 87 -9.226 6.059 2.321 643 1HZ LYS 87 1HZ LYS 87 -9.170 5.888 5.266 644 2HZ LYS 87 2HZ LYS 87 -9.081 4.675 4.147 645 3HZ LYS 87 3HZ LYS 87 -10.528 5.412 4.453 646 H GLU 88 H GLU 88 -3.731 5.263 4.621 647 HA GLU 88 HA GLU 88 -2.163 6.754 6.796 648 1HB GLU 88 1HB GLU 88 -3.035 4.747 8.301 649 2HB GLU 88 2HB GLU 88 -3.957 6.222 8.090 650 1HG GLU 88 1HG GLU 88 -5.166 4.878 6.103 651 2HG GLU 88 2HG GLU 88 -4.479 3.459 6.872 652 H ASP 89 H ASP 89 -0.141 6.303 6.268 653 HA ASP 89 HA ASP 89 0.728 3.374 6.047 654 1HB ASP 89 1HB ASP 89 0.985 4.336 3.809 655 2HB ASP 89 2HB ASP 89 2.540 3.943 4.507 656 H ALA 90 H ALA 90 0.838 3.606 8.358 657 HA ALA 90 HA ALA 90 3.610 4.369 9.278 658 1HB ALA 90 1HB ALA 90 2.827 5.754 11.217 659 2HB ALA 90 2HB ALA 90 2.380 6.518 9.679 660 3HB ALA 90 3HB ALA 90 1.144 5.667 10.638 Start of MODEL 29 Raw file had 660 H/Q atoms Start of MODEL 29 1 1H ALA 1 1H ALA 1 -16.932 -1.196 -11.525 2 2H ALA 1 2H ALA 1 -16.037 0.227 -11.486 3 3H ALA 1 3H ALA 1 -17.388 0.057 -10.500 4 HA ALA 1 HA ALA 1 -17.638 -0.189 -13.410 5 1HB ALA 1 1HB ALA 1 -19.484 0.267 -11.039 6 2HB ALA 1 2HB ALA 1 -19.692 -0.795 -12.444 7 3HB ALA 1 3HB ALA 1 -19.971 0.958 -12.605 8 H SER 2 H SER 2 -18.921 1.978 -14.101 9 HA SER 2 HA SER 2 -18.744 4.315 -14.682 10 1HB SER 2 1HB SER 2 -18.458 4.335 -11.958 11 2HB SER 2 2HB SER 2 -16.889 5.002 -12.418 12 HG SER 2 HG SER 2 -17.932 6.566 -13.622 13 H MET 3 H MET 3 -17.521 5.073 -16.255 14 HA MET 3 HA MET 3 -14.795 3.903 -16.795 15 1HB MET 3 1HB MET 3 -15.127 4.381 -19.025 16 2HB MET 3 2HB MET 3 -16.791 4.197 -18.502 17 1HG MET 3 1HG MET 3 -17.100 6.673 -18.431 18 2HG MET 3 2HG MET 3 -15.384 6.928 -18.773 19 1HE MET 3 1HE MET 3 -17.833 8.145 -20.185 20 2HE MET 3 2HE MET 3 -17.918 7.749 -21.927 21 3HE MET 3 3HE MET 3 -16.446 8.512 -21.259 22 H THR 4 H THR 4 -16.328 7.004 -16.080 23 HA THR 4 HA THR 4 -14.032 8.749 -16.639 24 HB THR 4 HB THR 4 -15.265 10.538 -16.029 25 HG1 THR 4 HG1 THR 4 -15.472 10.154 -13.920 26 1HG2 THR 4 1HG2 THR 4 -17.339 10.423 -17.023 27 2HG2 THR 4 2HG2 THR 4 -17.859 9.007 -16.082 28 3HG2 THR 4 3HG2 THR 4 -16.813 8.797 -17.510 29 H ASP 5 H ASP 5 -15.129 6.932 -13.842 30 HA ASP 5 HA ASP 5 -13.405 8.293 -11.828 31 1HB ASP 5 1HB ASP 5 -14.092 6.256 -10.349 32 2HB ASP 5 2HB ASP 5 -15.134 5.774 -11.669 33 H GLN 6 H GLN 6 -12.946 5.815 -14.172 34 HA GLN 6 HA GLN 6 -10.742 4.355 -12.735 35 1HB GLN 6 1HB GLN 6 -10.664 3.365 -15.310 36 2HB GLN 6 2HB GLN 6 -12.306 3.980 -15.279 37 1HG GLN 6 1HG GLN 6 -12.541 1.722 -14.614 38 2HG GLN 6 2HG GLN 6 -12.700 2.613 -13.117 39 1HE2 GLN 6 1HE2 GLN 6 -8.946 0.865 -13.507 40 2HE2 GLN 6 2HE2 GLN 6 -9.692 1.782 -14.911 41 H GLN 7 H GLN 7 -10.468 7.274 -13.449 42 HA GLN 7 HA GLN 7 -7.590 7.266 -13.999 43 1HB GLN 7 1HB GLN 7 -7.300 7.779 -16.227 44 2HB GLN 7 2HB GLN 7 -8.752 6.800 -16.375 45 1HG GLN 7 1HG GLN 7 -10.054 9.131 -16.143 46 2HG GLN 7 2HG GLN 7 -8.517 9.832 -16.625 47 1HE2 GLN 7 1HE2 GLN 7 -10.827 8.696 -19.593 48 2HE2 GLN 7 2HE2 GLN 7 -11.239 9.454 -17.974 49 H ALA 8 H ALA 8 -10.526 9.205 -14.692 50 HA ALA 8 HA ALA 8 -9.522 11.857 -14.185 51 1HB ALA 8 1HB ALA 8 -11.892 12.520 -13.815 52 2HB ALA 8 2HB ALA 8 -11.736 11.439 -15.212 53 3HB ALA 8 3HB ALA 8 -12.383 10.815 -13.674 54 H GLU 9 H GLU 9 -10.598 9.338 -11.969 55 HA GLU 9 HA GLU 9 -10.985 10.877 -9.528 56 1HB GLU 9 1HB GLU 9 -10.304 7.916 -9.959 57 2HB GLU 9 2HB GLU 9 -10.362 8.606 -8.343 58 1HG GLU 9 1HG GLU 9 -12.788 9.052 -10.149 59 2HG GLU 9 2HG GLU 9 -12.540 7.462 -9.438 60 H ALA 10 H ALA 10 -8.154 8.884 -10.461 61 HA ALA 10 HA ALA 10 -6.454 9.749 -8.219 62 1HB ALA 10 1HB ALA 10 -4.637 8.521 -9.397 63 2HB ALA 10 2HB ALA 10 -6.129 7.564 -9.343 64 3HB ALA 10 3HB ALA 10 -5.641 8.367 -10.857 65 NH1 ARG 11 NH1 ARG 11 -5.181 13.099 -18.654 66 NH2 ARG 11 NH2 ARG 11 -3.385 11.726 -18.429 67 H ARG 11 H ARG 11 -7.040 10.963 -11.450 68 HA ARG 11 HA ARG 11 -4.560 12.569 -11.818 69 1HB ARG 11 1HB ARG 11 -6.839 11.857 -13.442 70 2HB ARG 11 2HB ARG 11 -6.821 13.611 -13.354 71 1HG ARG 11 1HG ARG 11 -4.437 13.684 -14.122 72 2HG ARG 11 2HG ARG 11 -4.391 11.922 -14.210 73 1HD ARG 11 1HD ARG 11 -6.692 12.540 -15.734 74 2HD ARG 11 2HD ARG 11 -5.610 13.876 -16.132 75 HE ARG 11 HE ARG 11 -4.614 10.990 -16.366 76 1HH1 ARG 11 1HH1 ARG 11 -2.851 11.089 -17.828 77 2HH1 ARG 11 2HH1 ARG 11 -3.168 11.985 -19.398 78 1HH2 ARG 11 1HH2 ARG 11 -5.994 13.542 -18.212 79 2HH2 ARG 11 2HH2 ARG 11 -4.859 13.229 -19.620 80 H ALA 12 H ALA 12 -7.792 13.113 -10.514 81 HA ALA 12 HA ALA 12 -7.648 16.041 -10.165 82 1HB ALA 12 1HB ALA 12 -9.608 15.775 -8.660 83 2HB ALA 12 2HB ALA 12 -9.820 14.854 -10.163 84 3HB ALA 12 3HB ALA 12 -9.403 14.006 -8.653 85 H PHE 13 H PHE 13 -6.586 13.259 -8.285 86 HA PHE 13 HA PHE 13 -6.084 14.638 -5.736 87 1HB PHE 13 1HB PHE 13 -6.422 12.099 -6.201 88 2HB PHE 13 2HB PHE 13 -4.735 12.034 -6.640 89 HD1 PHE 13 HD1 PHE 13 -4.347 10.430 -4.732 90 HD2 PHE 13 HD2 PHE 13 -5.791 14.412 -3.963 91 HE1 PHE 13 HE1 PHE 13 -3.819 10.173 -2.342 92 HE2 PHE 13 HE2 PHE 13 -5.249 14.137 -1.580 93 HZ PHE 13 HZ PHE 13 -4.268 12.022 -0.763 94 H LEU 14 H LEU 14 -3.817 13.313 -8.176 95 HA LEU 14 HA LEU 14 -1.574 15.130 -7.165 96 1HB LEU 14 1HB LEU 14 -0.064 13.517 -7.701 97 2HB LEU 14 2HB LEU 14 -0.820 13.145 -9.235 98 HG LEU 14 HG LEU 14 -2.341 12.133 -6.840 99 1HD1 LEU 14 1HD1 LEU 14 -2.594 10.111 -8.284 100 2HD1 LEU 14 2HD1 LEU 14 -3.038 11.578 -9.175 101 3HD1 LEU 14 3HD1 LEU 14 -1.469 10.795 -9.485 102 1HD2 LEU 14 1HD2 LEU 14 0.406 10.898 -7.554 103 2HD2 LEU 14 2HD2 LEU 14 -0.022 11.685 -6.015 104 3HD2 LEU 14 3HD2 LEU 14 -0.812 10.170 -6.475 105 H SER 15 H SER 15 -0.800 16.703 -8.378 106 HA SER 15 HA SER 15 -2.224 17.744 -10.728 107 1HB SER 15 1HB SER 15 -0.645 18.917 -8.868 108 2HB SER 15 2HB SER 15 0.570 18.732 -10.136 109 HG SER 15 HG SER 15 -0.883 20.656 -10.076 110 H GLU 16 H GLU 16 -0.528 18.534 -12.582 111 HA GLU 16 HA GLU 16 0.132 16.055 -14.120 112 1HB GLU 16 1HB GLU 16 -0.906 18.372 -14.949 113 2HB GLU 16 2HB GLU 16 0.770 18.840 -15.156 114 1HG GLU 16 1HG GLU 16 -0.326 16.247 -16.405 115 2HG GLU 16 2HG GLU 16 1.164 17.082 -16.810 116 H GLU 17 H GLU 17 1.804 18.637 -12.436 117 HA GLU 17 HA GLU 17 4.510 18.243 -13.542 118 1HB GLU 17 1HB GLU 17 5.372 19.719 -11.913 119 2HB GLU 17 2HB GLU 17 3.784 20.332 -12.333 120 1HG GLU 17 1HG GLU 17 4.356 18.663 -9.798 121 2HG GLU 17 2HG GLU 17 2.829 19.430 -10.199 122 H MET 18 H MET 18 2.701 16.842 -10.861 123 HA MET 18 HA MET 18 4.946 15.196 -9.769 124 1HB MET 18 1HB MET 18 1.987 14.673 -9.183 125 2HB MET 18 2HB MET 18 3.388 14.264 -8.209 126 1HG MET 18 1HG MET 18 2.651 17.202 -8.753 127 2HG MET 18 2HG MET 18 1.939 16.277 -7.420 128 1HE MET 18 1HE MET 18 3.914 14.477 -6.040 129 2HE MET 18 2HE MET 18 4.821 15.579 -4.962 130 3HE MET 18 3HE MET 18 3.057 15.788 -5.169 131 H ILE 19 H ILE 19 2.197 14.769 -11.951 132 HA ILE 19 HA ILE 19 2.261 11.920 -12.459 133 HB ILE 19 HB ILE 19 1.388 14.286 -14.129 134 1HG1 ILE 19 1HG1 ILE 19 -0.227 11.759 -13.461 135 2HG1 ILE 19 2HG1 ILE 19 -0.011 13.014 -12.259 136 1HG2 ILE 19 1HG2 ILE 19 0.723 12.818 -16.049 137 2HG2 ILE 19 2HG2 ILE 19 2.474 12.794 -15.844 138 3HG2 ILE 19 3HG2 ILE 19 1.504 11.415 -15.277 139 1HD1 ILE 19 1HD1 ILE 19 -1.398 13.440 -14.972 140 2HD1 ILE 19 2HD1 ILE 19 -2.147 13.384 -13.364 141 3HD1 ILE 19 3HD1 ILE 19 -1.064 14.731 -13.786 142 H ALA 20 H ALA 20 4.318 14.572 -13.559 143 HA ALA 20 HA ALA 20 5.770 13.412 -15.726 144 1HB ALA 20 1HB ALA 20 7.588 15.035 -15.201 145 2HB ALA 20 2HB ALA 20 5.988 15.793 -15.084 146 3HB ALA 20 3HB ALA 20 6.878 15.360 -13.602 147 H GLU 21 H GLU 21 6.626 13.324 -12.250 148 HA GLU 21 HA GLU 21 9.097 11.829 -12.430 149 1HB GLU 21 1HB GLU 21 8.527 11.138 -9.972 150 2HB GLU 21 2HB GLU 21 7.099 12.140 -10.141 151 1HG GLU 21 1HG GLU 21 10.041 12.993 -10.140 152 2HG GLU 21 2HG GLU 21 8.853 14.035 -10.905 153 H PHE 22 H PHE 22 5.726 10.820 -12.381 154 HA PHE 22 HA PHE 22 6.202 7.928 -11.914 155 1HB PHE 22 1HB PHE 22 3.651 9.254 -13.019 156 2HB PHE 22 2HB PHE 22 3.791 7.634 -12.393 157 HD1 PHE 22 HD1 PHE 22 2.765 10.877 -11.492 158 HD2 PHE 22 HD2 PHE 22 4.896 7.511 -9.861 159 HE1 PHE 22 HE1 PHE 22 2.345 11.701 -9.214 160 HE2 PHE 22 HE2 PHE 22 4.465 8.353 -7.589 161 HZ PHE 22 HZ PHE 22 3.180 10.438 -7.260 162 H LYS 23 H LYS 23 5.889 10.034 -14.713 163 HA LYS 23 HA LYS 23 5.253 8.072 -16.807 164 1HB LYS 23 1HB LYS 23 6.963 10.516 -17.435 165 2HB LYS 23 2HB LYS 23 5.740 9.741 -18.418 166 1HG LYS 23 1HG LYS 23 4.005 10.605 -16.613 167 2HG LYS 23 2HG LYS 23 5.330 11.601 -16.031 168 1HD LYS 23 1HD LYS 23 4.570 11.692 -18.998 169 2HD LYS 23 2HD LYS 23 5.470 12.891 -18.062 170 1HE LYS 23 1HE LYS 23 3.404 13.483 -16.754 171 2HE LYS 23 2HE LYS 23 2.478 12.237 -17.605 172 1HZ LYS 23 1HZ LYS 23 3.342 13.571 -19.698 173 2HZ LYS 23 2HZ LYS 23 3.464 14.812 -18.614 174 3HZ LYS 23 3HZ LYS 23 2.008 14.072 -18.861 175 H ALA 24 H ALA 24 8.275 9.242 -15.378 176 HA ALA 24 HA ALA 24 10.202 8.060 -17.224 177 1HB ALA 24 1HB ALA 24 11.864 8.359 -15.399 178 2HB ALA 24 2HB ALA 24 10.849 9.802 -15.587 179 3HB ALA 24 3HB ALA 24 10.564 8.687 -14.227 180 H ALA 25 H ALA 25 8.987 6.894 -14.063 181 HA ALA 25 HA ALA 25 10.343 4.285 -14.071 182 1HB ALA 25 1HB ALA 25 8.849 3.733 -12.160 183 2HB ALA 25 2HB ALA 25 9.555 5.349 -11.974 184 3HB ALA 25 3HB ALA 25 7.854 5.174 -12.476 185 H PHE 26 H PHE 26 7.413 5.476 -15.538 186 HA PHE 26 HA PHE 26 5.920 2.951 -15.811 187 1HB PHE 26 1HB PHE 26 4.587 4.894 -16.044 188 2HB PHE 26 2HB PHE 26 5.671 5.674 -17.165 189 HD1 PHE 26 HD1 PHE 26 3.591 2.482 -16.955 190 HD2 PHE 26 HD2 PHE 26 5.013 5.675 -19.464 191 HE1 PHE 26 HE1 PHE 26 2.152 1.695 -18.790 192 HE2 PHE 26 HE2 PHE 26 3.576 4.865 -21.292 193 HZ PHE 26 HZ PHE 26 2.155 2.871 -20.964 194 H ASP 27 H ASP 27 8.244 4.704 -17.835 195 HA ASP 27 HA ASP 27 8.147 2.943 -20.191 196 1HB ASP 27 1HB ASP 27 10.034 5.130 -19.283 197 2HB ASP 27 2HB ASP 27 10.636 3.995 -20.469 198 H MET 28 H MET 28 10.272 3.115 -17.342 199 HA MET 28 HA MET 28 12.141 1.000 -17.862 200 1HB MET 28 1HB MET 28 11.064 2.203 -15.323 201 2HB MET 28 2HB MET 28 12.714 2.036 -15.895 202 1HG MET 28 1HG MET 28 11.044 0.030 -14.327 203 2HG MET 28 2HG MET 28 12.306 -0.596 -15.401 204 1HE MET 28 1HE MET 28 11.957 2.715 -13.116 205 2HE MET 28 2HE MET 28 13.689 2.928 -12.721 206 3HE MET 28 3HE MET 28 13.147 3.012 -14.423 207 H PHE 29 H PHE 29 9.120 0.657 -15.971 208 HA PHE 29 HA PHE 29 8.919 -2.174 -15.790 209 1HB PHE 29 1HB PHE 29 6.303 -0.774 -16.369 210 2HB PHE 29 2HB PHE 29 7.238 -0.112 -15.055 211 HD1 PHE 29 HD1 PHE 29 4.984 -2.771 -16.041 212 HD2 PHE 29 HD2 PHE 29 8.008 -1.783 -13.141 213 HE1 PHE 29 HE1 PHE 29 4.127 -4.517 -14.533 214 HE2 PHE 29 HE2 PHE 29 7.131 -3.530 -11.647 215 HZ PHE 29 HZ PHE 29 5.200 -4.904 -12.341 216 H ASP 30 H ASP 30 8.087 -0.040 -18.484 217 HA ASP 30 HA ASP 30 6.893 -2.173 -20.213 218 1HB ASP 30 1HB ASP 30 7.798 0.497 -21.358 219 2HB ASP 30 2HB ASP 30 6.453 0.471 -20.241 220 H ALA 31 H ALA 31 7.814 -2.761 -22.280 221 HA ALA 31 HA ALA 31 10.821 -3.268 -22.094 222 1HB ALA 31 1HB ALA 31 10.414 -5.135 -23.703 223 2HB ALA 31 2HB ALA 31 9.415 -5.292 -22.245 224 3HB ALA 31 3HB ALA 31 8.681 -4.736 -23.771 225 H ASP 32 H ASP 32 8.253 -2.113 -24.256 226 HA ASP 32 HA ASP 32 10.193 -1.227 -26.409 227 1HB ASP 32 1HB ASP 32 8.478 -1.218 -27.886 228 2HB ASP 32 2HB ASP 32 7.402 -0.349 -26.816 229 H GLY 33 H GLY 33 7.555 0.291 -24.506 230 1HA GLY 33 1HA GLY 33 8.324 2.308 -22.964 231 2HA GLY 33 2HA GLY 33 9.195 2.866 -24.374 232 H GLY 34 H GLY 34 6.451 3.229 -22.595 233 1HA GLY 34 1HA GLY 34 4.388 4.476 -22.891 234 2HA GLY 34 2HA GLY 34 5.295 5.364 -24.123 235 H GLY 35 H GLY 35 3.541 2.309 -23.627 236 1HA GLY 35 1HA GLY 35 1.794 2.590 -25.986 237 2HA GLY 35 2HA GLY 35 3.140 1.522 -26.408 238 H ASP 36 H ASP 36 1.686 1.839 -23.204 239 HA ASP 36 HA ASP 36 0.278 0.389 -21.888 240 1HB ASP 36 1HB ASP 36 -1.117 -1.287 -22.862 241 2HB ASP 36 2HB ASP 36 -0.071 -1.516 -24.243 242 H ILE 37 H ILE 37 0.300 -2.014 -21.205 243 HA ILE 37 HA ILE 37 3.048 -3.294 -21.483 244 HB ILE 37 HB ILE 37 1.989 -3.278 -18.691 245 1HG1 ILE 37 1HG1 ILE 37 2.951 -0.705 -19.976 246 2HG1 ILE 37 2HG1 ILE 37 1.764 -0.957 -18.711 247 1HG2 ILE 37 1HG2 ILE 37 4.375 -3.421 -18.092 248 2HG2 ILE 37 2HG2 ILE 37 4.005 -4.599 -19.360 249 3HG2 ILE 37 3HG2 ILE 37 4.864 -3.096 -19.773 250 1HD1 ILE 37 1HD1 ILE 37 4.811 -1.082 -18.290 251 2HD1 ILE 37 2HD1 ILE 37 3.690 0.183 -17.741 252 3HD1 ILE 37 3HD1 ILE 37 3.596 -1.446 -17.034 253 H SER 38 H SER 38 2.598 -5.153 -22.334 254 HA SER 38 HA SER 38 0.146 -6.767 -21.786 255 1HB SER 38 1HB SER 38 1.604 -6.724 -23.962 256 2HB SER 38 2HB SER 38 0.888 -8.247 -23.429 257 HG SER 38 HG SER 38 3.079 -8.423 -23.979 258 H THR 39 H THR 39 0.749 -9.227 -21.316 259 HA THR 39 HA THR 39 1.646 -9.346 -18.474 260 HB THR 39 HB THR 39 1.339 -11.995 -19.111 261 HG1 THR 39 HG1 THR 39 0.500 -12.114 -20.961 262 1HG2 THR 39 1HG2 THR 39 -0.936 -11.891 -18.193 263 2HG2 THR 39 2HG2 THR 39 0.099 -10.776 -17.272 264 3HG2 THR 39 3HG2 THR 39 -1.042 -10.140 -18.487 265 H LYS 40 H LYS 40 2.941 -10.163 -21.640 266 HA LYS 40 HA LYS 40 5.239 -11.759 -20.822 267 1HB LYS 40 1HB LYS 40 4.472 -11.843 -23.093 268 2HB LYS 40 2HB LYS 40 4.677 -10.133 -23.369 269 1HG LYS 40 1HG LYS 40 6.381 -12.020 -24.255 270 2HG LYS 40 2HG LYS 40 6.941 -10.417 -23.857 271 1HD LYS 40 1HD LYS 40 7.390 -11.660 -21.404 272 2HD LYS 40 2HD LYS 40 7.444 -13.030 -22.475 273 1HE LYS 40 1HE LYS 40 9.105 -10.942 -23.652 274 2HE LYS 40 2HE LYS 40 9.599 -11.198 -21.983 275 1HZ LYS 40 1HZ LYS 40 9.775 -12.993 -24.273 276 2HZ LYS 40 2HZ LYS 40 9.380 -13.734 -22.850 277 3HZ LYS 40 3HZ LYS 40 10.775 -12.855 -22.965 278 H GLU 41 H GLU 41 4.687 -8.282 -21.216 279 HA GLU 41 HA GLU 41 7.527 -7.458 -20.839 280 1HB GLU 41 1HB GLU 41 6.865 -5.232 -21.148 281 2HB GLU 41 2HB GLU 41 5.237 -5.501 -20.562 282 1HG GLU 41 1HG GLU 41 6.172 -6.769 -23.200 283 2HG GLU 41 2HG GLU 41 4.533 -6.550 -22.627 284 H LEU 42 H LEU 42 4.615 -7.680 -18.854 285 HA LEU 42 HA LEU 42 5.349 -6.118 -16.544 286 1HB LEU 42 1HB LEU 42 3.385 -8.305 -17.095 287 2HB LEU 42 2HB LEU 42 3.918 -8.268 -15.428 288 HG LEU 42 HG LEU 42 3.338 -5.558 -15.864 289 1HD1 LEU 42 1HD1 LEU 42 1.324 -7.649 -14.826 290 2HD1 LEU 42 2HD1 LEU 42 2.702 -7.059 -13.885 291 3HD1 LEU 42 3HD1 LEU 42 1.419 -5.926 -14.378 292 1HD2 LEU 42 1HD2 LEU 42 1.157 -5.386 -17.011 293 2HD2 LEU 42 2HD2 LEU 42 2.314 -6.136 -18.138 294 3HD2 LEU 42 3HD2 LEU 42 1.114 -7.143 -17.307 295 H GLY 43 H GLY 43 6.101 -9.479 -17.392 296 1HA GLY 43 1HA GLY 43 7.533 -11.153 -16.377 297 2HA GLY 43 2HA GLY 43 7.277 -10.315 -14.843 298 H THR 44 H THR 44 8.597 -8.722 -17.682 299 HA THR 44 HA THR 44 11.393 -9.212 -17.471 300 HB THR 44 HB THR 44 9.869 -6.821 -18.541 301 HG1 THR 44 HG1 THR 44 9.929 -8.386 -19.934 302 1HG2 THR 44 1HG2 THR 44 11.979 -5.837 -19.452 303 2HG2 THR 44 2HG2 THR 44 11.938 -5.738 -17.679 304 3HG2 THR 44 3HG2 THR 44 12.946 -6.972 -18.478 305 H VAL 45 H VAL 45 9.555 -6.562 -15.935 306 HA VAL 45 HA VAL 45 11.903 -5.539 -14.404 307 HB VAL 45 HB VAL 45 9.129 -4.612 -14.899 308 1HG1 VAL 45 1HG1 VAL 45 11.672 -2.988 -14.264 309 2HG1 VAL 45 2HG1 VAL 45 11.283 -3.591 -15.880 310 3HG1 VAL 45 3HG1 VAL 45 10.197 -2.423 -15.092 311 1HG2 VAL 45 1HG2 VAL 45 8.841 -3.190 -12.934 312 2HG2 VAL 45 2HG2 VAL 45 9.071 -4.845 -12.325 313 3HG2 VAL 45 3HG2 VAL 45 10.409 -3.690 -12.248 314 H MET 46 H MET 46 9.190 -7.704 -13.862 315 HA MET 46 HA MET 46 9.113 -7.902 -10.980 316 1HB MET 46 1HB MET 46 8.442 -9.909 -13.177 317 2HB MET 46 2HB MET 46 8.488 -10.441 -11.506 318 1HG MET 46 1HG MET 46 6.889 -8.164 -11.250 319 2HG MET 46 2HG MET 46 6.463 -8.706 -12.882 320 1HE MET 46 1HE MET 46 4.148 -9.736 -12.824 321 2HE MET 46 2HE MET 46 3.471 -10.560 -11.389 322 3HE MET 46 3HE MET 46 3.971 -8.848 -11.278 323 NH1 ARG 47 NH1 ARG 47 17.352 -11.607 -17.295 324 NH2 ARG 47 NH2 ARG 47 18.277 -12.933 -15.697 325 H ARG 47 H ARG 47 11.405 -9.156 -13.324 326 HA ARG 47 HA ARG 47 12.733 -11.139 -11.543 327 1HB ARG 47 1HB ARG 47 13.591 -11.903 -13.470 328 2HB ARG 47 2HB ARG 47 12.693 -10.645 -14.310 329 1HG ARG 47 1HG ARG 47 14.638 -9.071 -14.152 330 2HG ARG 47 2HG ARG 47 15.558 -10.274 -13.246 331 1HD ARG 47 1HD ARG 47 14.478 -11.264 -15.899 332 2HD ARG 47 2HD ARG 47 15.658 -9.967 -16.010 333 HE ARG 47 HE ARG 47 16.561 -12.170 -14.205 334 1HH1 ARG 47 1HH1 ARG 47 16.614 -10.939 -17.544 335 2HH1 ARG 47 2HH1 ARG 47 18.098 -11.955 -17.906 336 1HH2 ARG 47 1HH2 ARG 47 18.248 -13.278 -14.731 337 2HH2 ARG 47 2HH2 ARG 47 18.959 -13.187 -16.420 338 H MET 48 H MET 48 13.170 -7.749 -12.325 339 HA MET 48 HA MET 48 15.904 -7.190 -11.826 340 1HB MET 48 1HB MET 48 13.408 -5.550 -11.487 341 2HB MET 48 2HB MET 48 14.790 -5.002 -10.556 342 1HG MET 48 1HG MET 48 16.080 -5.284 -12.948 343 2HG MET 48 2HG MET 48 14.436 -5.077 -13.574 344 1HE MET 48 1HE MET 48 13.063 -2.861 -13.588 345 2HE MET 48 2HE MET 48 14.049 -1.371 -13.664 346 3HE MET 48 3HE MET 48 14.460 -2.765 -14.705 347 H LEU 49 H LEU 49 13.308 -7.340 -9.366 348 HA LEU 49 HA LEU 49 14.785 -6.710 -6.995 349 1HB LEU 49 1HB LEU 49 12.459 -6.875 -6.668 350 2HB LEU 49 2HB LEU 49 13.119 -8.201 -5.737 351 HG LEU 49 HG LEU 49 12.397 -9.091 -8.477 352 1HD1 LEU 49 1HD1 LEU 49 10.074 -8.021 -6.755 353 2HD1 LEU 49 2HD1 LEU 49 10.694 -7.213 -8.207 354 3HD1 LEU 49 3HD1 LEU 49 9.950 -8.826 -8.340 355 1HD2 LEU 49 1HD2 LEU 49 11.268 -10.926 -7.290 356 2HD2 LEU 49 2HD2 LEU 49 12.799 -10.611 -6.437 357 3HD2 LEU 49 3HD2 LEU 49 11.276 -10.020 -5.755 358 H GLY 50 H GLY 50 14.120 -9.984 -8.289 359 1HA GLY 50 1HA GLY 50 16.481 -11.281 -8.645 360 2HA GLY 50 2HA GLY 50 16.623 -11.059 -6.895 361 H GLN 51 H GLN 51 13.904 -11.959 -9.029 362 HA GLN 51 HA GLN 51 13.642 -14.659 -7.594 363 1HB GLN 51 1HB GLN 51 11.004 -13.903 -8.412 364 2HB GLN 51 2HB GLN 51 11.670 -12.484 -7.625 365 1HG GLN 51 1HG GLN 51 11.275 -15.275 -6.422 366 2HG GLN 51 2HG GLN 51 10.499 -13.782 -5.945 367 1HE2 GLN 51 1HE2 GLN 51 13.356 -12.674 -3.946 368 2HE2 GLN 51 2HE2 GLN 51 11.886 -12.115 -4.891 369 H ASN 52 H ASN 52 11.710 -15.768 -9.089 370 HA ASN 52 HA ASN 52 12.099 -15.263 -12.012 371 1HB ASN 52 1HB ASN 52 12.791 -18.089 -11.078 372 2HB ASN 52 2HB ASN 52 14.024 -16.847 -11.088 373 1HD2 ASN 52 1HD2 ASN 52 13.892 -18.798 -14.402 374 2HD2 ASN 52 2HD2 ASN 52 13.999 -19.257 -12.629 375 HA PRO 53 HA PRO 53 7.827 -16.993 -10.934 376 1HB PRO 53 1HB PRO 53 6.917 -14.827 -10.928 377 2HB PRO 53 2HB PRO 53 6.329 -15.333 -12.520 378 1HG PRO 53 1HG PRO 53 8.006 -14.219 -13.730 379 2HG PRO 53 2HG PRO 53 7.888 -13.102 -12.350 380 1HD PRO 53 1HD PRO 53 9.957 -13.890 -11.430 381 2HD PRO 53 2HD PRO 53 10.258 -14.443 -13.104 382 H THR 54 H THR 54 5.936 -17.598 -12.555 383 HA THR 54 HA THR 54 7.128 -19.040 -14.979 384 HB THR 54 HB THR 54 5.908 -20.242 -12.833 385 HG1 THR 54 HG1 THR 54 7.112 -21.061 -14.660 386 1HG2 THR 54 1HG2 THR 54 3.725 -21.167 -13.538 387 2HG2 THR 54 2HG2 THR 54 3.606 -19.399 -13.386 388 3HG2 THR 54 3HG2 THR 54 3.715 -20.150 -14.999 389 H LYS 55 H LYS 55 5.728 -19.278 -16.816 390 HA LYS 55 HA LYS 55 4.729 -16.721 -17.773 391 1HB LYS 55 1HB LYS 55 4.060 -19.458 -19.020 392 2HB LYS 55 2HB LYS 55 5.634 -18.707 -19.181 393 1HG LYS 55 1HG LYS 55 3.313 -16.976 -19.990 394 2HG LYS 55 2HG LYS 55 4.910 -17.105 -20.705 395 1HD LYS 55 1HD LYS 55 4.301 -19.056 -22.018 396 2HD LYS 55 2HD LYS 55 2.935 -17.958 -22.128 397 1HE LYS 55 1HE LYS 55 3.124 -20.505 -20.437 398 2HE LYS 55 2HE LYS 55 1.855 -19.317 -20.148 399 1HZ LYS 55 1HZ LYS 55 2.178 -20.177 -22.928 400 2HZ LYS 55 2HZ LYS 55 0.796 -19.919 -22.060 401 3HZ LYS 55 3HZ LYS 55 1.634 -21.331 -21.878 402 H GLU 56 H GLU 56 3.149 -19.584 -16.442 403 HA GLU 56 HA GLU 56 0.358 -18.811 -16.932 404 1HB GLU 56 1HB GLU 56 1.748 -20.949 -15.364 405 2HB GLU 56 2HB GLU 56 0.167 -20.505 -14.752 406 1HG GLU 56 1HG GLU 56 0.705 -21.345 -17.676 407 2HG GLU 56 2HG GLU 56 0.210 -22.456 -16.411 408 H GLU 57 H GLU 57 2.681 -18.233 -14.344 409 HA GLU 57 HA GLU 57 0.811 -17.196 -12.300 410 1HB GLU 57 1HB GLU 57 3.757 -16.455 -12.352 411 2HB GLU 57 2HB GLU 57 3.264 -18.102 -12.022 412 1HG GLU 57 1HG GLU 57 1.792 -16.103 -10.329 413 2HG GLU 57 2HG GLU 57 2.554 -17.619 -9.863 414 H LEU 58 H LEU 58 2.661 -15.807 -14.956 415 HA LEU 58 HA LEU 58 2.405 -12.958 -14.400 416 1HB LEU 58 1HB LEU 58 3.186 -14.671 -16.679 417 2HB LEU 58 2HB LEU 58 2.291 -13.268 -17.225 418 HG LEU 58 HG LEU 58 4.702 -12.797 -17.255 419 1HD1 LEU 58 1HD1 LEU 58 4.819 -13.221 -14.196 420 2HD1 LEU 58 2HD1 LEU 58 5.380 -14.425 -15.365 421 3HD1 LEU 58 3HD1 LEU 58 6.177 -12.835 -15.283 422 1HD2 LEU 58 1HD2 LEU 58 4.748 -10.669 -16.010 423 2HD2 LEU 58 2HD2 LEU 58 3.100 -10.920 -16.637 424 3HD2 LEU 58 3HD2 LEU 58 3.447 -11.218 -14.924 425 H ASP 59 H ASP 59 0.263 -15.368 -15.823 426 HA ASP 59 HA ASP 59 -1.811 -13.493 -16.816 427 1HB ASP 59 1HB ASP 59 -1.433 -15.792 -17.805 428 2HB ASP 59 2HB ASP 59 -2.082 -16.514 -16.351 429 H ALA 60 H ALA 60 -1.225 -15.315 -13.864 430 HA ALA 60 HA ALA 60 -3.832 -14.967 -12.562 431 1HB ALA 60 1HB ALA 60 -2.657 -15.641 -10.473 432 2HB ALA 60 2HB ALA 60 -2.229 -16.703 -11.829 433 3HB ALA 60 3HB ALA 60 -1.074 -15.466 -11.269 434 H ILE 61 H ILE 61 -0.889 -13.031 -12.722 435 HA ILE 61 HA ILE 61 -1.427 -11.170 -10.512 436 HB ILE 61 HB ILE 61 0.574 -11.329 -12.715 437 1HG1 ILE 61 1HG1 ILE 61 1.869 -11.781 -10.902 438 2HG1 ILE 61 2HG1 ILE 61 0.532 -11.450 -9.821 439 1HG2 ILE 61 1HG2 ILE 61 1.358 -8.952 -12.520 440 2HG2 ILE 61 2HG2 ILE 61 -0.267 -9.015 -13.200 441 3HG2 ILE 61 3HG2 ILE 61 -0.044 -8.554 -11.497 442 1HD1 ILE 61 1HD1 ILE 61 1.132 -9.052 -9.619 443 2HD1 ILE 61 2HD1 ILE 61 2.528 -10.084 -9.240 444 3HD1 ILE 61 3HD1 ILE 61 2.444 -9.256 -10.812 445 H ILE 62 H ILE 62 -2.140 -11.184 -13.987 446 HA ILE 62 HA ILE 62 -3.309 -8.450 -14.097 447 HB ILE 62 HB ILE 62 -3.309 -10.754 -16.101 448 1HG1 ILE 62 1HG1 ILE 62 -1.615 -8.294 -15.663 449 2HG1 ILE 62 2HG1 ILE 62 -1.176 -9.860 -16.311 450 1HG2 ILE 62 1HG2 ILE 62 -4.356 -9.225 -17.795 451 2HG2 ILE 62 2HG2 ILE 62 -5.463 -9.497 -16.450 452 3HG2 ILE 62 3HG2 ILE 62 -4.568 -7.964 -16.555 453 1HD1 ILE 62 1HD1 ILE 62 -2.594 -7.658 -17.926 454 2HD1 ILE 62 2HD1 ILE 62 -0.913 -8.210 -18.079 455 3HD1 ILE 62 3HD1 ILE 62 -2.244 -9.300 -18.532 456 H GLU 63 H GLU 63 -4.461 -11.767 -13.692 457 HA GLU 63 HA GLU 63 -7.289 -11.539 -13.862 458 1HB GLU 63 1HB GLU 63 -5.750 -13.599 -13.227 459 2HB GLU 63 2HB GLU 63 -6.087 -13.143 -11.569 460 1HG GLU 63 1HG GLU 63 -8.322 -13.687 -13.626 461 2HG GLU 63 2HG GLU 63 -7.603 -14.955 -12.648 462 H GLU 64 H GLU 64 -5.316 -11.045 -10.912 463 HA GLU 64 HA GLU 64 -7.351 -10.246 -9.071 464 1HB GLU 64 1HB GLU 64 -4.382 -9.804 -9.216 465 2HB GLU 64 2HB GLU 64 -5.257 -8.722 -8.150 466 1HG GLU 64 1HG GLU 64 -6.325 -10.937 -7.126 467 2HG GLU 64 2HG GLU 64 -4.696 -10.460 -6.679 468 H VAL 65 H VAL 65 -5.075 -7.827 -10.355 469 HA VAL 65 HA VAL 65 -6.996 -5.589 -10.139 470 HB VAL 65 HB VAL 65 -4.335 -5.579 -10.065 471 1HG1 VAL 65 1HG1 VAL 65 -3.278 -4.670 -12.142 472 2HG1 VAL 65 2HG1 VAL 65 -3.934 -6.294 -12.426 473 3HG1 VAL 65 3HG1 VAL 65 -4.804 -4.867 -13.039 474 1HG2 VAL 65 1HG2 VAL 65 -5.941 -3.197 -11.223 475 2HG2 VAL 65 2HG2 VAL 65 -5.723 -3.580 -9.498 476 3HG2 VAL 65 3HG2 VAL 65 -4.328 -3.101 -10.476 477 H ASP 66 H ASP 66 -6.367 -4.270 -12.636 478 HA ASP 66 HA ASP 66 -7.355 -3.943 -14.796 479 1HB ASP 66 1HB ASP 66 -7.383 -6.926 -15.336 480 2HB ASP 66 2HB ASP 66 -5.835 -6.174 -15.027 481 H GLU 67 H GLU 67 -9.153 -3.502 -13.155 482 HA GLU 67 HA GLU 67 -11.503 -5.387 -13.170 483 1HB GLU 67 1HB GLU 67 -12.475 -4.057 -11.500 484 2HB GLU 67 2HB GLU 67 -10.761 -4.052 -11.127 485 1HG GLU 67 1HG GLU 67 -10.508 -1.750 -11.617 486 2HG GLU 67 2HG GLU 67 -11.800 -1.734 -12.804 487 H ASP 68 H ASP 68 -10.529 -4.149 -15.699 488 HA ASP 68 HA ASP 68 -12.996 -2.531 -16.519 489 1HB ASP 68 1HB ASP 68 -11.647 -0.843 -17.119 490 2HB ASP 68 2HB ASP 68 -11.120 -1.843 -18.453 491 H GLY 69 H GLY 69 -10.487 -4.857 -17.497 492 1HA GLY 69 1HA GLY 69 -11.055 -7.051 -18.618 493 2HA GLY 69 2HA GLY 69 -12.515 -6.294 -19.271 494 H SER 70 H SER 70 -9.043 -5.454 -19.277 495 HA SER 70 HA SER 70 -9.190 -4.905 -22.293 496 1HB SER 70 1HB SER 70 -7.188 -3.334 -21.807 497 2HB SER 70 2HB SER 70 -8.796 -2.812 -21.297 498 HG SER 70 HG SER 70 -7.514 -2.500 -19.597 499 H GLY 71 H GLY 71 -7.259 -6.236 -19.624 500 1HA GLY 71 1HA GLY 71 -5.810 -8.234 -19.676 501 2HA GLY 71 2HA GLY 71 -5.962 -8.261 -21.438 502 H THR 72 H THR 72 -5.120 -5.370 -19.636 503 HA THR 72 HA THR 72 -2.167 -5.590 -20.052 504 HB THR 72 HB THR 72 -1.856 -3.648 -21.509 505 HG1 THR 72 HG1 THR 72 -4.249 -3.058 -20.912 506 1HG2 THR 72 1HG2 THR 72 -2.561 -4.533 -23.696 507 2HG2 THR 72 2HG2 THR 72 -1.973 -5.878 -22.694 508 3HG2 THR 72 3HG2 THR 72 -3.723 -5.649 -22.946 509 H ILE 73 H ILE 73 -1.348 -3.089 -19.685 510 HA ILE 73 HA ILE 73 -2.875 -1.829 -17.369 511 HB ILE 73 HB ILE 73 0.080 -2.584 -17.106 512 1HG1 ILE 73 1HG1 ILE 73 -2.412 -4.094 -16.317 513 2HG1 ILE 73 2HG1 ILE 73 -0.814 -4.691 -16.713 514 1HG2 ILE 73 1HG2 ILE 73 -0.089 -1.753 -14.764 515 2HG2 ILE 73 2HG2 ILE 73 -0.558 -0.465 -15.882 516 3HG2 ILE 73 3HG2 ILE 73 -1.809 -1.354 -14.978 517 1HD1 ILE 73 1HD1 ILE 73 -1.582 -3.500 -13.984 518 2HD1 ILE 73 2HD1 ILE 73 -1.269 -5.204 -14.376 519 3HD1 ILE 73 3HD1 ILE 73 0.062 -4.024 -14.443 520 H ASP 74 H ASP 74 -3.312 -0.424 -19.189 521 HA ASP 74 HA ASP 74 -1.216 1.135 -20.559 522 1HB ASP 74 1HB ASP 74 -2.890 2.279 -21.698 523 2HB ASP 74 2HB ASP 74 -3.986 2.314 -20.336 524 H PHE 75 H PHE 75 -0.862 3.430 -20.320 525 HA PHE 75 HA PHE 75 -0.128 4.349 -17.674 526 1HB PHE 75 1HB PHE 75 -0.764 6.129 -20.107 527 2HB PHE 75 2HB PHE 75 0.741 5.279 -19.883 528 HD1 PHE 75 HD1 PHE 75 -1.096 8.302 -19.103 529 HD2 PHE 75 HD2 PHE 75 2.165 5.852 -17.729 530 HE1 PHE 75 HE1 PHE 75 -0.237 10.179 -17.764 531 HE2 PHE 75 HE2 PHE 75 3.004 7.742 -16.391 532 HZ PHE 75 HZ PHE 75 1.815 9.906 -16.414 533 H GLU 76 H GLU 76 -3.179 4.390 -19.370 534 HA GLU 76 HA GLU 76 -4.461 6.429 -17.543 535 1HB GLU 76 1HB GLU 76 -5.375 5.032 -20.080 536 2HB GLU 76 2HB GLU 76 -6.554 5.768 -19.015 537 1HG GLU 76 1HG GLU 76 -4.753 7.044 -20.975 538 2HG GLU 76 2HG GLU 76 -6.233 7.641 -20.256 539 H GLU 77 H GLU 77 -3.533 4.178 -16.220 540 HA GLU 77 HA GLU 77 -5.956 3.311 -14.739 541 1HB GLU 77 1HB GLU 77 -6.474 1.395 -15.717 542 2HB GLU 77 2HB GLU 77 -5.213 1.612 -16.910 543 1HG GLU 77 1HG GLU 77 -3.574 0.534 -15.144 544 2HG GLU 77 2HG GLU 77 -5.020 0.058 -14.262 545 H PHE 78 H PHE 78 -2.527 2.759 -15.457 546 HA PHE 78 HA PHE 78 -1.639 1.532 -12.999 547 1HB PHE 78 1HB PHE 78 -0.038 3.531 -14.717 548 2HB PHE 78 2HB PHE 78 -0.236 1.844 -15.115 549 HD1 PHE 78 HD1 PHE 78 -0.047 1.149 -11.869 550 HD2 PHE 78 HD2 PHE 78 2.450 3.152 -14.742 551 HE1 PHE 78 HE1 PHE 78 1.944 0.628 -10.518 552 HE2 PHE 78 HE2 PHE 78 4.430 2.619 -13.381 553 HZ PHE 78 HZ PHE 78 4.184 1.349 -11.276 554 H LEU 79 H LEU 79 -2.315 4.888 -13.828 555 HA LEU 79 HA LEU 79 -1.108 6.228 -11.527 556 1HB LEU 79 1HB LEU 79 -2.911 8.069 -12.067 557 2HB LEU 79 2HB LEU 79 -3.372 7.058 -13.419 558 HG LEU 79 HG LEU 79 -1.454 7.527 -14.659 559 1HD1 LEU 79 1HD1 LEU 79 -0.911 9.956 -14.473 560 2HD1 LEU 79 2HD1 LEU 79 -2.651 9.687 -14.265 561 3HD1 LEU 79 3HD1 LEU 79 -1.630 10.020 -12.844 562 1HD2 LEU 79 1HD2 LEU 79 0.130 8.135 -12.072 563 2HD2 LEU 79 2HD2 LEU 79 0.265 6.662 -13.063 564 3HD2 LEU 79 3HD2 LEU 79 0.779 8.218 -13.729 565 H VAL 80 H VAL 80 -4.379 4.961 -12.127 566 HA VAL 80 HA VAL 80 -5.603 5.814 -9.578 567 HB VAL 80 HB VAL 80 -6.445 4.115 -11.875 568 1HG1 VAL 80 1HG1 VAL 80 -8.348 3.018 -10.673 569 2HG1 VAL 80 2HG1 VAL 80 -6.797 2.411 -10.079 570 3HG1 VAL 80 3HG1 VAL 80 -7.712 3.587 -9.108 571 1HG2 VAL 80 1HG2 VAL 80 -8.051 6.032 -10.061 572 2HG2 VAL 80 2HG2 VAL 80 -7.282 6.481 -11.601 573 3HG2 VAL 80 3HG2 VAL 80 -8.610 5.310 -11.590 574 H MET 81 H MET 81 -3.733 3.042 -10.679 575 HA MET 81 HA MET 81 -4.102 1.163 -8.505 576 1HB MET 81 1HB MET 81 -2.633 1.051 -10.804 577 2HB MET 81 2HB MET 81 -1.329 1.394 -9.682 578 1HG MET 81 1HG MET 81 -2.353 -0.648 -8.261 579 2HG MET 81 2HG MET 81 -3.112 -1.079 -9.802 580 1HE MET 81 1HE MET 81 0.180 -0.627 -7.760 581 2HE MET 81 2HE MET 81 1.476 -0.860 -8.971 582 3HE MET 81 3HE MET 81 0.506 0.641 -8.984 583 H MET 82 H MET 82 -1.532 3.615 -8.932 584 HA MET 82 HA MET 82 -0.284 3.184 -6.296 585 1HB MET 82 1HB MET 82 0.063 5.253 -8.496 586 2HB MET 82 2HB MET 82 0.733 5.603 -6.914 587 1HG MET 82 1HG MET 82 1.385 2.860 -8.040 588 2HG MET 82 2HG MET 82 2.087 4.252 -8.875 589 1HE MET 82 1HE MET 82 4.257 2.393 -7.765 590 2HE MET 82 2HE MET 82 3.074 1.655 -6.645 591 3HE MET 82 3HE MET 82 4.566 2.400 -5.999 592 H VAL 83 H VAL 83 -2.864 5.236 -7.488 593 HA VAL 83 HA VAL 83 -2.885 7.285 -5.396 594 HB VAL 83 HB VAL 83 -4.494 6.688 -7.736 595 1HG1 VAL 83 1HG1 VAL 83 -6.728 7.524 -6.993 596 2HG1 VAL 83 2HG1 VAL 83 -6.336 5.998 -6.188 597 3HG1 VAL 83 3HG1 VAL 83 -6.188 7.530 -5.295 598 1HG2 VAL 83 1HG2 VAL 83 -4.316 9.272 -6.048 599 2HG2 VAL 83 2HG2 VAL 83 -3.263 8.852 -7.419 600 3HG2 VAL 83 3HG2 VAL 83 -4.987 9.139 -7.695 601 NH1 ARG 84 NH1 ARG 84 -8.041 -1.216 -7.811 602 NH2 ARG 84 NH2 ARG 84 -8.762 -2.140 -5.865 603 H ARG 84 H ARG 84 -4.661 4.223 -5.827 604 HA ARG 84 HA ARG 84 -6.547 4.300 -3.646 605 1HB ARG 84 1HB ARG 84 -5.131 2.007 -5.075 606 2HB ARG 84 2HB ARG 84 -6.025 1.665 -3.601 607 1HG ARG 84 1HG ARG 84 -7.460 3.305 -5.716 608 2HG ARG 84 2HG ARG 84 -8.130 2.187 -4.525 609 1HD ARG 84 1HD ARG 84 -6.297 0.757 -6.364 610 2HD ARG 84 2HD ARG 84 -7.537 1.615 -7.281 611 HE ARG 84 HE ARG 84 -8.990 0.285 -5.205 612 1HH1 ARG 84 1HH1 ARG 84 -8.990 -2.006 -4.874 613 2HH1 ARG 84 2HH1 ARG 84 -8.818 -3.016 -6.396 614 1HH2 ARG 84 1HH2 ARG 84 -7.667 -0.390 -8.291 615 2HH2 ARG 84 2HH2 ARG 84 -8.209 -2.142 -8.220 616 H GLN 85 H GLN 85 -3.206 3.006 -3.656 617 HA GLN 85 HA GLN 85 -3.172 2.283 -0.777 618 1HB GLN 85 1HB GLN 85 -1.007 2.427 -2.932 619 2HB GLN 85 2HB GLN 85 -0.584 2.172 -1.249 620 1HG GLN 85 1HG GLN 85 -1.397 0.209 -3.164 621 2HG GLN 85 2HG GLN 85 -2.749 0.317 -2.058 622 1HE2 GLN 85 1HE2 GLN 85 0.907 -0.978 -0.512 623 2HE2 GLN 85 2HE2 GLN 85 0.846 0.082 -2.008 624 H MET 86 H MET 86 -2.214 5.063 -2.717 625 HA MET 86 HA MET 86 -0.492 6.511 -0.915 626 1HB MET 86 1HB MET 86 -2.119 8.477 -2.285 627 2HB MET 86 2HB MET 86 -1.903 7.128 -3.385 628 1HG MET 86 1HG MET 86 0.685 7.805 -2.109 629 2HG MET 86 2HG MET 86 0.266 7.691 -3.826 630 1HE MET 86 1HE MET 86 -2.367 9.768 -3.795 631 2HE MET 86 2HE MET 86 -1.566 11.269 -4.347 632 3HE MET 86 3HE MET 86 -1.192 9.715 -5.146 633 H LYS 87 H LYS 87 -4.005 6.270 -1.085 634 HA LYS 87 HA LYS 87 -4.920 8.418 0.573 635 1HB LYS 87 1HB LYS 87 -6.035 5.597 0.179 636 2HB LYS 87 2HB LYS 87 -6.732 6.649 1.402 637 1HG LYS 87 1HG LYS 87 -7.718 6.593 -1.076 638 2HG LYS 87 2HG LYS 87 -6.430 7.728 -1.443 639 1HD LYS 87 1HD LYS 87 -7.571 8.818 0.910 640 2HD LYS 87 2HD LYS 87 -7.799 9.373 -0.745 641 1HE LYS 87 1HE LYS 87 -9.601 7.104 0.246 642 2HE LYS 87 2HE LYS 87 -9.930 8.748 0.810 643 1HZ LYS 87 1HZ LYS 87 -10.174 7.649 -1.882 644 2HZ LYS 87 2HZ LYS 87 -9.659 9.216 -1.790 645 3HZ LYS 87 3HZ LYS 87 -11.101 8.780 -1.113 646 H GLU 88 H GLU 88 -5.356 8.615 2.772 647 HA GLU 88 HA GLU 88 -3.566 6.950 4.622 648 1HB GLU 88 1HB GLU 88 -3.120 9.523 4.222 649 2HB GLU 88 2HB GLU 88 -4.475 9.779 5.304 650 1HG GLU 88 1HG GLU 88 -3.016 8.023 6.859 651 2HG GLU 88 2HG GLU 88 -1.706 8.688 5.900 652 H ASP 89 H ASP 89 -5.428 5.477 4.547 653 HA ASP 89 HA ASP 89 -7.906 6.305 6.108 654 1HB ASP 89 1HB ASP 89 -7.413 3.590 4.762 655 2HB ASP 89 2HB ASP 89 -8.112 4.962 3.933 656 H ALA 90 H ALA 90 -7.336 6.438 8.171 657 HA ALA 90 HA ALA 90 -5.625 4.316 9.518 658 1HB ALA 90 1HB ALA 90 -5.592 5.876 11.482 659 2HB ALA 90 2HB ALA 90 -5.070 6.713 10.007 660 3HB ALA 90 3HB ALA 90 -6.706 6.992 10.653 Start of MODEL 30 Raw file had 660 H/Q atoms Start of MODEL 30 1 1H ALA 1 1H ALA 1 -24.531 6.050 -12.435 2 2H ALA 1 2H ALA 1 -25.263 5.371 -11.082 3 3H ALA 1 3H ALA 1 -26.080 6.528 -11.988 4 HA ALA 1 HA ALA 1 -25.074 8.250 -11.080 5 1HB ALA 1 1HB ALA 1 -25.878 6.480 -9.214 6 2HB ALA 1 2HB ALA 1 -25.051 7.978 -8.747 7 3HB ALA 1 3HB ALA 1 -24.148 6.442 -8.798 8 H SER 2 H SER 2 -22.987 5.380 -11.055 9 HA SER 2 HA SER 2 -20.460 7.089 -11.161 10 1HB SER 2 1HB SER 2 -19.228 5.208 -10.391 11 2HB SER 2 2HB SER 2 -20.707 5.222 -9.428 12 HG SER 2 HG SER 2 -20.075 3.178 -10.323 13 H MET 3 H MET 3 -18.898 6.700 -12.758 14 HA MET 3 HA MET 3 -19.776 5.238 -15.300 15 1HB MET 3 1HB MET 3 -18.986 8.181 -15.050 16 2HB MET 3 2HB MET 3 -18.783 7.321 -16.565 17 1HG MET 3 1HG MET 3 -21.189 6.943 -16.795 18 2HG MET 3 2HG MET 3 -21.495 7.401 -15.114 19 1HE MET 3 1HE MET 3 -19.954 10.465 -18.328 20 2HE MET 3 2HE MET 3 -20.126 8.710 -18.627 21 3HE MET 3 3HE MET 3 -18.863 9.302 -17.510 22 H THR 4 H THR 4 -17.082 7.469 -14.755 23 HA THR 4 HA THR 4 -15.096 5.202 -14.546 24 HB THR 4 HB THR 4 -13.581 6.366 -16.272 25 HG1 THR 4 HG1 THR 4 -14.911 7.317 -17.932 26 1HG2 THR 4 1HG2 THR 4 -15.991 5.095 -17.656 27 2HG2 THR 4 2HG2 THR 4 -14.913 4.097 -16.656 28 3HG2 THR 4 3HG2 THR 4 -14.269 4.967 -18.072 29 H ASP 5 H ASP 5 -15.237 6.122 -12.368 30 HA ASP 5 HA ASP 5 -14.173 8.897 -11.864 31 1HB ASP 5 1HB ASP 5 -15.409 6.778 -10.054 32 2HB ASP 5 2HB ASP 5 -14.462 8.070 -9.352 33 H GLN 6 H GLN 6 -13.107 5.574 -11.782 34 HA GLN 6 HA GLN 6 -10.483 6.146 -10.390 35 1HB GLN 6 1HB GLN 6 -10.010 3.729 -10.736 36 2HB GLN 6 2HB GLN 6 -11.511 4.022 -9.876 37 1HG GLN 6 1HG GLN 6 -11.764 3.666 -12.872 38 2HG GLN 6 2HG GLN 6 -12.866 3.189 -11.599 39 1HE2 GLN 6 1HE2 GLN 6 -9.752 0.607 -12.599 40 2HE2 GLN 6 2HE2 GLN 6 -9.551 2.420 -12.792 41 H GLN 7 H GLN 7 -10.234 7.853 -12.170 42 HA GLN 7 HA GLN 7 -7.933 7.116 -13.816 43 1HB GLN 7 1HB GLN 7 -8.910 7.501 -16.132 44 2HB GLN 7 2HB GLN 7 -9.345 5.978 -15.371 45 1HG GLN 7 1HG GLN 7 -11.525 6.379 -15.744 46 2HG GLN 7 2HG GLN 7 -11.481 7.748 -14.642 47 1HE2 GLN 7 1HE2 GLN 7 -11.977 10.037 -17.356 48 2HE2 GLN 7 2HE2 GLN 7 -12.095 9.643 -15.568 49 H ALA 8 H ALA 8 -10.818 9.234 -13.775 50 HA ALA 8 HA ALA 8 -9.234 11.696 -14.478 51 1HB ALA 8 1HB ALA 8 -11.436 12.858 -14.418 52 2HB ALA 8 2HB ALA 8 -11.499 11.404 -15.432 53 3HB ALA 8 3HB ALA 8 -12.231 11.387 -13.807 54 H GLU 9 H GLU 9 -10.745 10.187 -11.673 55 HA GLU 9 HA GLU 9 -10.665 12.483 -9.827 56 1HB GLU 9 1HB GLU 9 -11.643 11.144 -8.254 57 2HB GLU 9 2HB GLU 9 -12.011 10.173 -9.672 58 1HG GLU 9 1HG GLU 9 -11.179 8.450 -8.407 59 2HG GLU 9 2HG GLU 9 -9.627 8.973 -9.052 60 H ALA 10 H ALA 10 -8.435 9.859 -10.607 61 HA ALA 10 HA ALA 10 -6.559 10.259 -8.352 62 1HB ALA 10 1HB ALA 10 -5.073 8.689 -9.586 63 2HB ALA 10 2HB ALA 10 -6.735 8.074 -9.501 64 3HB ALA 10 3HB ALA 10 -6.123 8.773 -11.021 65 NH1 ARG 11 NH1 ARG 11 -5.332 12.052 -17.725 66 NH2 ARG 11 NH2 ARG 11 -7.535 12.569 -17.916 67 H ARG 11 H ARG 11 -6.846 11.477 -11.643 68 HA ARG 11 HA ARG 11 -4.122 12.656 -11.918 69 1HB ARG 11 1HB ARG 11 -5.966 12.014 -13.784 70 2HB ARG 11 2HB ARG 11 -6.499 13.667 -13.518 71 1HG ARG 11 1HG ARG 11 -3.913 14.294 -13.847 72 2HG ARG 11 2HG ARG 11 -3.830 12.726 -14.655 73 1HD ARG 11 1HD ARG 11 -5.375 15.220 -15.479 74 2HD ARG 11 2HD ARG 11 -4.345 14.184 -16.469 75 HE ARG 11 HE ARG 11 -7.192 13.464 -15.594 76 1HH1 ARG 11 1HH1 ARG 11 -8.346 13.065 -17.529 77 2HH1 ARG 11 2HH1 ARG 11 -7.519 11.976 -18.753 78 1HH2 ARG 11 1HH2 ARG 11 -4.446 12.202 -17.229 79 2HH2 ARG 11 2HH2 ARG 11 -5.486 11.447 -18.540 80 H ALA 12 H ALA 12 -7.306 13.751 -10.857 81 HA ALA 12 HA ALA 12 -6.696 16.633 -10.546 82 1HB ALA 12 1HB ALA 12 -8.793 16.736 -9.214 83 2HB ALA 12 2HB ALA 12 -9.033 15.836 -10.725 84 3HB ALA 12 3HB ALA 12 -8.896 14.958 -9.181 85 H PHE 13 H PHE 13 -6.335 13.751 -8.550 86 HA PHE 13 HA PHE 13 -5.758 14.985 -5.976 87 1HB PHE 13 1HB PHE 13 -6.325 12.520 -6.514 88 2HB PHE 13 2HB PHE 13 -4.650 12.286 -6.940 89 HD1 PHE 13 HD1 PHE 13 -4.663 10.537 -5.056 90 HD2 PHE 13 HD2 PHE 13 -5.275 14.715 -4.219 91 HE1 PHE 13 HE1 PHE 13 -4.141 10.150 -2.682 92 HE2 PHE 13 HE2 PHE 13 -4.749 14.307 -1.851 93 HZ PHE 13 HZ PHE 13 -4.182 12.029 -1.077 94 H LEU 14 H LEU 14 -3.528 13.585 -8.407 95 HA LEU 14 HA LEU 14 -1.238 15.357 -7.376 96 1HB LEU 14 1HB LEU 14 0.028 13.416 -8.899 97 2HB LEU 14 2HB LEU 14 -0.079 13.441 -7.152 98 HG LEU 14 HG LEU 14 -2.320 12.053 -7.460 99 1HD1 LEU 14 1HD1 LEU 14 -2.401 10.646 -9.521 100 2HD1 LEU 14 2HD1 LEU 14 -2.549 12.365 -9.929 101 3HD1 LEU 14 3HD1 LEU 14 -1.006 11.519 -10.205 102 1HD2 LEU 14 1HD2 LEU 14 0.425 10.753 -8.055 103 2HD2 LEU 14 2HD2 LEU 14 -0.261 11.062 -6.441 104 3HD2 LEU 14 3HD2 LEU 14 -1.038 9.891 -7.516 105 H SER 15 H SER 15 -0.848 16.980 -8.649 106 HA SER 15 HA SER 15 -2.117 17.452 -11.238 107 1HB SER 15 1HB SER 15 -1.165 19.585 -11.189 108 2HB SER 15 2HB SER 15 -1.243 19.173 -9.474 109 HG SER 15 HG SER 15 0.863 18.916 -9.402 110 H GLU 16 H GLU 16 -0.231 18.530 -12.879 111 HA GLU 16 HA GLU 16 0.832 16.145 -14.299 112 1HB GLU 16 1HB GLU 16 -0.093 17.931 -15.626 113 2HB GLU 16 2HB GLU 16 0.959 19.139 -14.914 114 1HG GLU 16 1HG GLU 16 1.383 17.659 -17.321 115 2HG GLU 16 2HG GLU 16 2.537 16.963 -16.196 116 H GLU 17 H GLU 17 2.103 18.728 -12.290 117 HA GLU 17 HA GLU 17 4.973 18.418 -12.898 118 1HB GLU 17 1HB GLU 17 5.489 19.889 -11.132 119 2HB GLU 17 2HB GLU 17 3.972 20.462 -11.799 120 1HG GLU 17 1HG GLU 17 2.739 19.923 -9.852 121 2HG GLU 17 2HG GLU 17 3.795 18.595 -9.401 122 H MET 18 H MET 18 2.782 16.999 -10.505 123 HA MET 18 HA MET 18 4.860 15.382 -9.080 124 1HB MET 18 1HB MET 18 1.790 15.283 -8.937 125 2HB MET 18 2HB MET 18 2.844 14.228 -8.013 126 1HG MET 18 1HG MET 18 3.508 15.911 -6.526 127 2HG MET 18 2HG MET 18 3.405 17.196 -7.741 128 1HE MET 18 1HE MET 18 1.759 19.028 -7.347 129 2HE MET 18 2HE MET 18 0.524 18.918 -6.057 130 3HE MET 18 3HE MET 18 2.246 18.634 -5.668 131 H ILE 19 H ILE 19 2.548 14.969 -11.702 132 HA ILE 19 HA ILE 19 2.570 12.075 -11.986 133 HB ILE 19 HB ILE 19 1.798 14.350 -13.785 134 1HG1 ILE 19 1HG1 ILE 19 0.197 11.779 -13.572 135 2HG1 ILE 19 2HG1 ILE 19 0.372 12.699 -12.093 136 1HG2 ILE 19 1HG2 ILE 19 1.443 12.892 -15.793 137 2HG2 ILE 19 2HG2 ILE 19 3.159 12.975 -15.398 138 3HG2 ILE 19 3HG2 ILE 19 2.227 11.523 -14.966 139 1HD1 ILE 19 1HD1 ILE 19 -0.881 13.803 -14.676 140 2HD1 ILE 19 2HD1 ILE 19 -1.706 13.376 -13.163 141 3HD1 ILE 19 3HD1 ILE 19 -0.587 14.759 -13.198 142 H ALA 20 H ALA 20 4.763 14.624 -13.063 143 HA ALA 20 HA ALA 20 6.403 13.314 -14.999 144 1HB ALA 20 1HB ALA 20 8.198 14.927 -14.378 145 2HB ALA 20 2HB ALA 20 6.615 15.723 -14.479 146 3HB ALA 20 3HB ALA 20 7.331 15.363 -12.887 147 H GLU 21 H GLU 21 6.496 13.110 -11.467 148 HA GLU 21 HA GLU 21 9.030 11.725 -11.096 149 1HB GLU 21 1HB GLU 21 7.765 10.845 -8.911 150 2HB GLU 21 2HB GLU 21 6.536 12.002 -9.382 151 1HG GLU 21 1HG GLU 21 8.004 13.091 -7.781 152 2HG GLU 21 2HG GLU 21 9.458 12.562 -8.611 153 H PHE 22 H PHE 22 5.703 10.553 -11.541 154 HA PHE 22 HA PHE 22 6.395 7.646 -11.484 155 1HB PHE 22 1HB PHE 22 3.777 8.942 -12.461 156 2HB PHE 22 2HB PHE 22 4.034 7.257 -12.098 157 HD1 PHE 22 HD1 PHE 22 3.958 10.647 -10.452 158 HD2 PHE 22 HD2 PHE 22 3.860 6.386 -9.849 159 HE1 PHE 22 HE1 PHE 22 3.370 10.984 -8.088 160 HE2 PHE 22 HE2 PHE 22 3.256 6.744 -7.491 161 HZ PHE 22 HZ PHE 22 3.011 9.039 -6.605 162 H LYS 23 H LYS 23 6.470 10.171 -13.837 163 HA LYS 23 HA LYS 23 5.997 8.693 -16.347 164 1HB LYS 23 1HB LYS 23 6.721 11.397 -15.633 165 2HB LYS 23 2HB LYS 23 7.987 10.824 -16.695 166 1HG LYS 23 1HG LYS 23 5.567 11.946 -17.504 167 2HG LYS 23 2HG LYS 23 5.212 10.235 -17.665 168 1HD LYS 23 1HD LYS 23 7.556 11.706 -19.020 169 2HD LYS 23 2HD LYS 23 7.324 9.956 -19.097 170 1HE LYS 23 1HE LYS 23 4.914 11.624 -19.886 171 2HE LYS 23 2HE LYS 23 6.300 11.703 -20.984 172 1HZ LYS 23 1HZ LYS 23 5.154 9.876 -21.751 173 2HZ LYS 23 2HZ LYS 23 4.661 9.363 -20.260 174 3HZ LYS 23 3HZ LYS 23 6.221 9.116 -20.744 175 H ALA 24 H ALA 24 8.971 9.594 -14.576 176 HA ALA 24 HA ALA 24 10.951 8.449 -16.352 177 1HB ALA 24 1HB ALA 24 12.496 8.509 -14.404 178 2HB ALA 24 2HB ALA 24 11.553 10.006 -14.523 179 3HB ALA 24 3HB ALA 24 11.135 8.787 -13.292 180 H ALA 25 H ALA 25 9.942 7.063 -13.208 181 HA ALA 25 HA ALA 25 11.087 4.419 -13.553 182 1HB ALA 25 1HB ALA 25 9.666 3.740 -11.627 183 2HB ALA 25 2HB ALA 25 10.438 5.309 -11.333 184 3HB ALA 25 3HB ALA 25 8.710 5.235 -11.763 185 H PHE 26 H PHE 26 8.034 5.803 -14.577 186 HA PHE 26 HA PHE 26 6.333 3.551 -15.023 187 1HB PHE 26 1HB PHE 26 5.482 5.802 -15.437 188 2HB PHE 26 2HB PHE 26 6.579 6.070 -16.765 189 HD1 PHE 26 HD1 PHE 26 3.537 4.172 -15.666 190 HD2 PHE 26 HD2 PHE 26 6.059 5.138 -19.015 191 HE1 PHE 26 HE1 PHE 26 1.846 3.274 -17.213 192 HE2 PHE 26 HE2 PHE 26 4.349 4.248 -20.548 193 HZ PHE 26 HZ PHE 26 2.244 3.316 -19.652 194 H ASP 27 H ASP 27 8.726 4.938 -17.294 195 HA ASP 27 HA ASP 27 8.389 2.971 -19.432 196 1HB ASP 27 1HB ASP 27 10.013 4.076 -20.614 197 2HB ASP 27 2HB ASP 27 9.585 5.337 -19.481 198 H MET 28 H MET 28 10.434 3.116 -16.569 199 HA MET 28 HA MET 28 12.347 0.998 -17.156 200 1HB MET 28 1HB MET 28 12.143 2.694 -15.041 201 2HB MET 28 2HB MET 28 11.407 1.288 -14.294 202 1HG MET 28 1HG MET 28 13.421 -0.047 -14.493 203 2HG MET 28 2HG MET 28 14.144 1.060 -15.671 204 1HE MET 28 1HE MET 28 12.263 1.521 -12.127 205 2HE MET 28 2HE MET 28 13.098 3.009 -11.589 206 3HE MET 28 3HE MET 28 12.107 3.033 -13.077 207 H PHE 29 H PHE 29 9.083 0.959 -15.790 208 HA PHE 29 HA PHE 29 9.025 -1.964 -15.170 209 1HB PHE 29 1HB PHE 29 6.488 -0.288 -15.431 210 2HB PHE 29 2HB PHE 29 7.594 0.066 -14.131 211 HD1 PHE 29 HD1 PHE 29 5.265 -2.499 -15.501 212 HD2 PHE 29 HD2 PHE 29 7.917 -1.551 -12.245 213 HE1 PHE 29 HE1 PHE 29 4.290 -4.319 -14.161 214 HE2 PHE 29 HE2 PHE 29 6.925 -3.373 -10.922 215 HZ PHE 29 HZ PHE 29 5.116 -4.758 -11.873 216 H ASP 30 H ASP 30 8.091 0.187 -17.798 217 HA ASP 30 HA ASP 30 6.525 -1.822 -19.338 218 1HB ASP 30 1HB ASP 30 6.393 0.857 -19.395 219 2HB ASP 30 2HB ASP 30 7.608 0.701 -20.642 220 H ALA 31 H ALA 31 7.131 -2.904 -21.174 221 HA ALA 31 HA ALA 31 10.054 -3.595 -21.447 222 1HB ALA 31 1HB ALA 31 9.244 -5.450 -22.910 223 2HB ALA 31 2HB ALA 31 8.403 -5.429 -21.348 224 3HB ALA 31 3HB ALA 31 7.576 -4.838 -22.812 225 H ASP 32 H ASP 32 7.493 -1.954 -23.209 226 HA ASP 32 HA ASP 32 9.150 -1.446 -25.686 227 1HB ASP 32 1HB ASP 32 7.193 0.032 -26.404 228 2HB ASP 32 2HB ASP 32 6.355 -0.428 -24.940 229 H GLY 33 H GLY 33 7.299 0.876 -23.714 230 1HA GLY 33 1HA GLY 33 8.906 2.350 -22.116 231 2HA GLY 33 2HA GLY 33 9.722 2.725 -23.617 232 H GLY 34 H GLY 34 6.437 2.703 -22.197 233 1HA GLY 34 1HA GLY 34 5.190 4.871 -21.755 234 2HA GLY 34 2HA GLY 34 6.005 5.573 -23.158 235 H GLY 35 H GLY 35 3.737 2.988 -22.256 236 1HA GLY 35 1HA GLY 35 1.769 3.808 -24.361 237 2HA GLY 35 2HA GLY 35 2.509 2.244 -24.728 238 H ASP 36 H ASP 36 2.793 0.972 -22.432 239 HA ASP 36 HA ASP 36 0.709 0.920 -20.432 240 1HB ASP 36 1HB ASP 36 -0.873 -0.823 -21.312 241 2HB ASP 36 2HB ASP 36 -1.013 0.745 -22.073 242 H ILE 37 H ILE 37 0.448 -1.338 -19.522 243 HA ILE 37 HA ILE 37 3.048 -2.940 -19.774 244 HB ILE 37 HB ILE 37 1.796 -2.858 -17.065 245 1HG1 ILE 37 1HG1 ILE 37 2.976 -0.350 -18.262 246 2HG1 ILE 37 2HG1 ILE 37 1.767 -0.544 -17.008 247 1HG2 ILE 37 1HG2 ILE 37 4.115 -3.191 -16.300 248 2HG2 ILE 37 2HG2 ILE 37 3.746 -4.328 -17.605 249 3HG2 ILE 37 3HG2 ILE 37 4.747 -2.894 -17.938 250 1HD1 ILE 37 1HD1 ILE 37 4.797 -0.865 -16.570 251 2HD1 ILE 37 2HD1 ILE 37 3.754 0.460 -16.011 252 3HD1 ILE 37 3HD1 ILE 37 3.554 -1.169 -15.327 253 H SER 38 H SER 38 2.483 -4.713 -20.733 254 HA SER 38 HA SER 38 -0.135 -6.120 -20.393 255 1HB SER 38 1HB SER 38 0.652 -7.710 -21.979 256 2HB SER 38 2HB SER 38 1.282 -6.152 -22.520 257 HG SER 38 HG SER 38 2.669 -8.120 -21.015 258 H THR 39 H THR 39 0.582 -8.739 -20.176 259 HA THR 39 HA THR 39 1.138 -9.046 -17.239 260 HB THR 39 HB THR 39 0.858 -11.638 -18.076 261 HG1 THR 39 HG1 THR 39 -0.577 -11.738 -19.679 262 1HG2 THR 39 1HG2 THR 39 -1.491 -11.557 -17.365 263 2HG2 THR 39 2HG2 THR 39 -0.533 -10.520 -16.283 264 3HG2 THR 39 3HG2 THR 39 -1.552 -9.789 -17.551 265 H LYS 40 H LYS 40 2.614 -9.899 -20.351 266 HA LYS 40 HA LYS 40 4.885 -11.425 -19.316 267 1HB LYS 40 1HB LYS 40 3.995 -11.485 -21.670 268 2HB LYS 40 2HB LYS 40 4.696 -9.923 -22.005 269 1HG LYS 40 1HG LYS 40 6.075 -11.768 -22.887 270 2HG LYS 40 2HG LYS 40 6.086 -12.596 -21.352 271 1HD LYS 40 1HD LYS 40 8.102 -10.817 -22.379 272 2HD LYS 40 2HD LYS 40 7.302 -9.931 -21.113 273 1HE LYS 40 1HE LYS 40 8.536 -10.926 -19.557 274 2HE LYS 40 2HE LYS 40 7.741 -12.460 -19.881 275 1HZ LYS 40 1HZ LYS 40 10.350 -11.477 -20.822 276 2HZ LYS 40 2HZ LYS 40 9.547 -12.543 -21.796 277 3HZ LYS 40 3HZ LYS 40 9.937 -12.970 -20.249 278 H GLU 41 H GLU 41 4.362 -8.005 -20.128 279 HA GLU 41 HA GLU 41 7.165 -7.104 -19.756 280 1HB GLU 41 1HB GLU 41 6.494 -4.958 -20.288 281 2HB GLU 41 2HB GLU 41 4.918 -5.114 -19.545 282 1HG GLU 41 1HG GLU 41 5.648 -6.555 -22.169 283 2HG GLU 41 2HG GLU 41 4.059 -6.427 -21.444 284 H LEU 42 H LEU 42 4.271 -7.310 -17.755 285 HA LEU 42 HA LEU 42 5.048 -5.608 -15.522 286 1HB LEU 42 1HB LEU 42 2.832 -7.319 -16.143 287 2HB LEU 42 2HB LEU 42 3.460 -7.927 -14.627 288 HG LEU 42 HG LEU 42 3.310 -5.515 -13.689 289 1HD1 LEU 42 1HD1 LEU 42 1.764 -3.928 -14.867 290 2HD1 LEU 42 2HD1 LEU 42 3.210 -4.256 -15.834 291 3HD1 LEU 42 3HD1 LEU 42 1.665 -5.035 -16.260 292 1HD2 LEU 42 1HD2 LEU 42 0.656 -6.859 -14.543 293 2HD2 LEU 42 2HD2 LEU 42 1.605 -7.251 -13.087 294 3HD2 LEU 42 3HD2 LEU 42 0.850 -5.654 -13.243 295 H GLY 43 H GLY 43 5.470 -9.101 -16.096 296 1HA GLY 43 1HA GLY 43 6.939 -9.561 -13.504 297 2HA GLY 43 2HA GLY 43 6.547 -10.789 -14.704 298 H THR 44 H THR 44 8.003 -8.005 -16.075 299 HA THR 44 HA THR 44 10.592 -9.446 -16.605 300 HB THR 44 HB THR 44 9.618 -6.715 -17.585 301 HG1 THR 44 HG1 THR 44 10.049 -9.115 -19.002 302 1HG2 THR 44 1HG2 THR 44 11.500 -6.789 -19.230 303 2HG2 THR 44 2HG2 THR 44 12.108 -6.669 -17.565 304 3HG2 THR 44 3HG2 THR 44 12.167 -8.230 -18.424 305 H VAL 45 H VAL 45 9.423 -6.543 -14.936 306 HA VAL 45 HA VAL 45 12.102 -5.596 -14.052 307 HB VAL 45 HB VAL 45 9.314 -4.594 -13.836 308 1HG1 VAL 45 1HG1 VAL 45 9.717 -3.073 -11.898 309 2HG1 VAL 45 2HG1 VAL 45 9.768 -4.760 -11.374 310 3HG1 VAL 45 3HG1 VAL 45 11.286 -3.856 -11.573 311 1HG2 VAL 45 1HG2 VAL 45 12.022 -3.114 -14.021 312 2HG2 VAL 45 2HG2 VAL 45 10.965 -3.527 -15.392 313 3HG2 VAL 45 3HG2 VAL 45 10.409 -2.370 -14.174 314 H MET 46 H MET 46 9.463 -7.533 -12.733 315 HA MET 46 HA MET 46 10.372 -7.584 -9.916 316 1HB MET 46 1HB MET 46 8.533 -9.660 -11.235 317 2HB MET 46 2HB MET 46 8.702 -9.313 -9.524 318 1HG MET 46 1HG MET 46 7.961 -6.786 -10.578 319 2HG MET 46 2HG MET 46 7.028 -7.932 -11.555 320 1HE MET 46 1HE MET 46 6.074 -10.341 -10.057 321 2HE MET 46 2HE MET 46 4.691 -9.761 -9.084 322 3HE MET 46 3HE MET 46 4.899 -9.188 -10.764 323 NH1 ARG 47 NH1 ARG 47 7.702 -12.949 -10.773 324 NH2 ARG 47 NH2 ARG 47 6.750 -14.375 -12.265 325 H ARG 47 H ARG 47 10.870 -9.596 -12.773 326 HA ARG 47 HA ARG 47 12.091 -11.947 -11.484 327 1HB ARG 47 1HB ARG 47 13.082 -12.279 -13.920 328 2HB ARG 47 2HB ARG 47 12.066 -10.910 -14.349 329 1HG ARG 47 1HG ARG 47 11.264 -13.721 -13.722 330 2HG ARG 47 2HG ARG 47 10.516 -12.537 -14.794 331 1HD ARG 47 1HD ARG 47 10.244 -12.461 -11.709 332 2HD ARG 47 2HD ARG 47 9.472 -11.361 -12.840 333 HE ARG 47 HE ARG 47 8.542 -13.846 -13.769 334 1HH1 ARG 47 1HH1 ARG 47 8.468 -12.298 -10.566 335 2HH1 ARG 47 2HH1 ARG 47 6.923 -13.198 -10.154 336 1HH2 ARG 47 1HH2 ARG 47 6.787 -14.813 -13.192 337 2HH2 ARG 47 2HH2 ARG 47 6.038 -14.525 -11.542 338 H MET 48 H MET 48 13.310 -8.875 -12.686 339 HA MET 48 HA MET 48 16.125 -9.251 -12.931 340 1HB MET 48 1HB MET 48 16.071 -6.771 -11.643 341 2HB MET 48 2HB MET 48 14.428 -6.891 -12.245 342 1HG MET 48 1HG MET 48 16.550 -7.599 -14.277 343 2HG MET 48 2HG MET 48 15.051 -6.676 -14.474 344 1HE MET 48 1HE MET 48 14.811 -4.204 -12.862 345 2HE MET 48 2HE MET 48 15.915 -3.036 -13.646 346 3HE MET 48 3HE MET 48 14.923 -4.135 -14.648 347 H LEU 49 H LEU 49 14.159 -9.255 -10.032 348 HA LEU 49 HA LEU 49 15.886 -8.627 -7.889 349 1HB LEU 49 1HB LEU 49 13.376 -9.680 -8.000 350 2HB LEU 49 2HB LEU 49 14.307 -9.508 -6.528 351 HG LEU 49 HG LEU 49 15.149 -11.998 -7.066 352 1HD1 LEU 49 1HD1 LEU 49 12.458 -12.002 -8.572 353 2HD1 LEU 49 2HD1 LEU 49 14.043 -12.060 -9.363 354 3HD1 LEU 49 3HD1 LEU 49 13.535 -13.395 -8.300 355 1HD2 LEU 49 1HD2 LEU 49 13.356 -12.918 -5.656 356 2HD2 LEU 49 2HD2 LEU 49 13.683 -11.265 -5.080 357 3HD2 LEU 49 3HD2 LEU 49 12.255 -11.582 -6.077 358 H GLY 50 H GLY 50 15.610 -11.820 -9.480 359 1HA GLY 50 1HA GLY 50 17.966 -13.065 -8.158 360 2HA GLY 50 2HA GLY 50 18.446 -12.343 -9.700 361 H GLN 51 H GLN 51 15.458 -14.014 -8.703 362 HA GLN 51 HA GLN 51 16.059 -16.479 -10.321 363 1HB GLN 51 1HB GLN 51 14.212 -15.774 -8.147 364 2HB GLN 51 2HB GLN 51 13.334 -16.544 -9.454 365 1HG GLN 51 1HG GLN 51 15.911 -17.899 -8.624 366 2HG GLN 51 2HG GLN 51 14.420 -18.608 -9.204 367 1HE2 GLN 51 1HE2 GLN 51 13.931 -19.602 -5.779 368 2HE2 GLN 51 2HE2 GLN 51 14.272 -20.101 -7.511 369 H ASN 52 H ASN 52 13.965 -17.257 -11.592 370 HA ASN 52 HA ASN 52 12.535 -15.102 -13.091 371 1HB ASN 52 1HB ASN 52 14.901 -15.530 -14.174 372 2HB ASN 52 2HB ASN 52 14.213 -17.005 -14.818 373 1HD2 ASN 52 1HD2 ASN 52 13.814 -13.989 -17.197 374 2HD2 ASN 52 2HD2 ASN 52 15.210 -14.570 -16.158 375 HA PRO 53 HA PRO 53 9.976 -19.098 -12.854 376 1HB PRO 53 1HB PRO 53 7.547 -17.974 -12.191 377 2HB PRO 53 2HB PRO 53 8.847 -18.281 -11.029 378 1HG PRO 53 1HG PRO 53 8.076 -15.635 -12.327 379 2HG PRO 53 2HG PRO 53 8.551 -15.937 -10.639 380 1HD PRO 53 1HD PRO 53 10.863 -15.741 -11.189 381 2HD PRO 53 2HD PRO 53 10.281 -14.988 -12.704 382 H THR 54 H THR 54 7.672 -19.426 -13.969 383 HA THR 54 HA THR 54 7.992 -18.714 -16.861 384 HB THR 54 HB THR 54 7.165 -21.013 -15.763 385 HG1 THR 54 HG1 THR 54 5.818 -20.945 -17.947 386 1HG2 THR 54 1HG2 THR 54 4.741 -21.405 -16.060 387 2HG2 THR 54 2HG2 THR 54 5.000 -20.161 -14.815 388 3HG2 THR 54 3HG2 THR 54 4.467 -19.690 -16.449 389 H LYS 55 H LYS 55 5.644 -18.370 -17.935 390 HA LYS 55 HA LYS 55 4.919 -15.573 -17.073 391 1HB LYS 55 1HB LYS 55 3.911 -17.071 -19.569 392 2HB LYS 55 2HB LYS 55 3.832 -15.347 -19.272 393 1HG LYS 55 1HG LYS 55 6.028 -14.960 -19.854 394 2HG LYS 55 2HG LYS 55 6.618 -16.499 -19.253 395 1HD LYS 55 1HD LYS 55 4.794 -16.788 -21.636 396 2HD LYS 55 2HD LYS 55 6.198 -15.781 -21.953 397 1HE LYS 55 1HE LYS 55 7.557 -17.794 -20.799 398 2HE LYS 55 2HE LYS 55 6.137 -18.746 -21.225 399 1HZ LYS 55 1HZ LYS 55 7.566 -18.907 -23.055 400 2HZ LYS 55 2HZ LYS 55 7.993 -17.311 -23.042 401 3HZ LYS 55 3HZ LYS 55 6.493 -17.760 -23.568 402 H GLU 56 H GLU 56 3.548 -18.802 -17.288 403 HA GLU 56 HA GLU 56 0.745 -18.420 -17.224 404 1HB GLU 56 1HB GLU 56 2.382 -20.558 -15.768 405 2HB GLU 56 2HB GLU 56 1.743 -20.642 -17.399 406 1HG GLU 56 1HG GLU 56 -0.616 -20.645 -16.479 407 2HG GLU 56 2HG GLU 56 0.011 -20.503 -14.845 408 H GLU 57 H GLU 57 2.890 -18.656 -14.367 409 HA GLU 57 HA GLU 57 0.927 -18.206 -12.295 410 1HB GLU 57 1HB GLU 57 3.932 -17.852 -12.348 411 2HB GLU 57 2HB GLU 57 2.959 -19.062 -11.540 412 1HG GLU 57 1HG GLU 57 4.137 -16.807 -10.333 413 2HG GLU 57 2HG GLU 57 2.470 -16.272 -10.505 414 H LEU 58 H LEU 58 2.820 -15.930 -14.234 415 HA LEU 58 HA LEU 58 2.248 -13.492 -12.743 416 1HB LEU 58 1HB LEU 58 3.152 -13.972 -15.632 417 2HB LEU 58 2HB LEU 58 2.906 -12.360 -14.993 418 HG LEU 58 HG LEU 58 4.857 -14.453 -13.832 419 1HD1 LEU 58 1HD1 LEU 58 6.684 -12.958 -14.720 420 2HD1 LEU 58 2HD1 LEU 58 5.699 -13.616 -16.034 421 3HD1 LEU 58 3HD1 LEU 58 5.468 -11.928 -15.516 422 1HD2 LEU 58 1HD2 LEU 58 4.480 -11.491 -13.047 423 2HD2 LEU 58 2HD2 LEU 58 4.005 -12.902 -12.069 424 3HD2 LEU 58 3HD2 LEU 58 5.719 -12.598 -12.404 425 H ASP 59 H ASP 59 0.592 -15.200 -15.342 426 HA ASP 59 HA ASP 59 -1.294 -13.162 -16.207 427 1HB ASP 59 1HB ASP 59 -0.893 -15.197 -17.553 428 2HB ASP 59 2HB ASP 59 -1.599 -16.213 -16.317 429 H ALA 60 H ALA 60 -1.311 -15.436 -13.522 430 HA ALA 60 HA ALA 60 -4.065 -14.891 -12.552 431 1HB ALA 60 1HB ALA 60 -3.343 -16.089 -10.492 432 2HB ALA 60 2HB ALA 60 -2.902 -16.990 -11.955 433 3HB ALA 60 3HB ALA 60 -1.653 -16.096 -11.050 434 H ILE 61 H ILE 61 -0.811 -13.677 -11.809 435 HA ILE 61 HA ILE 61 -1.291 -11.994 -9.536 436 HB ILE 61 HB ILE 61 0.823 -12.182 -11.573 437 1HG1 ILE 61 1HG1 ILE 61 0.558 -12.387 -8.716 438 2HG1 ILE 61 2HG1 ILE 61 1.969 -12.723 -9.697 439 1HG2 ILE 61 1HG2 ILE 61 1.819 -9.895 -11.283 440 2HG2 ILE 61 2HG2 ILE 61 0.254 -9.792 -12.088 441 3HG2 ILE 61 3HG2 ILE 61 0.387 -9.367 -10.365 442 1HD1 ILE 61 1HD1 ILE 61 1.368 -9.991 -8.415 443 2HD1 ILE 61 2HD1 ILE 61 2.617 -11.164 -7.943 444 3HD1 ILE 61 3HD1 ILE 61 2.740 -10.325 -9.508 445 H ILE 62 H ILE 62 -1.903 -11.470 -12.977 446 HA ILE 62 HA ILE 62 -2.844 -8.638 -12.641 447 HB ILE 62 HB ILE 62 -2.665 -10.477 -15.069 448 1HG1 ILE 62 1HG1 ILE 62 -0.990 -8.234 -13.939 449 2HG1 ILE 62 2HG1 ILE 62 -0.506 -9.653 -14.844 450 1HG2 ILE 62 1HG2 ILE 62 -3.469 -8.591 -16.519 451 2HG2 ILE 62 2HG2 ILE 62 -4.736 -9.082 -15.396 452 3HG2 ILE 62 3HG2 ILE 62 -3.806 -7.600 -15.077 453 1HD1 ILE 62 1HD1 ILE 62 -1.675 -7.107 -16.117 454 2HD1 ILE 62 2HD1 ILE 62 0.001 -7.690 -16.188 455 3HD1 ILE 62 3HD1 ILE 62 -1.286 -8.605 -17.007 456 H GLU 63 H GLU 63 -4.167 -11.886 -13.074 457 HA GLU 63 HA GLU 63 -6.937 -11.455 -13.519 458 1HB GLU 63 1HB GLU 63 -5.897 -13.557 -11.551 459 2HB GLU 63 2HB GLU 63 -5.723 -13.702 -13.290 460 1HG GLU 63 1HG GLU 63 -8.270 -13.620 -13.520 461 2HG GLU 63 2HG GLU 63 -7.655 -15.014 -12.649 462 H GLU 64 H GLU 64 -5.078 -11.090 -10.536 463 HA GLU 64 HA GLU 64 -7.491 -10.524 -8.824 464 1HB GLU 64 1HB GLU 64 -4.965 -9.945 -7.474 465 2HB GLU 64 2HB GLU 64 -4.826 -11.471 -8.326 466 1HG GLU 64 1HG GLU 64 -7.392 -11.225 -6.787 467 2HG GLU 64 2HG GLU 64 -6.265 -12.567 -6.881 468 H VAL 65 H VAL 65 -4.638 -8.827 -10.111 469 HA VAL 65 HA VAL 65 -5.750 -6.135 -9.177 470 HB VAL 65 HB VAL 65 -3.459 -6.803 -8.357 471 1HG1 VAL 65 1HG1 VAL 65 -3.416 -4.193 -10.003 472 2HG1 VAL 65 2HG1 VAL 65 -4.302 -4.380 -8.478 473 3HG1 VAL 65 3HG1 VAL 65 -2.530 -4.543 -8.499 474 1HG2 VAL 65 1HG2 VAL 65 -1.468 -6.695 -9.773 475 2HG2 VAL 65 2HG2 VAL 65 -2.593 -7.819 -10.573 476 3HG2 VAL 65 3HG2 VAL 65 -2.409 -6.172 -11.191 477 H ASP 66 H ASP 66 -7.104 -7.149 -11.222 478 HA ASP 66 HA ASP 66 -6.970 -5.142 -13.328 479 1HB ASP 66 1HB ASP 66 -4.918 -7.019 -13.734 480 2HB ASP 66 2HB ASP 66 -6.190 -7.627 -14.768 481 H GLU 67 H GLU 67 -8.941 -6.000 -11.800 482 HA GLU 67 HA GLU 67 -10.633 -8.120 -13.111 483 1HB GLU 67 1HB GLU 67 -10.349 -7.571 -10.527 484 2HB GLU 67 2HB GLU 67 -11.839 -8.226 -11.180 485 1HG GLU 67 1HG GLU 67 -12.993 -6.098 -11.005 486 2HG GLU 67 2HG GLU 67 -11.499 -5.188 -10.868 487 H ASP 68 H ASP 68 -9.932 -5.594 -14.549 488 HA ASP 68 HA ASP 68 -12.562 -4.078 -14.738 489 1HB ASP 68 1HB ASP 68 -10.715 -2.949 -16.607 490 2HB ASP 68 2HB ASP 68 -11.335 -2.258 -15.126 491 H GLY 69 H GLY 69 -10.263 -5.975 -16.688 492 1HA GLY 69 1HA GLY 69 -12.381 -6.316 -18.892 493 2HA GLY 69 2HA GLY 69 -11.514 -7.724 -18.264 494 H SER 70 H SER 70 -10.187 -4.486 -18.805 495 HA SER 70 HA SER 70 -9.029 -4.646 -21.402 496 1HB SER 70 1HB SER 70 -9.054 -2.630 -19.831 497 2HB SER 70 2HB SER 70 -7.599 -2.839 -20.810 498 HG SER 70 HG SER 70 -6.498 -3.515 -19.084 499 H GLY 71 H GLY 71 -7.465 -5.551 -18.302 500 1HA GLY 71 1HA GLY 71 -5.880 -7.766 -19.690 501 2HA GLY 71 2HA GLY 71 -6.155 -7.645 -17.947 502 H THR 72 H THR 72 -5.207 -4.912 -19.937 503 HA THR 72 HA THR 72 -2.292 -5.108 -19.200 504 HB THR 72 HB THR 72 -2.196 -2.862 -20.574 505 HG1 THR 72 HG1 THR 72 -4.582 -2.858 -20.555 506 1HG2 THR 72 1HG2 THR 72 -1.996 -4.035 -22.729 507 2HG2 THR 72 2HG2 THR 72 -1.231 -5.022 -21.465 508 3HG2 THR 72 3HG2 THR 72 -2.834 -5.472 -22.103 509 H ILE 73 H ILE 73 -1.424 -2.639 -18.829 510 HA ILE 73 HA ILE 73 -3.035 -1.255 -16.647 511 HB ILE 73 HB ILE 73 -0.237 -2.406 -16.193 512 1HG1 ILE 73 1HG1 ILE 73 -2.536 -3.761 -15.754 513 2HG1 ILE 73 2HG1 ILE 73 -1.154 -3.907 -14.690 514 1HG2 ILE 73 1HG2 ILE 73 -0.151 -1.205 -14.012 515 2HG2 ILE 73 2HG2 ILE 73 -0.324 -0.032 -15.324 516 3HG2 ILE 73 3HG2 ILE 73 -1.730 -0.444 -14.313 517 1HD1 ILE 73 1HD1 ILE 73 -3.602 -2.142 -14.102 518 2HD1 ILE 73 2HD1 ILE 73 -3.155 -3.674 -13.321 519 3HD1 ILE 73 3HD1 ILE 73 -2.140 -2.232 -13.081 520 H ASP 74 H ASP 74 -3.289 0.246 -18.353 521 HA ASP 74 HA ASP 74 -1.096 1.568 -19.813 522 1HB ASP 74 1HB ASP 74 -4.030 2.228 -19.381 523 2HB ASP 74 2HB ASP 74 -3.208 1.689 -20.839 524 H PHE 75 H PHE 75 -1.187 4.152 -19.542 525 HA PHE 75 HA PHE 75 0.392 4.697 -17.113 526 1HB PHE 75 1HB PHE 75 0.804 5.826 -19.329 527 2HB PHE 75 2HB PHE 75 -0.702 6.692 -19.187 528 HD1 PHE 75 HD1 PHE 75 -0.933 8.038 -16.755 529 HD2 PHE 75 HD2 PHE 75 2.761 7.012 -18.711 530 HE1 PHE 75 HE1 PHE 75 0.230 9.820 -15.518 531 HE2 PHE 75 HE2 PHE 75 3.907 8.795 -17.457 532 HZ PHE 75 HZ PHE 75 2.650 10.191 -15.854 533 H GLU 76 H GLU 76 -2.814 5.768 -18.262 534 HA GLU 76 HA GLU 76 -3.536 7.435 -15.974 535 1HB GLU 76 1HB GLU 76 -5.492 7.868 -17.007 536 2HB GLU 76 2HB GLU 76 -4.612 7.239 -18.383 537 1HG GLU 76 1HG GLU 76 -5.752 4.912 -17.801 538 2HG GLU 76 2HG GLU 76 -6.810 5.851 -16.769 539 H GLU 77 H GLU 77 -3.881 4.005 -16.671 540 HA GLU 77 HA GLU 77 -5.641 3.336 -14.361 541 1HB GLU 77 1HB GLU 77 -5.868 1.861 -16.177 542 2HB GLU 77 2HB GLU 77 -4.145 1.676 -16.408 543 1HG GLU 77 1HG GLU 77 -5.483 0.611 -13.856 544 2HG GLU 77 2HG GLU 77 -3.920 0.154 -14.524 545 H PHE 78 H PHE 78 -2.193 3.462 -14.994 546 HA PHE 78 HA PHE 78 -1.213 1.995 -12.667 547 1HB PHE 78 1HB PHE 78 0.180 2.622 -14.699 548 2HB PHE 78 2HB PHE 78 0.202 4.287 -14.177 549 HD1 PHE 78 HD1 PHE 78 2.788 3.868 -14.310 550 HD2 PHE 78 HD2 PHE 78 0.312 1.883 -11.406 551 HE1 PHE 78 HE1 PHE 78 4.778 3.337 -12.960 552 HE2 PHE 78 HE2 PHE 78 2.313 1.348 -10.077 553 HZ PHE 78 HZ PHE 78 4.545 2.079 -10.845 554 H LEU 79 H LEU 79 -2.023 5.400 -13.230 555 HA LEU 79 HA LEU 79 -1.115 6.468 -10.639 556 1HB LEU 79 1HB LEU 79 -2.749 8.419 -11.241 557 2HB LEU 79 2HB LEU 79 -3.067 7.567 -12.736 558 HG LEU 79 HG LEU 79 -0.362 7.631 -12.974 559 1HD1 LEU 79 1HD1 LEU 79 -0.898 10.163 -11.296 560 2HD1 LEU 79 2HD1 LEU 79 -0.056 8.723 -10.691 561 3HD1 LEU 79 3HD1 LEU 79 0.652 9.668 -12.025 562 1HD2 LEU 79 1HD2 LEU 79 -0.575 9.608 -14.419 563 2HD2 LEU 79 2HD2 LEU 79 -2.098 8.694 -14.556 564 3HD2 LEU 79 3HD2 LEU 79 -2.038 10.156 -13.561 565 H VAL 80 H VAL 80 -4.120 5.067 -11.827 566 HA VAL 80 HA VAL 80 -5.855 5.723 -9.552 567 HB VAL 80 HB VAL 80 -6.064 3.673 -11.781 568 1HG1 VAL 80 1HG1 VAL 80 -8.303 2.940 -10.937 569 2HG1 VAL 80 2HG1 VAL 80 -7.024 2.473 -9.808 570 3HG1 VAL 80 3HG1 VAL 80 -8.063 3.868 -9.434 571 1HG2 VAL 80 1HG2 VAL 80 -7.928 6.006 -10.987 572 2HG2 VAL 80 2HG2 VAL 80 -6.741 6.047 -12.312 573 3HG2 VAL 80 3HG2 VAL 80 -8.117 4.937 -12.399 574 H MET 81 H MET 81 -3.739 2.984 -10.348 575 HA MET 81 HA MET 81 -4.299 1.142 -8.188 576 1HB MET 81 1HB MET 81 -2.580 0.995 -10.270 577 2HB MET 81 2HB MET 81 -1.418 1.512 -9.062 578 1HG MET 81 1HG MET 81 -3.225 -0.882 -8.435 579 2HG MET 81 2HG MET 81 -1.633 -0.483 -7.767 580 1HE MET 81 1HE MET 81 -3.660 -1.688 -10.928 581 2HE MET 81 2HE MET 81 -2.546 -2.971 -11.488 582 3HE MET 81 3HE MET 81 -3.250 -3.058 -9.848 583 H MET 82 H MET 82 -1.599 3.485 -8.315 584 HA MET 82 HA MET 82 -0.849 3.198 -5.494 585 1HB MET 82 1HB MET 82 -0.059 5.122 -7.706 586 2HB MET 82 2HB MET 82 0.324 5.571 -6.055 587 1HG MET 82 1HG MET 82 2.048 4.154 -7.554 588 2HG MET 82 2HG MET 82 1.093 2.771 -7.006 589 1HE MET 82 1HE MET 82 2.006 1.428 -4.834 590 2HE MET 82 2HE MET 82 0.485 2.301 -4.483 591 3HE MET 82 3HE MET 82 1.823 2.334 -3.298 592 H VAL 83 H VAL 83 -3.189 5.194 -7.154 593 HA VAL 83 HA VAL 83 -3.456 7.431 -5.325 594 HB VAL 83 HB VAL 83 -4.966 6.430 -7.629 595 1HG1 VAL 83 1HG1 VAL 83 -4.844 9.293 -6.494 596 2HG1 VAL 83 2HG1 VAL 83 -3.554 8.585 -7.477 597 3HG1 VAL 83 3HG1 VAL 83 -5.178 8.796 -8.173 598 1HG2 VAL 83 1HG2 VAL 83 -7.187 7.346 -7.190 599 2HG2 VAL 83 2HG2 VAL 83 -6.848 6.203 -5.870 600 3HG2 VAL 83 3HG2 VAL 83 -6.708 7.943 -5.580 601 NH1 ARG 84 NH1 ARG 84 -9.894 0.199 -7.777 602 NH2 ARG 84 NH2 ARG 84 -10.524 -1.239 -6.136 603 H ARG 84 H ARG 84 -5.217 4.327 -5.509 604 HA ARG 84 HA ARG 84 -7.145 4.691 -3.363 605 1HB ARG 84 1HB ARG 84 -6.006 2.321 -4.829 606 2HB ARG 84 2HB ARG 84 -6.607 1.978 -3.214 607 1HG ARG 84 1HG ARG 84 -8.824 2.353 -3.746 608 2HG ARG 84 2HG ARG 84 -8.473 3.657 -4.882 609 1HD ARG 84 1HD ARG 84 -8.482 2.251 -6.688 610 2HD ARG 84 2HD ARG 84 -7.390 1.096 -5.921 611 HE ARG 84 HE ARG 84 -9.963 0.713 -4.657 612 1HH1 ARG 84 1HH1 ARG 84 -10.581 -1.435 -5.130 613 2HH1 ARG 84 2HH1 ARG 84 -10.871 -1.831 -6.898 614 1HH2 ARG 84 1HH2 ARG 84 -9.390 1.056 -8.032 615 2HH2 ARG 84 2HH2 ARG 84 -10.369 -0.448 -8.416 616 H GLN 85 H GLN 85 -3.884 3.219 -3.306 617 HA GLN 85 HA GLN 85 -3.847 2.518 -0.451 618 1HB GLN 85 1HB GLN 85 -1.282 2.404 -0.822 619 2HB GLN 85 2HB GLN 85 -1.587 2.872 -2.485 620 1HG GLN 85 1HG GLN 85 -3.077 0.461 -1.346 621 2HG GLN 85 2HG GLN 85 -2.717 0.829 -3.019 622 1HE2 GLN 85 1HE2 GLN 85 0.347 -0.803 -0.699 623 2HE2 GLN 85 2HE2 GLN 85 -0.905 0.301 0.062 624 H MET 86 H MET 86 -3.045 5.410 -2.275 625 HA MET 86 HA MET 86 -1.439 6.835 -0.280 626 1HB MET 86 1HB MET 86 -2.781 8.822 -1.854 627 2HB MET 86 2HB MET 86 -2.571 7.445 -2.920 628 1HG MET 86 1HG MET 86 -0.080 8.069 -1.373 629 2HG MET 86 2HG MET 86 -0.295 7.736 -3.100 630 1HE MET 86 1HE MET 86 -2.556 9.807 -4.053 631 2HE MET 86 2HE MET 86 -1.563 11.215 -4.530 632 3HE MET 86 3HE MET 86 -1.031 9.564 -4.961 633 H LYS 87 H LYS 87 -4.882 6.389 -0.732 634 HA LYS 87 HA LYS 87 -5.791 8.695 0.960 635 1HB LYS 87 1HB LYS 87 -7.118 7.437 -1.000 636 2HB LYS 87 2HB LYS 87 -7.943 8.179 0.362 637 1HG LYS 87 1HG LYS 87 -8.504 6.138 1.384 638 2HG LYS 87 2HG LYS 87 -7.188 5.243 0.643 639 1HD LYS 87 1HD LYS 87 -8.485 5.646 -1.640 640 2HD LYS 87 2HD LYS 87 -9.021 4.407 -0.512 641 1HE LYS 87 1HE LYS 87 -11.041 5.471 -0.055 642 2HE LYS 87 2HE LYS 87 -10.316 7.084 -0.020 643 1HZ LYS 87 1HZ LYS 87 -10.096 6.536 -2.616 644 2HZ LYS 87 2HZ LYS 87 -11.437 7.245 -1.962 645 3HZ LYS 87 3HZ LYS 87 -11.433 5.624 -2.281 646 H GLU 88 H GLU 88 -5.089 5.268 1.329 647 HA GLU 88 HA GLU 88 -6.330 4.612 3.825 648 1HB GLU 88 1HB GLU 88 -5.312 2.854 2.579 649 2HB GLU 88 2HB GLU 88 -3.734 3.619 2.566 650 1HG GLU 88 1HG GLU 88 -3.580 3.235 5.102 651 2HG GLU 88 2HG GLU 88 -5.122 2.398 5.038 652 H ASP 89 H ASP 89 -6.352 6.361 5.176 653 HA ASP 89 HA ASP 89 -4.290 6.450 7.248 654 1HB ASP 89 1HB ASP 89 -4.215 8.859 5.346 655 2HB ASP 89 2HB ASP 89 -2.929 7.714 5.648 656 H ALA 90 H ALA 90 -5.915 6.240 8.644 657 HA ALA 90 HA ALA 90 -7.832 8.580 9.085 658 1HB ALA 90 1HB ALA 90 -9.773 7.019 9.379 659 2HB ALA 90 2HB ALA 90 -9.128 6.915 7.729 660 3HB ALA 90 3HB ALA 90 -8.765 5.628 8.906 Start of MODEL 31 Raw file had 660 H/Q atoms Start of MODEL 31 1 1H ALA 1 1H ALA 1 -16.619 2.025 -20.141 2 2H ALA 1 2H ALA 1 -15.636 0.822 -19.498 3 3H ALA 1 3H ALA 1 -16.955 1.388 -18.622 4 HA ALA 1 HA ALA 1 -15.492 2.617 -17.556 5 1HB ALA 1 1HB ALA 1 -13.543 2.829 -19.899 6 2HB ALA 1 2HB ALA 1 -13.679 1.292 -19.022 7 3HB ALA 1 3HB ALA 1 -13.194 2.772 -18.155 8 H SER 2 H SER 2 -17.609 3.757 -18.458 9 HA SER 2 HA SER 2 -17.136 6.056 -20.354 10 1HB SER 2 1HB SER 2 -19.269 5.153 -20.680 11 2HB SER 2 2HB SER 2 -19.578 4.909 -18.959 12 HG SER 2 HG SER 2 -20.553 6.766 -20.191 13 H MET 3 H MET 3 -17.642 5.447 -16.900 14 HA MET 3 HA MET 3 -16.555 8.188 -16.169 15 1HB MET 3 1HB MET 3 -19.120 8.316 -16.431 16 2HB MET 3 2HB MET 3 -19.252 7.276 -15.025 17 1HG MET 3 1HG MET 3 -19.485 9.466 -14.127 18 2HG MET 3 2HG MET 3 -17.802 9.068 -13.758 19 1HE MET 3 1HE MET 3 -16.991 11.083 -13.312 20 2HE MET 3 2HE MET 3 -17.040 12.584 -14.283 21 3HE MET 3 3HE MET 3 -15.788 11.352 -14.613 22 H THR 4 H THR 4 -14.842 7.408 -15.109 23 HA THR 4 HA THR 4 -15.184 5.188 -13.062 24 HB THR 4 HB THR 4 -12.439 5.481 -13.349 25 HG1 THR 4 HG1 THR 4 -13.042 5.219 -15.933 26 1HG2 THR 4 1HG2 THR 4 -13.141 3.227 -13.327 27 2HG2 THR 4 2HG2 THR 4 -12.686 3.439 -15.033 28 3HG2 THR 4 3HG2 THR 4 -14.403 3.468 -14.554 29 H ASP 5 H ASP 5 -15.631 6.019 -11.150 30 HA ASP 5 HA ASP 5 -14.659 8.707 -10.250 31 1HB ASP 5 1HB ASP 5 -16.743 6.777 -9.289 32 2HB ASP 5 2HB ASP 5 -15.930 7.658 -8.016 33 H GLN 6 H GLN 6 -14.036 5.312 -9.588 34 HA GLN 6 HA GLN 6 -12.461 5.299 -7.212 35 1HB GLN 6 1HB GLN 6 -12.179 3.145 -7.752 36 2HB GLN 6 2HB GLN 6 -12.966 3.460 -9.287 37 1HG GLN 6 1HG GLN 6 -10.801 3.856 -10.414 38 2HG GLN 6 2HG GLN 6 -9.931 3.792 -8.898 39 1HE2 GLN 6 1HE2 GLN 6 -9.535 0.421 -10.508 40 2HE2 GLN 6 2HE2 GLN 6 -9.191 2.160 -10.983 41 H GLN 7 H GLN 7 -11.400 5.992 -10.548 42 HA GLN 7 HA GLN 7 -8.560 6.603 -9.776 43 1HB GLN 7 1HB GLN 7 -8.317 7.295 -12.222 44 2HB GLN 7 2HB GLN 7 -8.778 5.624 -11.933 45 1HG GLN 7 1HG GLN 7 -11.204 6.206 -12.428 46 2HG GLN 7 2HG GLN 7 -10.714 7.843 -12.835 47 1HE2 GLN 7 1HE2 GLN 7 -9.877 4.711 -15.443 48 2HE2 GLN 7 2HE2 GLN 7 -10.374 4.406 -13.704 49 H ALA 8 H ALA 8 -11.548 8.343 -10.442 50 HA ALA 8 HA ALA 8 -10.617 11.042 -10.847 51 1HB ALA 8 1HB ALA 8 -12.874 11.769 -10.089 52 2HB ALA 8 2HB ALA 8 -12.978 10.379 -11.186 53 3HB ALA 8 3HB ALA 8 -13.212 10.149 -9.434 54 H GLU 9 H GLU 9 -11.035 9.155 -7.894 55 HA GLU 9 HA GLU 9 -10.790 11.354 -5.938 56 1HB GLU 9 1HB GLU 9 -9.957 8.612 -5.009 57 2HB GLU 9 2HB GLU 9 -11.004 9.806 -4.256 58 1HG GLU 9 1HG GLU 9 -12.727 9.175 -6.234 59 2HG GLU 9 2HG GLU 9 -11.766 7.704 -6.338 60 H ALA 10 H ALA 10 -8.502 8.814 -7.002 61 HA ALA 10 HA ALA 10 -6.219 9.711 -5.395 62 1HB ALA 10 1HB ALA 10 -4.881 8.135 -6.781 63 2HB ALA 10 2HB ALA 10 -6.399 7.391 -6.246 64 3HB ALA 10 3HB ALA 10 -6.228 7.950 -7.930 65 NH1 ARG 11 NH1 ARG 11 -6.020 15.894 -14.251 66 NH2 ARG 11 NH2 ARG 11 -5.877 14.715 -16.187 67 H ARG 11 H ARG 11 -7.469 10.621 -8.534 68 HA ARG 11 HA ARG 11 -5.011 11.903 -9.640 69 1HB ARG 11 1HB ARG 11 -7.346 11.009 -10.805 70 2HB ARG 11 2HB ARG 11 -7.724 12.720 -10.669 71 1HG ARG 11 1HG ARG 11 -5.053 12.664 -11.708 72 2HG ARG 11 2HG ARG 11 -5.914 11.391 -12.576 73 1HD ARG 11 1HD ARG 11 -7.783 13.058 -13.106 74 2HD ARG 11 2HD ARG 11 -6.834 14.338 -12.349 75 HE ARG 11 HE ARG 11 -5.514 12.790 -14.611 76 1HH1 ARG 11 1HH1 ARG 11 -5.862 13.796 -16.644 77 2HH1 ARG 11 2HH1 ARG 11 -5.823 15.631 -16.647 78 1HH2 ARG 11 1HH2 ARG 11 -6.159 15.877 -13.235 79 2HH2 ARG 11 2HH2 ARG 11 -5.903 16.725 -14.842 80 H ALA 12 H ALA 12 -7.992 12.994 -8.042 81 HA ALA 12 HA ALA 12 -7.524 15.902 -8.312 82 1HB ALA 12 1HB ALA 12 -9.398 16.163 -6.700 83 2HB ALA 12 2HB ALA 12 -9.804 14.999 -7.977 84 3HB ALA 12 3HB ALA 12 -9.380 14.418 -6.348 85 H PHE 13 H PHE 13 -6.673 13.439 -5.942 86 HA PHE 13 HA PHE 13 -5.743 15.262 -3.811 87 1HB PHE 13 1HB PHE 13 -6.561 12.957 -3.368 88 2HB PHE 13 2HB PHE 13 -5.218 12.261 -4.237 89 HD1 PHE 13 HD1 PHE 13 -5.734 11.447 -1.452 90 HD2 PHE 13 HD2 PHE 13 -3.461 14.827 -2.841 91 HE1 PHE 13 HE1 PHE 13 -4.400 11.415 0.616 92 HE2 PHE 13 HE2 PHE 13 -2.138 14.777 -0.768 93 HZ PHE 13 HZ PHE 13 -2.601 13.074 0.961 94 H LEU 14 H LEU 14 -4.162 13.307 -6.338 95 HA LEU 14 HA LEU 14 -1.404 14.419 -5.668 96 1HB LEU 14 1HB LEU 14 -0.455 12.660 -6.980 97 2HB LEU 14 2HB LEU 14 -1.945 12.341 -7.840 98 HG LEU 14 HG LEU 14 -2.825 11.655 -5.348 99 1HD1 LEU 14 1HD1 LEU 14 -2.340 9.281 -5.947 100 2HD1 LEU 14 2HD1 LEU 14 -2.886 10.187 -7.369 101 3HD1 LEU 14 3HD1 LEU 14 -1.158 9.802 -7.174 102 1HD2 LEU 14 1HD2 LEU 14 0.207 11.048 -5.214 103 2HD2 LEU 14 2HD2 LEU 14 -0.689 12.156 -4.146 104 3HD2 LEU 14 3HD2 LEU 14 -1.029 10.420 -4.094 105 H SER 15 H SER 15 -1.021 16.296 -6.552 106 HA SER 15 HA SER 15 -2.339 17.465 -8.893 107 1HB SER 15 1HB SER 15 0.333 18.600 -8.151 108 2HB SER 15 2HB SER 15 -0.825 18.481 -6.823 109 HG SER 15 HG SER 15 -1.327 20.327 -7.740 110 H GLU 16 H GLU 16 -0.664 18.488 -10.599 111 HA GLU 16 HA GLU 16 0.228 16.215 -12.307 112 1HB GLU 16 1HB GLU 16 -0.918 18.382 -13.103 113 2HB GLU 16 2HB GLU 16 0.624 19.192 -12.903 114 1HG GLU 16 1HG GLU 16 0.421 18.597 -15.244 115 2HG GLU 16 2HG GLU 16 1.665 17.558 -14.570 116 H GLU 17 H GLU 17 1.692 18.695 -10.300 117 HA GLU 17 HA GLU 17 4.497 18.364 -11.242 118 1HB GLU 17 1HB GLU 17 3.919 19.495 -8.490 119 2HB GLU 17 2HB GLU 17 5.191 19.912 -9.622 120 1HG GLU 17 1HG GLU 17 2.219 20.565 -10.140 121 2HG GLU 17 2HG GLU 17 3.292 21.644 -9.266 122 H MET 18 H MET 18 2.465 17.002 -8.704 123 HA MET 18 HA MET 18 4.608 15.467 -7.312 124 1HB MET 18 1HB MET 18 1.648 14.763 -7.061 125 2HB MET 18 2HB MET 18 2.939 14.575 -5.888 126 1HG MET 18 1HG MET 18 1.381 17.097 -6.596 127 2HG MET 18 2HG MET 18 3.033 17.274 -5.981 128 1HE MET 18 1HE MET 18 1.572 18.692 -4.007 129 2HE MET 18 2HE MET 18 1.773 17.815 -2.460 130 3HE MET 18 3HE MET 18 3.159 17.977 -3.580 131 H ILE 19 H ILE 19 2.220 14.882 -9.843 132 HA ILE 19 HA ILE 19 2.458 11.989 -10.111 133 HB ILE 19 HB ILE 19 1.515 14.165 -11.998 134 1HG1 ILE 19 1HG1 ILE 19 -0.216 11.774 -11.538 135 2HG1 ILE 19 2HG1 ILE 19 -0.607 13.479 -11.451 136 1HG2 ILE 19 1HG2 ILE 19 0.977 12.490 -13.785 137 2HG2 ILE 19 2HG2 ILE 19 2.720 12.569 -13.530 138 3HG2 ILE 19 3HG2 ILE 19 1.794 11.206 -12.859 139 1HD1 ILE 19 1HD1 ILE 19 0.244 13.680 -9.131 140 2HD1 ILE 19 2HD1 ILE 19 -0.933 12.357 -9.253 141 3HD1 ILE 19 3HD1 ILE 19 0.805 11.985 -9.164 142 H ALA 20 H ALA 20 4.352 14.712 -11.327 143 HA ALA 20 HA ALA 20 6.077 13.428 -13.246 144 1HB ALA 20 1HB ALA 20 7.658 15.313 -12.847 145 2HB ALA 20 2HB ALA 20 5.983 15.885 -12.973 146 3HB ALA 20 3HB ALA 20 6.771 15.785 -11.378 147 H GLU 21 H GLU 21 6.252 13.577 -9.715 148 HA GLU 21 HA GLU 21 9.010 12.651 -9.341 149 1HB GLU 21 1HB GLU 21 8.397 12.237 -6.983 150 2HB GLU 21 2HB GLU 21 6.690 12.386 -7.352 151 1HG GLU 21 1HG GLU 21 6.842 14.771 -7.707 152 2HG GLU 21 2HG GLU 21 8.579 14.728 -7.952 153 H PHE 22 H PHE 22 5.892 11.056 -9.709 154 HA PHE 22 HA PHE 22 6.935 8.291 -9.142 155 1HB PHE 22 1HB PHE 22 4.141 9.072 -10.172 156 2HB PHE 22 2HB PHE 22 4.627 7.528 -9.524 157 HD1 PHE 22 HD1 PHE 22 3.058 10.586 -8.641 158 HD2 PHE 22 HD2 PHE 22 5.720 7.612 -7.028 159 HE1 PHE 22 HE1 PHE 22 2.584 11.382 -6.364 160 HE2 PHE 22 HE2 PHE 22 5.229 8.422 -4.757 161 HZ PHE 22 HZ PHE 22 3.699 10.333 -4.422 162 H LYS 23 H LYS 23 6.450 10.383 -11.875 163 HA LYS 23 HA LYS 23 5.931 8.646 -14.098 164 1HB LYS 23 1HB LYS 23 7.135 11.341 -13.776 165 2HB LYS 23 2HB LYS 23 7.884 10.466 -15.092 166 1HG LYS 23 1HG LYS 23 5.902 11.965 -15.712 167 2HG LYS 23 2HG LYS 23 4.854 10.870 -14.828 168 1HD LYS 23 1HD LYS 23 5.620 8.956 -16.363 169 2HD LYS 23 2HD LYS 23 4.642 10.211 -17.132 170 1HE LYS 23 1HE LYS 23 7.567 10.832 -17.265 171 2HE LYS 23 2HE LYS 23 6.354 10.863 -18.553 172 1HZ LYS 23 1HZ LYS 23 7.744 9.117 -19.133 173 2HZ LYS 23 2HZ LYS 23 6.516 8.299 -18.388 174 3HZ LYS 23 3HZ LYS 23 7.938 8.561 -17.589 175 H ALA 24 H ALA 24 9.088 9.536 -12.675 176 HA ALA 24 HA ALA 24 10.849 8.117 -14.473 177 1HB ALA 24 1HB ALA 24 12.552 8.255 -12.665 178 2HB ALA 24 2HB ALA 24 11.680 9.788 -12.845 179 3HB ALA 24 3HB ALA 24 11.303 8.706 -11.480 180 H ALA 25 H ALA 25 9.599 7.075 -11.281 181 HA ALA 25 HA ALA 25 10.753 4.396 -11.211 182 1HB ALA 25 1HB ALA 25 9.130 3.951 -9.379 183 2HB ALA 25 2HB ALA 25 9.907 5.533 -9.177 184 3HB ALA 25 3HB ALA 25 8.229 5.436 -9.770 185 H PHE 26 H PHE 26 7.925 5.709 -12.784 186 HA PHE 26 HA PHE 26 6.284 3.275 -13.041 187 1HB PHE 26 1HB PHE 26 5.255 5.482 -13.381 188 2HB PHE 26 2HB PHE 26 6.265 5.826 -14.760 189 HD1 PHE 26 HD1 PHE 26 3.040 4.838 -13.842 190 HD2 PHE 26 HD2 PHE 26 6.098 3.726 -16.656 191 HE1 PHE 26 HE1 PHE 26 1.338 3.837 -15.313 192 HE2 PHE 26 HE2 PHE 26 4.380 2.738 -18.118 193 HZ PHE 26 HZ PHE 26 2.002 2.795 -17.453 194 H ASP 27 H ASP 27 8.691 4.856 -15.136 195 HA ASP 27 HA ASP 27 8.549 2.989 -17.396 196 1HB ASP 27 1HB ASP 27 10.933 4.769 -16.629 197 2HB ASP 27 2HB ASP 27 9.539 5.309 -17.536 198 H MET 28 H MET 28 10.346 3.054 -14.376 199 HA MET 28 HA MET 28 12.322 0.957 -14.893 200 1HB MET 28 1HB MET 28 11.084 1.844 -12.226 201 2HB MET 28 2HB MET 28 12.591 2.391 -12.937 202 1HG MET 28 1HG MET 28 13.790 0.503 -12.260 203 2HG MET 28 2HG MET 28 12.412 -0.593 -12.457 204 1HE MET 28 1HE MET 28 13.466 2.668 -10.325 205 2HE MET 28 2HE MET 28 13.504 1.901 -8.710 206 3HE MET 28 3HE MET 28 14.607 1.326 -9.995 207 H PHE 29 H PHE 29 9.052 0.862 -13.478 208 HA PHE 29 HA PHE 29 8.984 -2.033 -12.930 209 1HB PHE 29 1HB PHE 29 6.787 0.092 -13.096 210 2HB PHE 29 2HB PHE 29 6.358 -1.593 -12.966 211 HD1 PHE 29 HD1 PHE 29 8.021 -2.856 -11.008 212 HD2 PHE 29 HD2 PHE 29 6.742 1.255 -11.036 213 HE1 PHE 29 HE1 PHE 29 8.293 -2.741 -8.564 214 HE2 PHE 29 HE2 PHE 29 7.014 1.344 -8.592 215 HZ PHE 29 HZ PHE 29 7.797 -0.644 -7.355 216 H ASP 30 H ASP 30 8.111 0.009 -15.670 217 HA ASP 30 HA ASP 30 6.607 -1.845 -17.306 218 1HB ASP 30 1HB ASP 30 8.475 0.208 -18.583 219 2HB ASP 30 2HB ASP 30 7.073 0.727 -17.675 220 H ALA 31 H ALA 31 10.063 -0.976 -17.702 221 HA ALA 31 HA ALA 31 11.976 -2.241 -18.430 222 1HB ALA 31 1HB ALA 31 12.014 -4.664 -17.835 223 2HB ALA 31 2HB ALA 31 11.406 -3.668 -16.498 224 3HB ALA 31 3HB ALA 31 10.271 -4.634 -17.477 225 H ASP 32 H ASP 32 9.656 -1.602 -20.217 226 HA ASP 32 HA ASP 32 10.299 -3.521 -22.501 227 1HB ASP 32 1HB ASP 32 7.570 -2.991 -21.386 228 2HB ASP 32 2HB ASP 32 8.209 -4.397 -22.206 229 H GLY 33 H GLY 33 8.006 -0.822 -22.406 230 1HA GLY 33 1HA GLY 33 9.912 0.925 -24.077 231 2HA GLY 33 2HA GLY 33 8.229 0.720 -24.505 232 H GLY 34 H GLY 34 6.609 1.515 -22.962 233 1HA GLY 34 1HA GLY 34 7.418 4.188 -21.790 234 2HA GLY 34 2HA GLY 34 6.735 3.051 -20.621 235 H GLY 35 H GLY 35 4.605 2.730 -20.517 236 1HA GLY 35 1HA GLY 35 2.730 4.728 -21.396 237 2HA GLY 35 2HA GLY 35 2.607 3.446 -22.609 238 H ASP 36 H ASP 36 2.939 1.163 -21.210 239 HA ASP 36 HA ASP 36 0.998 1.007 -18.906 240 1HB ASP 36 1HB ASP 36 -0.833 0.824 -20.229 241 2HB ASP 36 2HB ASP 36 -0.312 -0.837 -20.395 242 H ILE 37 H ILE 37 1.433 -0.679 -17.664 243 HA ILE 37 HA ILE 37 3.661 -2.581 -18.413 244 HB ILE 37 HB ILE 37 2.524 -3.131 -15.780 245 1HG1 ILE 37 1HG1 ILE 37 3.062 -0.212 -16.350 246 2HG1 ILE 37 2HG1 ILE 37 1.963 -0.957 -15.205 247 1HG2 ILE 37 1HG2 ILE 37 4.886 -3.080 -15.080 248 2HG2 ILE 37 2HG2 ILE 37 4.736 -3.946 -16.616 249 3HG2 ILE 37 3HG2 ILE 37 5.367 -2.282 -16.597 250 1HD1 ILE 37 1HD1 ILE 37 4.997 -0.673 -14.774 251 2HD1 ILE 37 2HD1 ILE 37 3.697 0.217 -13.954 252 3HD1 ILE 37 3HD1 ILE 37 3.890 -1.527 -13.666 253 H SER 38 H SER 38 3.101 -4.845 -17.080 254 HA SER 38 HA SER 38 0.368 -5.916 -17.800 255 1HB SER 38 1HB SER 38 2.684 -7.344 -19.155 256 2HB SER 38 2HB SER 38 0.960 -7.380 -19.533 257 HG SER 38 HG SER 38 2.399 -6.095 -20.900 258 H THR 39 H THR 39 1.214 -8.626 -17.853 259 HA THR 39 HA THR 39 1.602 -9.146 -14.914 260 HB THR 39 HB THR 39 1.416 -11.657 -15.803 261 HG1 THR 39 HG1 THR 39 -0.326 -10.785 -17.647 262 1HG2 THR 39 1HG2 THR 39 -1.025 -11.618 -15.536 263 2HG2 THR 39 2HG2 THR 39 -0.303 -10.535 -14.324 264 3HG2 THR 39 3HG2 THR 39 -1.086 -9.857 -15.776 265 H LYS 40 H LYS 40 3.145 -10.230 -17.968 266 HA LYS 40 HA LYS 40 5.483 -11.489 -16.678 267 1HB LYS 40 1HB LYS 40 5.746 -12.374 -18.690 268 2HB LYS 40 2HB LYS 40 6.219 -10.844 -19.380 269 1HG LYS 40 1HG LYS 40 3.301 -11.830 -19.108 270 2HG LYS 40 2HG LYS 40 3.812 -10.419 -19.996 271 1HD LYS 40 1HD LYS 40 3.982 -13.343 -20.823 272 2HD LYS 40 2HD LYS 40 3.395 -11.942 -21.671 273 1HE LYS 40 1HE LYS 40 5.355 -11.421 -22.659 274 2HE LYS 40 2HE LYS 40 6.334 -11.730 -21.230 275 1HZ LYS 40 1HZ LYS 40 6.469 -13.257 -23.334 276 2HZ LYS 40 2HZ LYS 40 5.171 -14.034 -22.670 277 3HZ LYS 40 3HZ LYS 40 6.593 -13.937 -21.833 278 H GLU 41 H GLU 41 4.901 -8.391 -18.360 279 HA GLU 41 HA GLU 41 7.506 -7.214 -18.345 280 1HB GLU 41 1HB GLU 41 6.409 -4.968 -18.360 281 2HB GLU 41 2HB GLU 41 4.872 -5.711 -17.975 282 1HG GLU 41 1HG GLU 41 6.439 -6.399 -20.538 283 2HG GLU 41 2HG GLU 41 4.805 -6.885 -20.142 284 H LEU 42 H LEU 42 4.978 -6.976 -15.832 285 HA LEU 42 HA LEU 42 6.531 -5.368 -13.900 286 1HB LEU 42 1HB LEU 42 4.152 -7.232 -13.323 287 2HB LEU 42 2HB LEU 42 3.988 -5.598 -13.928 288 HG LEU 42 HG LEU 42 5.619 -5.813 -11.405 289 1HD1 LEU 42 1HD1 LEU 42 4.267 -3.792 -10.783 290 2HD1 LEU 42 2HD1 LEU 42 5.029 -3.595 -12.369 291 3HD1 LEU 42 3HD1 LEU 42 3.291 -3.972 -12.263 292 1HD2 LEU 42 1HD2 LEU 42 2.581 -6.398 -11.316 293 2HD2 LEU 42 2HD2 LEU 42 3.879 -7.543 -10.893 294 3HD2 LEU 42 3HD2 LEU 42 3.631 -6.090 -9.908 295 H GLY 43 H GLY 43 6.073 -8.808 -14.515 296 1HA GLY 43 1HA GLY 43 6.991 -10.128 -12.184 297 2HA GLY 43 2HA GLY 43 7.331 -10.750 -13.803 298 H THR 44 H THR 44 8.878 -8.322 -14.539 299 HA THR 44 HA THR 44 11.536 -9.386 -13.960 300 HB THR 44 HB THR 44 10.496 -7.049 -15.501 301 HG1 THR 44 HG1 THR 44 11.007 -8.963 -16.461 302 1HG2 THR 44 1HG2 THR 44 12.756 -6.040 -15.861 303 2HG2 THR 44 2HG2 THR 44 12.205 -5.802 -14.189 304 3HG2 THR 44 3HG2 THR 44 13.428 -7.046 -14.553 305 H VAL 45 H VAL 45 10.521 -6.045 -13.247 306 HA VAL 45 HA VAL 45 12.549 -5.406 -11.341 307 HB VAL 45 HB VAL 45 10.015 -4.154 -12.154 308 1HG1 VAL 45 1HG1 VAL 45 9.692 -2.670 -10.174 309 2HG1 VAL 45 2HG1 VAL 45 9.380 -4.354 -9.737 310 3HG1 VAL 45 3HG1 VAL 45 10.910 -3.589 -9.252 311 1HG2 VAL 45 1HG2 VAL 45 12.662 -2.920 -11.141 312 2HG2 VAL 45 2HG2 VAL 45 12.248 -3.240 -12.841 313 3HG2 VAL 45 3HG2 VAL 45 11.328 -2.036 -11.927 314 H MET 46 H MET 46 9.403 -6.968 -10.875 315 HA MET 46 HA MET 46 9.144 -6.901 -7.993 316 1HB MET 46 1HB MET 46 7.891 -9.229 -8.391 317 2HB MET 46 2HB MET 46 8.086 -8.838 -10.090 318 1HG MET 46 1HG MET 46 6.948 -6.574 -8.461 319 2HG MET 46 2HG MET 46 6.474 -7.179 -10.057 320 1HE MET 46 1HE MET 46 4.084 -6.367 -8.385 321 2HE MET 46 2HE MET 46 3.491 -7.484 -7.121 322 3HE MET 46 3HE MET 46 4.967 -6.516 -6.833 323 NH1 ARG 47 NH1 ARG 47 9.196 -15.965 -7.684 324 NH2 ARG 47 NH2 ARG 47 8.024 -15.635 -5.765 325 H ARG 47 H ARG 47 10.205 -9.734 -9.900 326 HA ARG 47 HA ARG 47 11.636 -10.929 -7.525 327 1HB ARG 47 1HB ARG 47 10.493 -11.935 -10.078 328 2HB ARG 47 2HB ARG 47 12.074 -12.624 -9.738 329 1HG ARG 47 1HG ARG 47 10.910 -14.158 -8.507 330 2HG ARG 47 2HG ARG 47 10.980 -12.930 -7.243 331 1HD ARG 47 1HD ARG 47 8.694 -12.017 -8.231 332 2HD ARG 47 2HD ARG 47 8.632 -13.520 -9.137 333 HE ARG 47 HE ARG 47 7.970 -13.300 -6.312 334 1HH1 ARG 47 1HH1 ARG 47 9.618 -15.551 -8.522 335 2HH1 ARG 47 2HH1 ARG 47 9.201 -16.957 -7.419 336 1HH2 ARG 47 1HH2 ARG 47 7.552 -14.973 -5.139 337 2HH2 ARG 47 2HH2 ARG 47 8.110 -16.649 -5.635 338 H MET 48 H MET 48 12.688 -8.486 -8.872 339 HA MET 48 HA MET 48 15.164 -9.046 -10.364 340 1HB MET 48 1HB MET 48 13.921 -6.716 -9.863 341 2HB MET 48 2HB MET 48 15.620 -6.825 -10.284 342 1HG MET 48 1HG MET 48 15.981 -6.910 -7.597 343 2HG MET 48 2HG MET 48 14.367 -6.181 -7.578 344 1HE MET 48 1HE MET 48 14.084 -3.674 -7.495 345 2HE MET 48 2HE MET 48 14.787 -2.611 -8.748 346 3HE MET 48 3HE MET 48 13.734 -3.974 -9.226 347 H LEU 49 H LEU 49 14.263 -9.091 -6.966 348 HA LEU 49 HA LEU 49 16.708 -9.053 -5.529 349 1HB LEU 49 1HB LEU 49 15.674 -10.667 -3.884 350 2HB LEU 49 2HB LEU 49 14.380 -10.999 -5.014 351 HG LEU 49 HG LEU 49 14.674 -8.767 -3.101 352 1HD1 LEU 49 1HD1 LEU 49 12.233 -9.660 -4.759 353 2HD1 LEU 49 2HD1 LEU 49 12.740 -10.421 -3.241 354 3HD1 LEU 49 3HD1 LEU 49 12.214 -8.720 -3.246 355 1HD2 LEU 49 1HD2 LEU 49 13.798 -6.903 -4.446 356 2HD2 LEU 49 2HD2 LEU 49 15.275 -7.484 -5.253 357 3HD2 LEU 49 3HD2 LEU 49 13.689 -7.924 -5.903 358 H GLY 50 H GLY 50 15.190 -11.939 -7.009 359 1HA GLY 50 1HA GLY 50 17.129 -13.133 -8.567 360 2HA GLY 50 2HA GLY 50 17.853 -13.418 -6.979 361 H GLN 51 H GLN 51 14.909 -13.957 -8.873 362 HA GLN 51 HA GLN 51 14.629 -16.764 -7.730 363 1HB GLN 51 1HB GLN 51 11.947 -15.630 -7.905 364 2HB GLN 51 2HB GLN 51 12.922 -14.605 -6.867 365 1HG GLN 51 1HG GLN 51 12.171 -17.535 -6.478 366 2HG GLN 51 2HG GLN 51 13.635 -16.948 -5.721 367 1HE2 GLN 51 1HE2 GLN 51 11.827 -14.863 -3.319 368 2HE2 GLN 51 2HE2 GLN 51 13.412 -15.070 -4.219 369 H ASN 52 H ASN 52 12.240 -17.375 -8.964 370 HA ASN 52 HA ASN 52 12.317 -16.484 -11.831 371 1HB ASN 52 1HB ASN 52 13.946 -18.528 -11.410 372 2HB ASN 52 2HB ASN 52 12.497 -19.509 -11.366 373 1HD2 ASN 52 1HD2 ASN 52 13.458 -19.673 -14.918 374 2HD2 ASN 52 2HD2 ASN 52 13.593 -20.489 -13.280 375 HA PRO 53 HA PRO 53 7.964 -17.438 -10.227 376 1HB PRO 53 1HB PRO 53 6.630 -15.259 -11.266 377 2HB PRO 53 2HB PRO 53 7.652 -15.200 -9.822 378 1HG PRO 53 1HG PRO 53 8.376 -14.342 -12.661 379 2HG PRO 53 2HG PRO 53 8.703 -13.483 -11.138 380 1HD PRO 53 1HD PRO 53 10.648 -14.818 -10.709 381 2HD PRO 53 2HD PRO 53 10.574 -15.138 -12.467 382 H THR 54 H THR 54 5.762 -17.366 -11.571 383 HA THR 54 HA THR 54 6.204 -18.448 -14.401 384 HB THR 54 HB THR 54 5.640 -20.141 -12.360 385 HG1 THR 54 HG1 THR 54 6.067 -20.509 -14.606 386 1HG2 THR 54 1HG2 THR 54 3.276 -20.867 -12.422 387 2HG2 THR 54 2HG2 THR 54 3.375 -19.193 -11.829 388 3HG2 THR 54 3HG2 THR 54 2.844 -19.518 -13.499 389 H LYS 55 H LYS 55 4.104 -18.511 -15.619 390 HA LYS 55 HA LYS 55 3.034 -15.753 -15.743 391 1HB LYS 55 1HB LYS 55 2.794 -18.255 -17.411 392 2HB LYS 55 2HB LYS 55 1.400 -17.198 -17.484 393 1HG LYS 55 1HG LYS 55 3.105 -16.847 -19.303 394 2HG LYS 55 2HG LYS 55 2.637 -15.385 -18.453 395 1HD LYS 55 1HD LYS 55 4.781 -15.191 -17.343 396 2HD LYS 55 2HD LYS 55 5.152 -15.684 -18.988 397 1HE LYS 55 1HE LYS 55 5.397 -17.292 -16.427 398 2HE LYS 55 2HE LYS 55 5.072 -18.186 -17.910 399 1HZ LYS 55 1HZ LYS 55 7.110 -16.474 -18.600 400 2HZ LYS 55 2HZ LYS 55 7.285 -18.068 -18.200 401 3HZ LYS 55 3HZ LYS 55 7.496 -16.900 -17.051 402 H GLU 56 H GLU 56 1.899 -18.893 -14.614 403 HA GLU 56 HA GLU 56 -0.939 -18.278 -14.275 404 1HB GLU 56 1HB GLU 56 0.417 -20.334 -12.503 405 2HB GLU 56 2HB GLU 56 0.410 -20.595 -14.236 406 1HG GLU 56 1HG GLU 56 -1.567 -21.692 -13.770 407 2HG GLU 56 2HG GLU 56 -2.263 -20.089 -13.925 408 H GLU 57 H GLU 57 1.847 -18.180 -12.057 409 HA GLU 57 HA GLU 57 0.372 -17.445 -9.614 410 1HB GLU 57 1HB GLU 57 2.376 -17.319 -8.490 411 2HB GLU 57 2HB GLU 57 3.255 -16.635 -9.841 412 1HG GLU 57 1HG GLU 57 2.552 -19.301 -10.696 413 2HG GLU 57 2HG GLU 57 4.151 -18.683 -10.300 414 H LEU 58 H LEU 58 1.962 -15.630 -12.199 415 HA LEU 58 HA LEU 58 1.904 -12.978 -10.917 416 1HB LEU 58 1HB LEU 58 2.738 -14.131 -13.520 417 2HB LEU 58 2HB LEU 58 2.012 -12.549 -13.711 418 HG LEU 58 HG LEU 58 4.170 -12.944 -11.575 419 1HD1 LEU 58 1HD1 LEU 58 3.653 -10.528 -13.431 420 2HD1 LEU 58 2HD1 LEU 58 2.936 -10.687 -11.821 421 3HD1 LEU 58 3HD1 LEU 58 4.704 -10.577 -11.994 422 1HD2 LEU 58 1HD2 LEU 58 5.981 -12.612 -13.216 423 2HD2 LEU 58 2HD2 LEU 58 5.022 -14.029 -13.713 424 3HD2 LEU 58 3HD2 LEU 58 4.812 -12.482 -14.555 425 H ASP 59 H ASP 59 -0.253 -14.825 -12.999 426 HA ASP 59 HA ASP 59 -2.092 -12.731 -13.846 427 1HB ASP 59 1HB ASP 59 -1.981 -15.002 -14.921 428 2HB ASP 59 2HB ASP 59 -2.723 -15.716 -13.509 429 H ALA 60 H ALA 60 -1.896 -14.723 -10.947 430 HA ALA 60 HA ALA 60 -4.441 -13.828 -9.691 431 1HB ALA 60 1HB ALA 60 -3.562 -14.931 -7.639 432 2HB ALA 60 2HB ALA 60 -3.412 -15.986 -9.057 433 3HB ALA 60 3HB ALA 60 -1.972 -15.162 -8.406 434 H ILE 61 H ILE 61 -1.005 -12.943 -9.432 435 HA ILE 61 HA ILE 61 -1.033 -10.984 -7.336 436 HB ILE 61 HB ILE 61 0.783 -11.616 -9.565 437 1HG1 ILE 61 1HG1 ILE 61 0.853 -11.493 -6.684 438 2HG1 ILE 61 2HG1 ILE 61 2.074 -12.117 -7.772 439 1HG2 ILE 61 1HG2 ILE 61 2.036 -9.441 -9.638 440 2HG2 ILE 61 2HG2 ILE 61 0.403 -9.237 -10.269 441 3HG2 ILE 61 3HG2 ILE 61 0.789 -8.668 -8.628 442 1HD1 ILE 61 1HD1 ILE 61 1.976 -9.209 -6.774 443 2HD1 ILE 61 2HD1 ILE 61 3.126 -10.481 -6.310 444 3HD1 ILE 61 3HD1 ILE 61 3.144 -9.838 -7.969 445 H ILE 62 H ILE 62 -2.012 -10.763 -10.724 446 HA ILE 62 HA ILE 62 -2.559 -7.822 -10.681 447 HB ILE 62 HB ILE 62 -3.247 -9.915 -12.809 448 1HG1 ILE 62 1HG1 ILE 62 -0.735 -8.449 -12.184 449 2HG1 ILE 62 2HG1 ILE 62 -0.993 -9.853 -13.199 450 1HG2 ILE 62 1HG2 ILE 62 -3.665 -7.993 -14.369 451 2HG2 ILE 62 2HG2 ILE 62 -4.791 -7.937 -13.015 452 3HG2 ILE 62 3HG2 ILE 62 -3.397 -6.833 -13.044 453 1HD1 ILE 62 1HD1 ILE 62 -1.365 -6.948 -14.142 454 2HD1 ILE 62 2HD1 ILE 62 -0.069 -8.079 -14.584 455 3HD1 ILE 62 3HD1 ILE 62 -1.735 -8.393 -15.123 456 H GLU 63 H GLU 63 -4.392 -10.861 -10.533 457 HA GLU 63 HA GLU 63 -7.098 -10.017 -10.540 458 1HB GLU 63 1HB GLU 63 -6.080 -12.109 -8.553 459 2HB GLU 63 2HB GLU 63 -6.169 -12.412 -10.277 460 1HG GLU 63 1HG GLU 63 -8.208 -12.885 -8.404 461 2HG GLU 63 2HG GLU 63 -8.734 -11.363 -9.103 462 H GLU 64 H GLU 64 -4.677 -9.678 -8.004 463 HA GLU 64 HA GLU 64 -6.491 -8.669 -5.887 464 1HB GLU 64 1HB GLU 64 -3.850 -9.614 -5.956 465 2HB GLU 64 2HB GLU 64 -3.632 -7.914 -5.593 466 1HG GLU 64 1HG GLU 64 -4.856 -10.103 -3.911 467 2HG GLU 64 2HG GLU 64 -5.664 -8.550 -3.790 468 H VAL 65 H VAL 65 -4.160 -7.186 -8.145 469 HA VAL 65 HA VAL 65 -5.264 -4.400 -7.505 470 HB VAL 65 HB VAL 65 -3.026 -3.625 -8.621 471 1HG1 VAL 65 1HG1 VAL 65 -2.040 -6.398 -7.690 472 2HG1 VAL 65 2HG1 VAL 65 -2.329 -5.975 -9.388 473 3HG1 VAL 65 3HG1 VAL 65 -1.084 -5.107 -8.459 474 1HG2 VAL 65 1HG2 VAL 65 -1.908 -3.474 -6.451 475 2HG2 VAL 65 2HG2 VAL 65 -3.656 -3.384 -6.123 476 3HG2 VAL 65 3HG2 VAL 65 -2.780 -4.890 -5.814 477 H ASP 66 H ASP 66 -6.803 -5.911 -9.103 478 HA ASP 66 HA ASP 66 -6.951 -4.350 -11.622 479 1HB ASP 66 1HB ASP 66 -6.340 -7.320 -12.074 480 2HB ASP 66 2HB ASP 66 -5.098 -6.090 -12.114 481 H GLU 67 H GLU 67 -8.780 -4.233 -9.958 482 HA GLU 67 HA GLU 67 -10.875 -6.398 -10.099 483 1HB GLU 67 1HB GLU 67 -12.166 -4.483 -8.726 484 2HB GLU 67 2HB GLU 67 -10.553 -3.827 -8.516 485 1HG GLU 67 1HG GLU 67 -9.815 -5.691 -7.203 486 2HG GLU 67 2HG GLU 67 -11.024 -6.779 -7.861 487 H ASP 68 H ASP 68 -10.164 -5.284 -12.601 488 HA ASP 68 HA ASP 68 -12.680 -3.745 -13.416 489 1HB ASP 68 1HB ASP 68 -11.377 -2.004 -13.995 490 2HB ASP 68 2HB ASP 68 -10.926 -2.966 -15.384 491 H GLY 69 H GLY 69 -9.985 -5.112 -15.304 492 1HA GLY 69 1HA GLY 69 -11.858 -6.459 -17.229 493 2HA GLY 69 2HA GLY 69 -11.010 -7.617 -16.201 494 H SER 70 H SER 70 -9.735 -4.525 -17.348 495 HA SER 70 HA SER 70 -8.432 -5.104 -19.771 496 1HB SER 70 1HB SER 70 -8.514 -2.866 -18.533 497 2HB SER 70 2HB SER 70 -7.034 -3.212 -19.432 498 HG SER 70 HG SER 70 -7.106 -2.480 -17.045 499 H GLY 71 H GLY 71 -6.950 -5.486 -16.525 500 1HA GLY 71 1HA GLY 71 -5.357 -7.911 -17.478 501 2HA GLY 71 2HA GLY 71 -5.635 -7.471 -15.788 502 H THR 72 H THR 72 -4.676 -5.137 -18.225 503 HA THR 72 HA THR 72 -1.767 -5.130 -17.440 504 HB THR 72 HB THR 72 -1.877 -2.959 -19.037 505 HG1 THR 72 HG1 THR 72 -3.592 -4.334 -20.564 506 1HG2 THR 72 1HG2 THR 72 -1.300 -4.335 -20.996 507 2HG2 THR 72 2HG2 THR 72 -0.485 -5.003 -19.565 508 3HG2 THR 72 3HG2 THR 72 -1.928 -5.811 -20.230 509 H ILE 73 H ILE 73 -0.766 -3.572 -16.265 510 HA ILE 73 HA ILE 73 -2.514 -1.800 -14.509 511 HB ILE 73 HB ILE 73 0.430 -2.563 -14.148 512 1HG1 ILE 73 1HG1 ILE 73 -1.689 -4.303 -13.777 513 2HG1 ILE 73 2HG1 ILE 73 -0.170 -4.389 -12.910 514 1HG2 ILE 73 1HG2 ILE 73 0.287 -1.526 -11.887 515 2HG2 ILE 73 2HG2 ILE 73 -0.123 -0.321 -13.115 516 3HG2 ILE 73 3HG2 ILE 73 -1.413 -1.075 -12.148 517 1HD1 ILE 73 1HD1 ILE 73 -2.712 -3.057 -11.806 518 2HD1 ILE 73 2HD1 ILE 73 -1.986 -4.597 -11.300 519 3HD1 ILE 73 3HD1 ILE 73 -1.128 -3.071 -10.984 520 H ASP 74 H ASP 74 -2.964 -0.359 -16.226 521 HA ASP 74 HA ASP 74 -0.870 1.173 -17.656 522 1HB ASP 74 1HB ASP 74 -3.037 2.778 -18.032 523 2HB ASP 74 2HB ASP 74 -2.672 1.365 -18.996 524 H PHE 75 H PHE 75 -1.193 3.713 -17.536 525 HA PHE 75 HA PHE 75 -0.115 4.614 -14.929 526 1HB PHE 75 1HB PHE 75 0.197 5.589 -17.434 527 2HB PHE 75 2HB PHE 75 -1.158 6.595 -16.995 528 HD1 PHE 75 HD1 PHE 75 0.227 6.169 -13.860 529 HD2 PHE 75 HD2 PHE 75 1.244 8.030 -17.606 530 HE1 PHE 75 HE1 PHE 75 1.777 7.686 -12.698 531 HE2 PHE 75 HE2 PHE 75 2.794 9.535 -16.423 532 HZ PHE 75 HZ PHE 75 3.053 9.376 -13.973 533 H GLU 76 H GLU 76 -3.272 4.480 -16.438 534 HA GLU 76 HA GLU 76 -4.588 6.276 -14.384 535 1HB GLU 76 1HB GLU 76 -6.538 5.039 -16.123 536 2HB GLU 76 2HB GLU 76 -6.130 6.725 -15.891 537 1HG GLU 76 1HG GLU 76 -4.231 6.431 -17.620 538 2HG GLU 76 2HG GLU 76 -4.821 4.807 -17.903 539 H GLU 77 H GLU 77 -3.398 4.059 -13.291 540 HA GLU 77 HA GLU 77 -5.651 2.812 -11.797 541 1HB GLU 77 1HB GLU 77 -5.834 1.247 -13.568 542 2HB GLU 77 2HB GLU 77 -4.104 1.094 -13.767 543 1HG GLU 77 1HG GLU 77 -5.451 0.159 -11.170 544 2HG GLU 77 2HG GLU 77 -3.864 -0.293 -11.781 545 H PHE 78 H PHE 78 -2.205 2.734 -12.637 546 HA PHE 78 HA PHE 78 -1.076 1.573 -10.270 547 1HB PHE 78 1HB PHE 78 0.222 2.132 -12.361 548 2HB PHE 78 2HB PHE 78 0.149 3.834 -11.981 549 HD1 PHE 78 HD1 PHE 78 1.168 0.588 -10.237 550 HD2 PHE 78 HD2 PHE 78 2.113 4.720 -10.976 551 HE1 PHE 78 HE1 PHE 78 3.293 0.331 -9.021 552 HE2 PHE 78 HE2 PHE 78 4.229 4.446 -9.751 553 HZ PHE 78 HZ PHE 78 4.830 2.253 -8.785 554 H LEU 79 H LEU 79 -1.965 4.947 -10.950 555 HA LEU 79 HA LEU 79 -0.992 6.156 -8.466 556 1HB LEU 79 1HB LEU 79 -3.353 7.217 -10.116 557 2HB LEU 79 2HB LEU 79 -2.322 8.127 -9.032 558 HG LEU 79 HG LEU 79 -1.525 6.949 -11.760 559 1HD1 LEU 79 1HD1 LEU 79 0.331 8.478 -9.830 560 2HD1 LEU 79 2HD1 LEU 79 0.375 6.722 -10.076 561 3HD1 LEU 79 3HD1 LEU 79 0.759 7.816 -11.429 562 1HD2 LEU 79 1HD2 LEU 79 -1.237 9.279 -12.488 563 2HD2 LEU 79 2HD2 LEU 79 -2.849 9.160 -11.740 564 3HD2 LEU 79 3HD2 LEU 79 -1.515 9.895 -10.839 565 H VAL 80 H VAL 80 -4.062 4.679 -9.417 566 HA VAL 80 HA VAL 80 -5.666 5.395 -7.051 567 HB VAL 80 HB VAL 80 -6.140 2.892 -8.732 568 1HG1 VAL 80 1HG1 VAL 80 -7.192 5.693 -9.471 569 2HG1 VAL 80 2HG1 VAL 80 -5.785 4.956 -10.248 570 3HG1 VAL 80 3HG1 VAL 80 -7.377 4.176 -10.389 571 1HG2 VAL 80 1HG2 VAL 80 -8.514 3.204 -8.206 572 2HG2 VAL 80 2HG2 VAL 80 -7.629 3.261 -6.664 573 3HG2 VAL 80 3HG2 VAL 80 -8.203 4.763 -7.404 574 H MET 81 H MET 81 -3.364 2.852 -7.850 575 HA MET 81 HA MET 81 -3.762 1.023 -5.615 576 1HB MET 81 1HB MET 81 -0.936 1.417 -6.626 577 2HB MET 81 2HB MET 81 -2.142 0.938 -7.806 578 1HG MET 81 1HG MET 81 -1.984 -0.661 -5.207 579 2HG MET 81 2HG MET 81 -2.515 -1.183 -6.815 580 1HE MET 81 1HE MET 81 -0.749 -0.966 -8.996 581 2HE MET 81 2HE MET 81 0.643 -2.066 -8.765 582 3HE MET 81 3HE MET 81 -1.006 -2.621 -8.360 583 H MET 82 H MET 82 -1.112 3.396 -5.986 584 HA MET 82 HA MET 82 -0.066 3.300 -3.327 585 1HB MET 82 1HB MET 82 1.281 5.102 -3.857 586 2HB MET 82 2HB MET 82 0.854 4.531 -5.460 587 1HG MET 82 1HG MET 82 -0.834 6.747 -4.181 588 2HG MET 82 2HG MET 82 -0.600 6.376 -5.893 589 1HE MET 82 1HE MET 82 1.445 7.164 -2.605 590 2HE MET 82 2HE MET 82 0.629 8.716 -2.954 591 3HE MET 82 3HE MET 82 2.407 8.595 -3.093 592 H VAL 83 H VAL 83 -2.832 5.065 -4.593 593 HA VAL 83 HA VAL 83 -3.211 6.960 -2.376 594 HB VAL 83 HB VAL 83 -4.463 6.502 -4.914 595 1HG1 VAL 83 1HG1 VAL 83 -6.884 6.864 -4.414 596 2HG1 VAL 83 2HG1 VAL 83 -6.343 5.308 -3.769 597 3HG1 VAL 83 3HG1 VAL 83 -6.576 6.686 -2.667 598 1HG2 VAL 83 1HG2 VAL 83 -4.950 8.787 -2.888 599 2HG2 VAL 83 2HG2 VAL 83 -3.673 8.750 -4.126 600 3HG2 VAL 83 3HG2 VAL 83 -5.370 8.813 -4.620 601 NH1 ARG 84 NH1 ARG 84 -9.332 -1.166 -3.903 602 NH2 ARG 84 NH2 ARG 84 -7.920 -2.890 -4.347 603 H ARG 84 H ARG 84 -4.591 3.781 -3.192 604 HA ARG 84 HA ARG 84 -6.677 3.485 -1.219 605 1HB ARG 84 1HB ARG 84 -4.972 1.563 -2.796 606 2HB ARG 84 2HB ARG 84 -5.656 0.917 -1.312 607 1HG ARG 84 1HG ARG 84 -7.630 2.446 -2.983 608 2HG ARG 84 2HG ARG 84 -7.840 0.943 -2.081 609 1HD ARG 84 1HD ARG 84 -7.847 0.913 -4.755 610 2HD ARG 84 2HD ARG 84 -6.089 0.941 -4.607 611 HE ARG 84 HE ARG 84 -6.205 -1.289 -3.449 612 1HH1 ARG 84 1HH1 ARG 84 -6.952 -3.211 -4.455 613 2HH1 ARG 84 2HH1 ARG 84 -8.771 -3.455 -4.447 614 1HH2 ARG 84 1HH2 ARG 84 -9.444 -0.163 -3.722 615 2HH2 ARG 84 2HH2 ARG 84 -10.081 -1.863 -3.986 616 H GLN 85 H GLN 85 -3.205 2.663 -0.979 617 HA GLN 85 HA GLN 85 -3.322 1.735 1.851 618 1HB GLN 85 1HB GLN 85 -0.919 2.427 0.065 619 2HB GLN 85 2HB GLN 85 -0.787 1.799 1.697 620 1HG GLN 85 1HG GLN 85 -2.565 -0.002 0.298 621 2HG GLN 85 2HG GLN 85 -1.258 0.347 -0.812 622 1HE2 GLN 85 1HE2 GLN 85 1.179 -0.964 1.840 623 2HE2 GLN 85 2HE2 GLN 85 0.938 0.601 0.914 624 H MET 86 H MET 86 -2.573 4.721 0.134 625 HA MET 86 HA MET 86 -1.244 6.294 2.141 626 1HB MET 86 1HB MET 86 -2.543 6.860 -0.412 627 2HB MET 86 2HB MET 86 -3.038 8.078 0.749 628 1HG MET 86 1HG MET 86 -0.225 7.894 1.176 629 2HG MET 86 2HG MET 86 -0.412 7.727 -0.578 630 1HE MET 86 1HE MET 86 -3.132 9.324 -1.236 631 2HE MET 86 2HE MET 86 -2.501 10.967 -1.553 632 3HE MET 86 3HE MET 86 -1.634 9.541 -2.194 633 H LYS 87 H LYS 87 -4.667 5.586 1.651 634 HA LYS 87 HA LYS 87 -6.003 7.453 3.363 635 1HB LYS 87 1HB LYS 87 -6.662 4.555 2.660 636 2HB LYS 87 2HB LYS 87 -7.574 5.356 3.931 637 1HG LYS 87 1HG LYS 87 -8.003 5.535 1.109 638 2HG LYS 87 2HG LYS 87 -7.421 7.126 1.571 639 1HD LYS 87 1HD LYS 87 -9.240 7.042 3.478 640 2HD LYS 87 2HD LYS 87 -9.732 7.342 1.815 641 1HE LYS 87 1HE LYS 87 -10.592 5.065 1.522 642 2HE LYS 87 2HE LYS 87 -9.810 4.492 3.002 643 1HZ LYS 87 1HZ LYS 87 -12.261 6.038 2.706 644 2HZ LYS 87 2HZ LYS 87 -11.321 6.446 4.002 645 3HZ LYS 87 3HZ LYS 87 -11.860 4.894 3.828 646 H GLU 88 H GLU 88 -4.953 7.996 5.190 647 HA GLU 88 HA GLU 88 -3.906 6.017 7.173 648 1HB GLU 88 1HB GLU 88 -3.594 8.179 8.605 649 2HB GLU 88 2HB GLU 88 -4.071 9.068 7.172 650 1HG GLU 88 1HG GLU 88 -1.911 9.005 6.459 651 2HG GLU 88 2HG GLU 88 -2.041 7.268 6.243 652 H ASP 89 H ASP 89 -6.742 8.057 6.713 653 HA ASP 89 HA ASP 89 -8.014 7.657 9.358 654 1HB ASP 89 1HB ASP 89 -9.164 8.600 6.679 655 2HB ASP 89 2HB ASP 89 -10.179 8.333 8.077 656 H ALA 90 H ALA 90 -9.432 6.149 10.010 657 HA ALA 90 HA ALA 90 -10.398 3.960 8.125 658 1HB ALA 90 1HB ALA 90 -9.775 2.137 9.733 659 2HB ALA 90 2HB ALA 90 -8.328 2.983 9.151 660 3HB ALA 90 3HB ALA 90 -8.947 3.310 10.788 Start of MODEL 32 Raw file had 660 H/Q atoms Start of MODEL 32 1 1H ALA 1 1H ALA 1 -20.336 9.070 -17.661 2 2H ALA 1 2H ALA 1 -19.738 10.132 -18.820 3 3H ALA 1 3H ALA 1 -18.685 9.372 -17.752 4 HA ALA 1 HA ALA 1 -19.709 11.848 -17.490 5 1HB ALA 1 1HB ALA 1 -21.174 11.345 -15.269 6 2HB ALA 1 2HB ALA 1 -21.524 9.824 -16.114 7 3HB ALA 1 3HB ALA 1 -21.937 11.381 -16.877 8 H SER 2 H SER 2 -18.951 8.872 -15.691 9 HA SER 2 HA SER 2 -16.359 9.780 -14.678 10 1HB SER 2 1HB SER 2 -16.993 9.946 -12.187 11 2HB SER 2 2HB SER 2 -17.382 11.327 -13.215 12 HG SER 2 HG SER 2 -19.470 10.800 -13.189 13 H MET 3 H MET 3 -19.197 7.908 -13.546 14 HA MET 3 HA MET 3 -19.547 5.564 -13.164 15 1HB MET 3 1HB MET 3 -18.684 5.260 -15.430 16 2HB MET 3 2HB MET 3 -17.017 5.365 -14.892 17 1HG MET 3 1HG MET 3 -17.297 3.038 -15.139 18 2HG MET 3 2HG MET 3 -17.594 3.229 -13.406 19 1HE MET 3 1HE MET 3 -20.435 1.768 -16.660 20 2HE MET 3 2HE MET 3 -19.066 0.859 -15.955 21 3HE MET 3 3HE MET 3 -18.762 2.388 -16.831 22 H THR 4 H THR 4 -16.061 5.154 -13.230 23 HA THR 4 HA THR 4 -16.069 4.304 -10.335 24 HB THR 4 HB THR 4 -13.649 3.572 -10.868 25 HG1 THR 4 HG1 THR 4 -13.319 4.568 -12.734 26 1HG2 THR 4 1HG2 THR 4 -14.914 1.637 -10.646 27 2HG2 THR 4 2HG2 THR 4 -14.617 1.542 -12.397 28 3HG2 THR 4 3HG2 THR 4 -16.174 2.160 -11.785 29 H ASP 5 H ASP 5 -16.060 6.096 -9.113 30 HA ASP 5 HA ASP 5 -14.126 8.372 -9.536 31 1HB ASP 5 1HB ASP 5 -15.387 9.633 -8.104 32 2HB ASP 5 2HB ASP 5 -15.637 8.331 -6.962 33 H GLN 6 H GLN 6 -12.856 5.916 -9.210 34 HA GLN 6 HA GLN 6 -11.678 5.777 -6.424 35 1HB GLN 6 1HB GLN 6 -10.563 3.816 -7.081 36 2HB GLN 6 2HB GLN 6 -12.111 3.726 -7.900 37 1HG GLN 6 1HG GLN 6 -9.447 4.545 -9.210 38 2HG GLN 6 2HG GLN 6 -10.986 4.580 -10.041 39 1HE2 GLN 6 1HE2 GLN 6 -9.114 0.941 -9.391 40 2HE2 GLN 6 2HE2 GLN 6 -8.643 2.432 -8.432 41 H GLN 7 H GLN 7 -10.552 6.408 -9.762 42 HA GLN 7 HA GLN 7 -7.853 7.416 -9.068 43 1HB GLN 7 1HB GLN 7 -7.604 7.172 -11.307 44 2HB GLN 7 2HB GLN 7 -9.332 6.911 -11.494 45 1HG GLN 7 1HG GLN 7 -9.233 9.704 -11.261 46 2HG GLN 7 2HG GLN 7 -7.735 9.364 -12.114 47 1HE2 GLN 7 1HE2 GLN 7 -11.370 8.411 -13.950 48 2HE2 GLN 7 2HE2 GLN 7 -11.232 8.487 -12.122 49 H ALA 8 H ALA 8 -11.064 8.831 -9.393 50 HA ALA 8 HA ALA 8 -10.384 11.669 -9.430 51 1HB ALA 8 1HB ALA 8 -12.748 12.052 -8.748 52 2HB ALA 8 2HB ALA 8 -12.636 10.845 -10.043 53 3HB ALA 8 3HB ALA 8 -12.952 10.325 -8.368 54 H GLU 9 H GLU 9 -10.755 9.311 -6.836 55 HA GLU 9 HA GLU 9 -10.848 11.206 -4.561 56 1HB GLU 9 1HB GLU 9 -10.419 8.175 -4.717 57 2HB GLU 9 2HB GLU 9 -10.149 9.039 -3.210 58 1HG GLU 9 1HG GLU 9 -12.596 7.989 -3.982 59 2HG GLU 9 2HG GLU 9 -12.809 9.655 -4.506 60 H ALA 10 H ALA 10 -8.307 8.886 -5.565 61 HA ALA 10 HA ALA 10 -6.214 9.882 -3.779 62 1HB ALA 10 1HB ALA 10 -4.663 8.486 -5.136 63 2HB ALA 10 2HB ALA 10 -6.149 7.601 -4.743 64 3HB ALA 10 3HB ALA 10 -5.911 8.255 -6.384 65 NH1 ARG 11 NH1 ARG 11 -2.730 13.075 -12.697 66 NH2 ARG 11 NH2 ARG 11 -3.155 11.158 -13.840 67 H ARG 11 H ARG 11 -7.296 10.819 -6.977 68 HA ARG 11 HA ARG 11 -4.891 12.338 -7.855 69 1HB ARG 11 1HB ARG 11 -7.731 12.008 -8.899 70 2HB ARG 11 2HB ARG 11 -6.812 13.409 -9.427 71 1HG ARG 11 1HG ARG 11 -5.604 10.602 -9.646 72 2HG ARG 11 2HG ARG 11 -6.692 11.229 -10.886 73 1HD ARG 11 1HD ARG 11 -5.194 13.171 -11.316 74 2HD ARG 11 2HD ARG 11 -4.123 12.705 -9.993 75 HE ARG 11 HE ARG 11 -4.027 10.410 -11.590 76 1HH1 ARG 11 1HH1 ARG 11 -2.862 13.619 -11.837 77 2HH1 ARG 11 2HH1 ARG 11 -2.197 13.356 -13.527 78 1HH2 ARG 11 1HH2 ARG 11 -3.569 10.219 -13.833 79 2HH2 ARG 11 2HH2 ARG 11 -2.630 11.593 -14.606 80 H ALA 12 H ALA 12 -8.034 13.157 -6.406 81 HA ALA 12 HA ALA 12 -7.774 16.092 -6.483 82 1HB ALA 12 1HB ALA 12 -9.685 16.125 -4.894 83 2HB ALA 12 2HB ALA 12 -9.982 15.002 -6.236 84 3HB ALA 12 3HB ALA 12 -9.537 14.370 -4.631 85 H PHE 13 H PHE 13 -6.775 13.578 -4.224 86 HA PHE 13 HA PHE 13 -6.071 15.319 -1.942 87 1HB PHE 13 1HB PHE 13 -5.035 12.487 -2.524 88 2HB PHE 13 2HB PHE 13 -6.616 12.810 -1.860 89 HD1 PHE 13 HD1 PHE 13 -4.832 15.403 -0.396 90 HD2 PHE 13 HD2 PHE 13 -4.935 11.101 -0.281 91 HE1 PHE 13 HE1 PHE 13 -3.829 15.427 1.852 92 HE2 PHE 13 HE2 PHE 13 -3.938 11.147 1.967 93 HZ PHE 13 HZ PHE 13 -3.371 13.304 3.032 94 H LEU 14 H LEU 14 -4.218 13.683 -4.521 95 HA LEU 14 HA LEU 14 -1.587 14.937 -3.732 96 1HB LEU 14 1HB LEU 14 -0.578 13.633 -5.516 97 2HB LEU 14 2HB LEU 14 -2.122 13.300 -6.269 98 HG LEU 14 HG LEU 14 -2.534 12.143 -3.765 99 1HD1 LEU 14 1HD1 LEU 14 -2.208 9.959 -4.928 100 2HD1 LEU 14 2HD1 LEU 14 -3.067 11.104 -5.974 101 3HD1 LEU 14 3HD1 LEU 14 -1.341 10.766 -6.260 102 1HD2 LEU 14 1HD2 LEU 14 0.444 11.658 -4.450 103 2HD2 LEU 14 2HD2 LEU 14 -0.177 12.491 -3.004 104 3HD2 LEU 14 3HD2 LEU 14 -0.500 10.765 -3.230 105 H SER 15 H SER 15 -0.318 15.931 -5.586 106 HA SER 15 HA SER 15 -2.046 17.950 -7.119 107 1HB SER 15 1HB SER 15 0.882 18.501 -6.569 108 2HB SER 15 2HB SER 15 -0.259 18.626 -5.227 109 HG SER 15 HG SER 15 -0.266 20.557 -6.170 110 H GLU 16 H GLU 16 -0.476 18.883 -8.975 111 HA GLU 16 HA GLU 16 -0.164 16.693 -10.970 112 1HB GLU 16 1HB GLU 16 -1.013 19.108 -11.396 113 2HB GLU 16 2HB GLU 16 0.668 19.607 -11.385 114 1HG GLU 16 1HG GLU 16 -0.572 19.012 -13.675 115 2HG GLU 16 2HG GLU 16 1.128 18.631 -13.462 116 H GLU 17 H GLU 17 1.909 18.728 -8.987 117 HA GLU 17 HA GLU 17 4.485 17.852 -10.281 118 1HB GLU 17 1HB GLU 17 3.867 19.733 -7.961 119 2HB GLU 17 2HB GLU 17 5.505 19.185 -8.258 120 1HG GLU 17 1HG GLU 17 3.734 20.943 -10.044 121 2HG GLU 17 2HG GLU 17 5.090 20.081 -10.750 122 H MET 18 H MET 18 2.560 17.221 -7.391 123 HA MET 18 HA MET 18 4.385 15.476 -5.885 124 1HB MET 18 1HB MET 18 1.437 14.830 -5.802 125 2HB MET 18 2HB MET 18 1.883 16.466 -5.350 126 1HG MET 18 1HG MET 18 2.529 13.863 -3.923 127 2HG MET 18 2HG MET 18 3.705 15.180 -3.783 128 1HE MET 18 1HE MET 18 3.418 15.566 -1.207 129 2HE MET 18 2HE MET 18 1.832 15.666 -0.386 130 3HE MET 18 3HE MET 18 2.335 14.139 -1.170 131 H ILE 19 H ILE 19 2.148 14.992 -8.579 132 HA ILE 19 HA ILE 19 2.118 12.052 -8.619 133 HB ILE 19 HB ILE 19 1.262 14.197 -10.558 134 1HG1 ILE 19 1HG1 ILE 19 -0.918 13.336 -10.244 135 2HG1 ILE 19 2HG1 ILE 19 -0.366 11.707 -9.916 136 1HG2 ILE 19 1HG2 ILE 19 0.727 12.547 -12.369 137 2HG2 ILE 19 2HG2 ILE 19 2.468 12.608 -12.096 138 3HG2 ILE 19 3HG2 ILE 19 1.525 11.246 -11.451 139 1HD1 ILE 19 1HD1 ILE 19 -0.204 14.025 -7.900 140 2HD1 ILE 19 2HD1 ILE 19 -1.290 12.620 -7.859 141 3HD1 ILE 19 3HD1 ILE 19 0.459 12.390 -7.627 142 H ALA 20 H ALA 20 4.200 14.555 -9.990 143 HA ALA 20 HA ALA 20 5.756 13.081 -11.902 144 1HB ALA 20 1HB ALA 20 7.508 14.827 -11.598 145 2HB ALA 20 2HB ALA 20 5.886 15.542 -11.686 146 3HB ALA 20 3HB ALA 20 6.715 15.406 -10.115 147 H GLU 21 H GLU 21 6.169 13.396 -8.385 148 HA GLU 21 HA GLU 21 8.814 12.241 -8.074 149 1HB GLU 21 1HB GLU 21 8.190 11.818 -5.692 150 2HB GLU 21 2HB GLU 21 6.512 12.177 -6.048 151 1HG GLU 21 1HG GLU 21 8.890 14.135 -6.147 152 2HG GLU 21 2HG GLU 21 7.319 14.549 -6.810 153 H PHE 22 H PHE 22 5.600 10.821 -8.340 154 HA PHE 22 HA PHE 22 6.462 8.015 -7.708 155 1HB PHE 22 1HB PHE 22 3.746 8.964 -8.808 156 2HB PHE 22 2HB PHE 22 4.113 7.383 -8.172 157 HD1 PHE 22 HD1 PHE 22 4.107 11.011 -7.068 158 HD2 PHE 22 HD2 PHE 22 3.778 6.890 -5.870 159 HE1 PHE 22 HE1 PHE 22 3.636 11.709 -4.758 160 HE2 PHE 22 HE2 PHE 22 3.299 7.610 -3.565 161 HZ PHE 22 HZ PHE 22 3.230 10.016 -3.004 162 H LYS 23 H LYS 23 5.930 10.045 -10.515 163 HA LYS 23 HA LYS 23 5.591 8.228 -12.703 164 1HB LYS 23 1HB LYS 23 6.602 10.992 -12.418 165 2HB LYS 23 2HB LYS 23 7.507 10.137 -13.648 166 1HG LYS 23 1HG LYS 23 4.943 9.460 -14.437 167 2HG LYS 23 2HG LYS 23 4.617 10.979 -13.620 168 1HD LYS 23 1HD LYS 23 6.916 10.946 -15.616 169 2HD LYS 23 2HD LYS 23 5.857 12.285 -15.157 170 1HE LYS 23 1HE LYS 23 4.862 11.848 -17.212 171 2HE LYS 23 2HE LYS 23 3.956 10.637 -16.293 172 1HZ LYS 23 1HZ LYS 23 5.356 10.042 -18.453 173 2HZ LYS 23 2HZ LYS 23 5.140 8.949 -17.233 174 3HZ LYS 23 3HZ LYS 23 6.556 9.792 -17.346 175 H ALA 24 H ALA 24 8.596 9.223 -11.066 176 HA ALA 24 HA ALA 24 10.584 7.972 -12.732 177 1HB ALA 24 1HB ALA 24 12.074 8.024 -10.741 178 2HB ALA 24 2HB ALA 24 11.173 9.542 -10.911 179 3HB ALA 24 3HB ALA 24 10.688 8.354 -9.674 180 H ALA 25 H ALA 25 9.208 6.669 -9.689 181 HA ALA 25 HA ALA 25 10.398 3.986 -9.906 182 1HB ALA 25 1HB ALA 25 8.934 3.410 -7.980 183 2HB ALA 25 2HB ALA 25 9.746 4.965 -7.722 184 3HB ALA 25 3HB ALA 25 8.022 4.926 -8.173 185 H PHE 26 H PHE 26 7.604 5.447 -11.333 186 HA PHE 26 HA PHE 26 5.764 3.167 -11.526 187 1HB PHE 26 1HB PHE 26 4.762 5.280 -11.920 188 2HB PHE 26 2HB PHE 26 5.968 5.792 -13.070 189 HD1 PHE 26 HD1 PHE 26 5.561 5.450 -15.446 190 HD2 PHE 26 HD2 PHE 26 3.161 3.302 -12.594 191 HE1 PHE 26 HE1 PHE 26 4.049 4.723 -17.249 192 HE2 PHE 26 HE2 PHE 26 1.658 2.588 -14.410 193 HZ PHE 26 HZ PHE 26 2.099 3.293 -16.736 194 H ASP 27 H ASP 27 8.163 4.531 -13.799 195 HA ASP 27 HA ASP 27 7.845 2.462 -15.879 196 1HB ASP 27 1HB ASP 27 8.747 4.760 -16.367 197 2HB ASP 27 2HB ASP 27 9.668 3.444 -17.057 198 H MET 28 H MET 28 9.899 2.873 -13.055 199 HA MET 28 HA MET 28 11.897 0.809 -13.496 200 1HB MET 28 1HB MET 28 10.836 1.287 -10.677 201 2HB MET 28 2HB MET 28 11.674 2.579 -11.518 202 1HG MET 28 1HG MET 28 12.864 -0.204 -10.917 203 2HG MET 28 2HG MET 28 13.696 1.067 -11.828 204 1HE MET 28 1HE MET 28 12.983 -0.442 -8.399 205 2HE MET 28 2HE MET 28 12.900 0.941 -7.267 206 3HE MET 28 3HE MET 28 11.561 0.649 -8.416 207 H PHE 29 H PHE 29 8.610 0.685 -12.190 208 HA PHE 29 HA PHE 29 8.612 -2.200 -11.448 209 1HB PHE 29 1HB PHE 29 5.960 -1.741 -11.614 210 2HB PHE 29 2HB PHE 29 6.444 -0.067 -11.667 211 HD1 PHE 29 HD1 PHE 29 9.014 -1.479 -9.748 212 HD2 PHE 29 HD2 PHE 29 4.814 -0.581 -9.451 213 HE1 PHE 29 HE1 PHE 29 9.181 -1.450 -7.293 214 HE2 PHE 29 HE2 PHE 29 5.004 -0.562 -6.997 215 HZ PHE 29 HZ PHE 29 7.178 -1.009 -5.915 216 H ASP 30 H ASP 30 7.679 -0.223 -14.231 217 HA ASP 30 HA ASP 30 6.492 -2.388 -15.867 218 1HB ASP 30 1HB ASP 30 7.651 0.079 -17.202 219 2HB ASP 30 2HB ASP 30 6.319 0.298 -16.091 220 H ALA 31 H ALA 31 7.887 -1.901 -18.316 221 HA ALA 31 HA ALA 31 10.757 -2.833 -17.908 222 1HB ALA 31 1HB ALA 31 10.421 -4.887 -19.290 223 2HB ALA 31 2HB ALA 31 9.455 -4.929 -17.802 224 3HB ALA 31 3HB ALA 31 8.669 -4.585 -19.365 225 H ASP 32 H ASP 32 8.104 -2.155 -20.186 226 HA ASP 32 HA ASP 32 10.038 -1.361 -22.386 227 1HB ASP 32 1HB ASP 32 8.546 -2.497 -23.632 228 2HB ASP 32 2HB ASP 32 7.575 -1.044 -23.563 229 H GLY 33 H GLY 33 9.814 0.246 -20.023 230 1HA GLY 33 1HA GLY 33 9.615 2.585 -19.361 231 2HA GLY 33 2HA GLY 33 10.094 2.841 -21.024 232 H GLY 34 H GLY 34 7.363 2.490 -18.817 233 1HA GLY 34 1HA GLY 34 5.827 4.700 -20.065 234 2HA GLY 34 2HA GLY 34 5.270 3.689 -18.725 235 H GLY 35 H GLY 35 3.283 3.184 -19.387 236 1HA GLY 35 1HA GLY 35 1.739 2.886 -21.507 237 2HA GLY 35 2HA GLY 35 2.917 1.676 -22.034 238 H ASP 36 H ASP 36 1.498 2.317 -18.830 239 HA ASP 36 HA ASP 36 0.463 0.876 -17.203 240 1HB ASP 36 1HB ASP 36 -1.429 -0.110 -17.910 241 2HB ASP 36 2HB ASP 36 -0.572 -1.241 -18.932 242 H ILE 37 H ILE 37 0.608 -1.310 -16.293 243 HA ILE 37 HA ILE 37 3.289 -2.634 -16.925 244 HB ILE 37 HB ILE 37 2.024 -3.531 -14.425 245 1HG1 ILE 37 1HG1 ILE 37 1.786 -0.712 -14.746 246 2HG1 ILE 37 2HG1 ILE 37 1.605 -1.645 -13.273 247 1HG2 ILE 37 1HG2 ILE 37 4.325 -3.366 -13.556 248 2HG2 ILE 37 2HG2 ILE 37 4.341 -4.130 -15.151 249 3HG2 ILE 37 3HG2 ILE 37 4.845 -2.432 -14.979 250 1HD1 ILE 37 1HD1 ILE 37 4.233 -0.330 -14.189 251 2HD1 ILE 37 2HD1 ILE 37 3.182 0.167 -12.846 252 3HD1 ILE 37 3HD1 ILE 37 4.067 -1.373 -12.751 253 H SER 38 H SER 38 2.895 -5.060 -15.694 254 HA SER 38 HA SER 38 0.413 -6.395 -16.752 255 1HB SER 38 1HB SER 38 2.283 -6.188 -18.663 256 2HB SER 38 2HB SER 38 1.245 -7.608 -18.511 257 HG SER 38 HG SER 38 3.226 -8.400 -18.611 258 H THR 39 H THR 39 1.318 -9.000 -16.664 259 HA THR 39 HA THR 39 1.622 -9.464 -13.704 260 HB THR 39 HB THR 39 1.494 -11.998 -14.593 261 HG1 THR 39 HG1 THR 39 0.449 -12.190 -16.434 262 1HG2 THR 39 1HG2 THR 39 -0.944 -11.994 -14.304 263 2HG2 THR 39 2HG2 THR 39 -0.226 -10.910 -13.089 264 3HG2 THR 39 3HG2 THR 39 -1.031 -10.232 -14.529 265 H LYS 40 H LYS 40 3.211 -10.745 -16.660 266 HA LYS 40 HA LYS 40 5.508 -11.958 -15.410 267 1HB LYS 40 1HB LYS 40 5.377 -10.718 -18.209 268 2HB LYS 40 2HB LYS 40 4.754 -12.300 -17.821 269 1HG LYS 40 1HG LYS 40 7.284 -12.755 -17.026 270 2HG LYS 40 2HG LYS 40 6.845 -12.830 -18.712 271 1HD LYS 40 1HD LYS 40 7.851 -10.116 -17.804 272 2HD LYS 40 2HD LYS 40 8.965 -11.442 -17.644 273 1HE LYS 40 1HE LYS 40 9.118 -10.130 -19.836 274 2HE LYS 40 2HE LYS 40 9.150 -11.883 -19.962 275 1HZ LYS 40 1HZ LYS 40 7.403 -11.713 -21.329 276 2HZ LYS 40 2HZ LYS 40 7.356 -10.072 -21.146 277 3HZ LYS 40 3HZ LYS 40 6.464 -11.040 -20.148 278 H GLU 41 H GLU 41 4.959 -8.659 -16.621 279 HA GLU 41 HA GLU 41 7.647 -7.570 -16.432 280 1HB GLU 41 1HB GLU 41 6.665 -5.338 -16.478 281 2HB GLU 41 2HB GLU 41 5.088 -5.956 -16.038 282 1HG GLU 41 1HG GLU 41 6.512 -6.652 -18.684 283 2HG GLU 41 2HG GLU 41 4.898 -7.150 -18.224 284 H LEU 42 H LEU 42 4.927 -7.358 -14.112 285 HA LEU 42 HA LEU 42 6.329 -5.875 -12.012 286 1HB LEU 42 1HB LEU 42 4.123 -7.818 -11.253 287 2HB LEU 42 2HB LEU 42 3.712 -6.545 -12.381 288 HG LEU 42 HG LEU 42 4.871 -4.956 -10.504 289 1HD1 LEU 42 1HD1 LEU 42 3.795 -7.264 -8.768 290 2HD1 LEU 42 2HD1 LEU 42 5.517 -6.974 -9.059 291 3HD1 LEU 42 3HD1 LEU 42 4.545 -5.749 -8.205 292 1HD2 LEU 42 1HD2 LEU 42 2.626 -4.461 -9.601 293 2HD2 LEU 42 2HD2 LEU 42 2.452 -4.844 -11.332 294 3HD2 LEU 42 3HD2 LEU 42 2.012 -6.054 -10.113 295 H GLY 43 H GLY 43 6.021 -9.302 -12.782 296 1HA GLY 43 1HA GLY 43 6.797 -10.639 -10.366 297 2HA GLY 43 2HA GLY 43 7.181 -11.259 -11.977 298 H THR 44 H THR 44 8.806 -9.089 -12.851 299 HA THR 44 HA THR 44 11.416 -10.112 -12.030 300 HB THR 44 HB THR 44 10.741 -7.578 -13.604 301 HG1 THR 44 HG1 THR 44 11.899 -9.256 -15.104 302 1HG2 THR 44 1HG2 THR 44 13.104 -7.604 -14.421 303 2HG2 THR 44 2HG2 THR 44 13.032 -7.274 -12.678 304 3HG2 THR 44 3HG2 THR 44 13.507 -8.891 -13.257 305 H VAL 45 H VAL 45 9.827 -6.974 -11.402 306 HA VAL 45 HA VAL 45 11.898 -5.781 -9.744 307 HB VAL 45 HB VAL 45 9.075 -5.117 -10.374 308 1HG1 VAL 45 1HG1 VAL 45 8.745 -3.491 -8.511 309 2HG1 VAL 45 2HG1 VAL 45 8.824 -5.140 -7.880 310 3HG1 VAL 45 3HG1 VAL 45 10.230 -4.065 -7.709 311 1HG2 VAL 45 1HG2 VAL 45 11.549 -3.327 -9.900 312 2HG2 VAL 45 2HG2 VAL 45 10.977 -3.913 -11.479 313 3HG2 VAL 45 3HG2 VAL 45 9.977 -2.791 -10.547 314 H MET 46 H MET 46 9.196 -7.944 -9.047 315 HA MET 46 HA MET 46 9.205 -7.883 -6.128 316 1HB MET 46 1HB MET 46 8.406 -10.477 -6.612 317 2HB MET 46 2HB MET 46 8.129 -9.783 -8.199 318 1HG MET 46 1HG MET 46 6.194 -8.791 -7.511 319 2HG MET 46 2HG MET 46 7.018 -7.954 -6.185 320 1HE MET 46 1HE MET 46 7.054 -8.681 -3.691 321 2HE MET 46 2HE MET 46 6.742 -10.352 -3.136 322 3HE MET 46 3HE MET 46 8.171 -10.003 -4.152 323 NH1 ARG 47 NH1 ARG 47 13.147 -11.937 -13.242 324 NH2 ARG 47 NH2 ARG 47 11.437 -13.262 -13.941 325 H ARG 47 H ARG 47 10.942 -9.890 -8.495 326 HA ARG 47 HA ARG 47 12.324 -11.792 -6.850 327 1HB ARG 47 1HB ARG 47 13.616 -10.380 -9.254 328 2HB ARG 47 2HB ARG 47 14.047 -11.941 -8.567 329 1HG ARG 47 1HG ARG 47 11.366 -12.408 -9.107 330 2HG ARG 47 2HG ARG 47 11.741 -11.236 -10.371 331 1HD ARG 47 1HD ARG 47 13.899 -12.801 -10.816 332 2HD ARG 47 2HD ARG 47 12.972 -14.002 -9.929 333 HE ARG 47 HE ARG 47 11.317 -14.123 -11.705 334 1HH1 ARG 47 1HH1 ARG 47 13.754 -11.644 -12.468 335 2HH1 ARG 47 2HH1 ARG 47 13.171 -11.591 -14.208 336 1HH2 ARG 47 1HH2 ARG 47 10.740 -13.977 -13.704 337 2HH2 ARG 47 2HH2 ARG 47 11.581 -12.823 -14.857 338 H MET 48 H MET 48 12.944 -8.363 -7.387 339 HA MET 48 HA MET 48 15.429 -8.286 -5.661 340 1HB MET 48 1HB MET 48 14.922 -5.648 -6.024 341 2HB MET 48 2HB MET 48 13.954 -6.251 -7.357 342 1HG MET 48 1HG MET 48 15.789 -6.773 -8.654 343 2HG MET 48 2HG MET 48 16.697 -7.458 -7.296 344 1HE MET 48 1HE MET 48 14.994 -3.819 -7.895 345 2HE MET 48 2HE MET 48 16.455 -2.910 -8.377 346 3HE MET 48 3HE MET 48 15.848 -4.236 -9.413 347 H LEU 49 H LEU 49 14.139 -9.315 -3.923 348 HA LEU 49 HA LEU 49 13.361 -7.275 -1.885 349 1HB LEU 49 1HB LEU 49 11.138 -8.721 -1.410 350 2HB LEU 49 2HB LEU 49 11.222 -9.055 -3.126 351 HG LEU 49 HG LEU 49 11.089 -6.619 -3.667 352 1HD1 LEU 49 1HD1 LEU 49 10.793 -6.102 -0.642 353 2HD1 LEU 49 2HD1 LEU 49 12.268 -5.775 -1.570 354 3HD1 LEU 49 3HD1 LEU 49 10.771 -4.885 -1.943 355 1HD2 LEU 49 1HD2 LEU 49 8.733 -6.239 -3.068 356 2HD2 LEU 49 2HD2 LEU 49 8.934 -7.989 -3.328 357 3HD2 LEU 49 3HD2 LEU 49 8.843 -7.351 -1.680 358 H GLY 50 H GLY 50 13.021 -10.741 -2.708 359 1HA GLY 50 1HA GLY 50 13.648 -11.754 0.012 360 2HA GLY 50 2HA GLY 50 15.094 -11.828 -1.005 361 H GLN 51 H GLN 51 11.665 -12.306 -1.840 362 HA GLN 51 HA GLN 51 11.957 -15.291 -2.192 363 1HB GLN 51 1HB GLN 51 9.422 -14.647 -3.166 364 2HB GLN 51 2HB GLN 51 9.694 -13.347 -2.021 365 1HG GLN 51 1HG GLN 51 10.011 -16.316 -1.276 366 2HG GLN 51 2HG GLN 51 10.077 -14.963 -0.169 367 1HE2 GLN 51 1HE2 GLN 51 6.610 -15.733 0.441 368 2HE2 GLN 51 2HE2 GLN 51 8.328 -15.657 1.082 369 H ASN 52 H ASN 52 10.386 -15.778 -4.363 370 HA ASN 52 HA ASN 52 11.370 -14.205 -6.732 371 1HB ASN 52 1HB ASN 52 13.063 -16.097 -6.162 372 2HB ASN 52 2HB ASN 52 11.862 -17.242 -6.719 373 1HD2 ASN 52 1HD2 ASN 52 14.270 -16.183 -9.523 374 2HD2 ASN 52 2HD2 ASN 52 14.430 -16.904 -7.843 375 HA PRO 53 HA PRO 53 6.732 -15.366 -7.222 376 1HB PRO 53 1HB PRO 53 5.841 -13.506 -8.414 377 2HB PRO 53 2HB PRO 53 7.250 -13.414 -9.480 378 1HG PRO 53 1HG PRO 53 7.815 -11.629 -8.093 379 2HG PRO 53 2HG PRO 53 6.988 -12.279 -6.658 380 1HD PRO 53 1HD PRO 53 9.170 -12.987 -6.035 381 2HD PRO 53 2HD PRO 53 9.795 -12.843 -7.704 382 H THR 54 H THR 54 5.643 -16.330 -9.084 383 HA THR 54 HA THR 54 7.502 -17.668 -11.120 384 HB THR 54 HB THR 54 5.905 -18.958 -9.119 385 HG1 THR 54 HG1 THR 54 6.842 -20.776 -10.126 386 1HG2 THR 54 1HG2 THR 54 4.577 -20.583 -10.427 387 2HG2 THR 54 2HG2 THR 54 3.948 -18.941 -10.695 388 3HG2 THR 54 3HG2 THR 54 4.944 -19.729 -11.945 389 H LYS 55 H LYS 55 6.217 -18.505 -13.022 390 HA LYS 55 HA LYS 55 5.117 -16.235 -14.456 391 1HB LYS 55 1HB LYS 55 4.311 -18.834 -15.649 392 2HB LYS 55 2HB LYS 55 5.985 -18.871 -15.134 393 1HG LYS 55 1HG LYS 55 5.523 -18.192 -17.556 394 2HG LYS 55 2HG LYS 55 4.856 -16.678 -16.972 395 1HD LYS 55 1HD LYS 55 7.222 -16.339 -17.670 396 2HD LYS 55 2HD LYS 55 7.060 -16.071 -15.941 397 1HE LYS 55 1HE LYS 55 9.050 -17.329 -16.104 398 2HE LYS 55 2HE LYS 55 7.872 -18.533 -15.589 399 1HZ LYS 55 1HZ LYS 55 7.758 -18.680 -18.316 400 2HZ LYS 55 2HZ LYS 55 8.651 -19.677 -17.348 401 3HZ LYS 55 3HZ LYS 55 9.358 -18.363 -18.057 402 H GLU 56 H GLU 56 3.530 -19.181 -13.197 403 HA GLU 56 HA GLU 56 0.782 -18.309 -13.940 404 1HB GLU 56 1HB GLU 56 0.134 -20.371 -12.461 405 2HB GLU 56 2HB GLU 56 1.853 -20.705 -12.378 406 1HG GLU 56 1HG GLU 56 1.183 -20.269 -15.190 407 2HG GLU 56 2HG GLU 56 -0.043 -21.326 -14.511 408 H GLU 57 H GLU 57 2.825 -18.292 -11.070 409 HA GLU 57 HA GLU 57 0.811 -17.780 -9.006 410 1HB GLU 57 1HB GLU 57 2.590 -17.149 -7.509 411 2HB GLU 57 2HB GLU 57 3.699 -16.829 -8.825 412 1HG GLU 57 1HG GLU 57 2.837 -19.630 -9.039 413 2HG GLU 57 2HG GLU 57 4.460 -18.989 -8.815 414 H LEU 58 H LEU 58 2.567 -15.712 -11.247 415 HA LEU 58 HA LEU 58 2.131 -13.114 -10.056 416 1HB LEU 58 1HB LEU 58 2.863 -14.137 -12.792 417 2HB LEU 58 2HB LEU 58 2.195 -12.519 -12.747 418 HG LEU 58 HG LEU 58 4.010 -11.660 -11.429 419 1HD1 LEU 58 1HD1 LEU 58 5.771 -13.087 -10.314 420 2HD1 LEU 58 2HD1 LEU 58 4.167 -13.396 -9.632 421 3HD1 LEU 58 3HD1 LEU 58 4.880 -14.560 -10.774 422 1HD2 LEU 58 1HD2 LEU 58 5.239 -13.767 -13.325 423 2HD2 LEU 58 2HD2 LEU 58 4.659 -12.148 -13.792 424 3HD2 LEU 58 3HD2 LEU 58 6.054 -12.307 -12.709 425 H ASP 59 H ASP 59 0.128 -15.153 -12.115 426 HA ASP 59 HA ASP 59 -1.919 -13.280 -12.948 427 1HB ASP 59 1HB ASP 59 -1.642 -15.581 -13.930 428 2HB ASP 59 2HB ASP 59 -2.292 -16.289 -12.470 429 H ALA 60 H ALA 60 -1.463 -15.101 -9.972 430 HA ALA 60 HA ALA 60 -4.117 -14.530 -8.770 431 1HB ALA 60 1HB ALA 60 -3.152 -15.523 -6.701 432 2HB ALA 60 2HB ALA 60 -2.833 -16.541 -8.118 433 3HB ALA 60 3HB ALA 60 -1.528 -15.542 -7.429 434 H ILE 61 H ILE 61 -0.868 -13.135 -8.567 435 HA ILE 61 HA ILE 61 -1.228 -11.262 -6.344 436 HB ILE 61 HB ILE 61 0.796 -11.658 -8.473 437 1HG1 ILE 61 1HG1 ILE 61 0.666 -11.741 -5.599 438 2HG1 ILE 61 2HG1 ILE 61 2.021 -12.145 -6.631 439 1HG2 ILE 61 1HG2 ILE 61 1.840 -9.379 -8.325 440 2HG2 ILE 61 2HG2 ILE 61 0.240 -9.281 -9.058 441 3HG2 ILE 61 3HG2 ILE 61 0.462 -8.790 -7.362 442 1HD1 ILE 61 1HD1 ILE 61 1.532 -9.351 -5.440 443 2HD1 ILE 61 2HD1 ILE 61 2.781 -10.527 -4.980 444 3HD1 ILE 61 3HD1 ILE 61 2.843 -9.758 -6.582 445 H ILE 62 H ILE 62 -1.952 -11.163 -9.802 446 HA ILE 62 HA ILE 62 -2.807 -8.286 -9.829 447 HB ILE 62 HB ILE 62 -2.983 -10.437 -12.000 448 1HG1 ILE 62 1HG1 ILE 62 -0.703 -10.002 -12.020 449 2HG1 ILE 62 2HG1 ILE 62 -0.860 -8.459 -11.208 450 1HG2 ILE 62 1HG2 ILE 62 -3.548 -8.599 -13.614 451 2HG2 ILE 62 2HG2 ILE 62 -4.796 -8.732 -12.377 452 3HG2 ILE 62 3HG2 ILE 62 -3.601 -7.418 -12.281 453 1HD1 ILE 62 1HD1 ILE 62 -1.489 -7.284 -13.299 454 2HD1 ILE 62 2HD1 ILE 62 0.026 -8.185 -13.517 455 3HD1 ILE 62 3HD1 ILE 62 -1.487 -8.829 -14.195 456 H GLU 63 H GLU 63 -4.229 -11.500 -9.590 457 HA GLU 63 HA GLU 63 -6.996 -11.143 -9.998 458 1HB GLU 63 1HB GLU 63 -6.086 -12.675 -7.529 459 2HB GLU 63 2HB GLU 63 -5.639 -13.240 -9.127 460 1HG GLU 63 1HG GLU 63 -8.351 -12.941 -9.536 461 2HG GLU 63 2HG GLU 63 -7.601 -14.428 -8.982 462 H GLU 64 H GLU 64 -5.320 -10.601 -6.875 463 HA GLU 64 HA GLU 64 -7.570 -8.917 -5.789 464 1HB GLU 64 1HB GLU 64 -6.786 -9.420 -3.761 465 2HB GLU 64 2HB GLU 64 -5.745 -10.583 -4.559 466 1HG GLU 64 1HG GLU 64 -3.893 -8.807 -4.637 467 2HG GLU 64 2HG GLU 64 -4.950 -7.706 -3.770 468 H VAL 65 H VAL 65 -6.806 -6.802 -4.709 469 HA VAL 65 HA VAL 65 -6.336 -4.484 -5.126 470 HB VAL 65 HB VAL 65 -4.182 -5.129 -4.252 471 1HG1 VAL 65 1HG1 VAL 65 -3.625 -3.316 -6.688 472 2HG1 VAL 65 2HG1 VAL 65 -4.485 -2.774 -5.234 473 3HG1 VAL 65 3HG1 VAL 65 -2.791 -3.310 -5.114 474 1HG2 VAL 65 1HG2 VAL 65 -2.260 -5.942 -5.526 475 2HG2 VAL 65 2HG2 VAL 65 -3.626 -7.004 -5.946 476 3HG2 VAL 65 3HG2 VAL 65 -3.108 -5.749 -7.080 477 H ASP 66 H ASP 66 -7.833 -5.728 -7.080 478 HA ASP 66 HA ASP 66 -7.355 -3.947 -9.441 479 1HB ASP 66 1HB ASP 66 -7.556 -6.808 -10.351 480 2HB ASP 66 2HB ASP 66 -6.025 -6.354 -9.638 481 H GLU 67 H GLU 67 -9.327 -3.492 -8.037 482 HA GLU 67 HA GLU 67 -11.770 -5.191 -8.508 483 1HB GLU 67 1HB GLU 67 -11.948 -2.484 -7.169 484 2HB GLU 67 2HB GLU 67 -11.017 -3.728 -6.354 485 1HG GLU 67 1HG GLU 67 -13.401 -5.104 -7.010 486 2HG GLU 67 2HG GLU 67 -12.980 -4.443 -5.439 487 H ASP 68 H ASP 68 -10.384 -3.872 -10.786 488 HA ASP 68 HA ASP 68 -12.607 -2.028 -11.804 489 1HB ASP 68 1HB ASP 68 -10.046 -1.131 -11.399 490 2HB ASP 68 2HB ASP 68 -11.188 -0.444 -12.531 491 H GLY 69 H GLY 69 -10.152 -4.480 -12.571 492 1HA GLY 69 1HA GLY 69 -11.991 -5.848 -14.546 493 2HA GLY 69 2HA GLY 69 -10.421 -6.455 -14.002 494 H SER 70 H SER 70 -8.834 -6.398 -15.373 495 HA SER 70 HA SER 70 -8.935 -5.109 -18.049 496 1HB SER 70 1HB SER 70 -6.934 -3.528 -17.581 497 2HB SER 70 2HB SER 70 -8.540 -3.014 -17.056 498 HG SER 70 HG SER 70 -6.529 -3.036 -15.592 499 H GLY 71 H GLY 71 -6.617 -6.032 -15.469 500 1HA GLY 71 1HA GLY 71 -5.307 -8.098 -17.308 501 2HA GLY 71 2HA GLY 71 -5.164 -8.068 -15.545 502 H THR 72 H THR 72 -4.729 -5.184 -15.417 503 HA THR 72 HA THR 72 -1.757 -5.213 -15.667 504 HB THR 72 HB THR 72 -1.469 -3.174 -17.003 505 HG1 THR 72 HG1 THR 72 -3.522 -2.805 -18.350 506 1HG2 THR 72 1HG2 THR 72 -1.947 -3.997 -19.273 507 2HG2 THR 72 2HG2 THR 72 -1.342 -5.348 -18.288 508 3HG2 THR 72 3HG2 THR 72 -3.081 -5.223 -18.664 509 H ILE 73 H ILE 73 -1.163 -2.633 -15.171 510 HA ILE 73 HA ILE 73 -2.931 -1.586 -12.923 511 HB ILE 73 HB ILE 73 -0.016 -2.416 -12.504 512 1HG1 ILE 73 1HG1 ILE 73 -2.066 -4.116 -12.215 513 2HG1 ILE 73 2HG1 ILE 73 -0.743 -4.097 -11.069 514 1HG2 ILE 73 1HG2 ILE 73 -0.105 -1.375 -10.242 515 2HG2 ILE 73 2HG2 ILE 73 -0.419 -0.142 -11.472 516 3HG2 ILE 73 3HG2 ILE 73 -1.767 -0.804 -10.517 517 1HD1 ILE 73 1HD1 ILE 73 -3.471 -2.768 -10.572 518 2HD1 ILE 73 2HD1 ILE 73 -2.833 -4.249 -9.827 519 3HD1 ILE 73 3HD1 ILE 73 -2.075 -2.681 -9.462 520 H ASP 74 H ASP 74 -3.233 -0.172 -14.837 521 HA ASP 74 HA ASP 74 -1.208 1.543 -16.035 522 1HB ASP 74 1HB ASP 74 -2.892 2.680 -17.079 523 2HB ASP 74 2HB ASP 74 -3.839 2.885 -15.624 524 H PHE 75 H PHE 75 -1.059 3.934 -15.615 525 HA PHE 75 HA PHE 75 -0.006 4.483 -12.959 526 1HB PHE 75 1HB PHE 75 0.561 5.697 -15.184 527 2HB PHE 75 2HB PHE 75 -0.893 6.633 -14.971 528 HD1 PHE 75 HD1 PHE 75 2.601 6.490 -14.229 529 HD2 PHE 75 HD2 PHE 75 -1.114 7.890 -12.568 530 HE1 PHE 75 HE1 PHE 75 3.825 8.074 -12.799 531 HE2 PHE 75 HE2 PHE 75 0.130 9.473 -11.150 532 HZ PHE 75 HZ PHE 75 2.595 9.571 -11.264 533 H GLU 76 H GLU 76 -3.163 4.963 -14.429 534 HA GLU 76 HA GLU 76 -4.409 6.866 -12.675 535 1HB GLU 76 1HB GLU 76 -6.288 4.733 -13.481 536 2HB GLU 76 2HB GLU 76 -6.340 6.465 -13.736 537 1HG GLU 76 1HG GLU 76 -4.312 5.024 -15.442 538 2HG GLU 76 2HG GLU 76 -5.977 4.555 -15.716 539 H GLU 77 H GLU 77 -4.909 3.331 -12.500 540 HA GLU 77 HA GLU 77 -6.008 3.368 -9.756 541 1HB GLU 77 1HB GLU 77 -6.676 1.290 -10.173 542 2HB GLU 77 2HB GLU 77 -6.130 1.556 -11.813 543 1HG GLU 77 1HG GLU 77 -3.818 0.555 -11.061 544 2HG GLU 77 2HG GLU 77 -4.632 0.048 -9.585 545 H PHE 78 H PHE 78 -2.795 3.095 -11.075 546 HA PHE 78 HA PHE 78 -1.355 1.780 -8.957 547 1HB PHE 78 1HB PHE 78 -0.299 4.112 -10.676 548 2HB PHE 78 2HB PHE 78 -0.404 2.462 -11.236 549 HD1 PHE 78 HD1 PHE 78 1.404 0.900 -10.699 550 HD2 PHE 78 HD2 PHE 78 1.209 4.668 -8.632 551 HE1 PHE 78 HE1 PHE 78 3.645 0.512 -9.756 552 HE2 PHE 78 HE2 PHE 78 3.447 4.260 -7.695 553 HZ PHE 78 HZ PHE 78 4.670 2.187 -8.255 554 H LEU 79 H LEU 79 -2.177 5.220 -9.375 555 HA LEU 79 HA LEU 79 -0.827 6.242 -6.978 556 1HB LEU 79 1HB LEU 79 -2.420 8.256 -7.264 557 2HB LEU 79 2HB LEU 79 -3.143 7.419 -8.620 558 HG LEU 79 HG LEU 79 -1.010 7.473 -9.891 559 1HD1 LEU 79 1HD1 LEU 79 0.244 8.987 -7.516 560 2HD1 LEU 79 2HD1 LEU 79 0.551 7.280 -7.886 561 3HD1 LEU 79 3HD1 LEU 79 1.044 8.540 -9.044 562 1HD2 LEU 79 1HD2 LEU 79 -0.882 9.882 -10.361 563 2HD2 LEU 79 2HD2 LEU 79 -2.579 9.517 -9.960 564 3HD2 LEU 79 3HD2 LEU 79 -1.539 10.294 -8.757 565 H VAL 80 H VAL 80 -4.086 5.028 -7.621 566 HA VAL 80 HA VAL 80 -5.338 5.744 -5.045 567 HB VAL 80 HB VAL 80 -6.162 3.530 -6.994 568 1HG1 VAL 80 1HG1 VAL 80 -8.422 3.682 -5.926 569 2HG1 VAL 80 2HG1 VAL 80 -7.205 3.168 -4.750 570 3HG1 VAL 80 3HG1 VAL 80 -7.798 4.844 -4.727 571 1HG2 VAL 80 1HG2 VAL 80 -7.260 6.411 -6.791 572 2HG2 VAL 80 2HG2 VAL 80 -6.241 5.793 -8.111 573 3HG2 VAL 80 3HG2 VAL 80 -7.862 5.126 -7.866 574 H MET 81 H MET 81 -3.323 3.113 -6.211 575 HA MET 81 HA MET 81 -3.682 1.099 -4.151 576 1HB MET 81 1HB MET 81 -2.180 1.113 -6.397 577 2HB MET 81 2HB MET 81 -0.905 1.565 -5.281 578 1HG MET 81 1HG MET 81 -2.639 -0.923 -4.758 579 2HG MET 81 2HG MET 81 -1.077 -0.510 -4.031 580 1HE MET 81 1HE MET 81 1.214 -0.901 -5.008 581 2HE MET 81 2HE MET 81 1.571 -1.228 -6.730 582 3HE MET 81 3HE MET 81 0.957 0.377 -6.238 583 H MET 82 H MET 82 -1.190 3.658 -4.375 584 HA MET 82 HA MET 82 -0.020 3.165 -1.719 585 1HB MET 82 1HB MET 82 0.889 5.657 -2.173 586 2HB MET 82 2HB MET 82 0.280 5.368 -3.792 587 1HG MET 82 1HG MET 82 2.369 4.482 -4.171 588 2HG MET 82 2HG MET 82 1.712 3.022 -3.421 589 1HE MET 82 1HE MET 82 4.274 2.521 -3.225 590 2HE MET 82 2HE MET 82 5.272 3.061 -1.842 591 3HE MET 82 3HE MET 82 5.129 4.095 -3.294 592 H VAL 83 H VAL 83 -2.589 5.233 -2.942 593 HA VAL 83 HA VAL 83 -2.820 7.066 -0.655 594 HB VAL 83 HB VAL 83 -4.502 6.518 -3.091 595 1HG1 VAL 83 1HG1 VAL 83 -6.346 8.023 -2.323 596 2HG1 VAL 83 2HG1 VAL 83 -6.274 6.566 -1.323 597 3HG1 VAL 83 3HG1 VAL 83 -5.633 8.100 -0.691 598 1HG2 VAL 83 1HG2 VAL 83 -3.471 9.152 -1.842 599 2HG2 VAL 83 2HG2 VAL 83 -2.726 8.288 -3.207 600 3HG2 VAL 83 3HG2 VAL 83 -4.336 8.997 -3.394 601 NH1 ARG 84 NH1 ARG 84 -8.956 -1.186 -1.149 602 NH2 ARG 84 NH2 ARG 84 -7.474 -2.780 -1.801 603 H ARG 84 H ARG 84 -4.101 3.889 -1.417 604 HA ARG 84 HA ARG 84 -6.338 3.753 0.495 605 1HB ARG 84 1HB ARG 84 -4.877 1.820 -1.269 606 2HB ARG 84 2HB ARG 84 -5.476 1.106 0.222 607 1HG ARG 84 1HG ARG 84 -7.395 2.835 -1.397 608 2HG ARG 84 2HG ARG 84 -7.762 1.516 -0.282 609 1HD ARG 84 1HD ARG 84 -6.385 1.144 -3.020 610 2HD ARG 84 2HD ARG 84 -8.108 0.889 -2.735 611 HE ARG 84 HE ARG 84 -5.852 -0.865 -1.681 612 1HH1 ARG 84 1HH1 ARG 84 -9.140 -0.191 -0.980 613 2HH1 ARG 84 2HH1 ARG 84 -9.606 -1.966 -0.999 614 1HH2 ARG 84 1HH2 ARG 84 -6.541 -2.998 -2.167 615 2HH2 ARG 84 2HH2 ARG 84 -8.218 -3.450 -1.576 616 H GLN 85 H GLN 85 -2.952 2.607 0.640 617 HA GLN 85 HA GLN 85 -3.145 1.507 3.388 618 1HB GLN 85 1HB GLN 85 -0.626 1.288 3.215 619 2HB GLN 85 2HB GLN 85 -0.675 2.132 1.678 620 1HG GLN 85 1HG GLN 85 -1.348 0.284 0.510 621 2HG GLN 85 2HG GLN 85 -2.553 -0.175 1.693 622 1HE2 GLN 85 1HE2 GLN 85 1.276 -1.516 2.646 623 2HE2 GLN 85 2HE2 GLN 85 0.959 0.254 2.283 624 H MET 86 H MET 86 -2.107 4.550 1.937 625 HA MET 86 HA MET 86 -0.706 5.729 4.231 626 1HB MET 86 1HB MET 86 -0.199 7.370 2.788 627 2HB MET 86 2HB MET 86 -1.042 6.438 1.566 628 1HG MET 86 1HG MET 86 -3.090 7.689 1.745 629 2HG MET 86 2HG MET 86 -2.621 8.434 3.280 630 1HE MET 86 1HE MET 86 -3.638 9.881 0.400 631 2HE MET 86 2HE MET 86 -2.297 10.511 -0.602 632 3HE MET 86 3HE MET 86 -2.650 8.759 -0.587 633 H LYS 87 H LYS 87 -4.055 5.843 3.074 634 HA LYS 87 HA LYS 87 -5.033 7.859 5.045 635 1HB LYS 87 1HB LYS 87 -7.376 6.865 4.288 636 2HB LYS 87 2HB LYS 87 -6.447 6.002 3.071 637 1HG LYS 87 1HG LYS 87 -6.433 9.059 3.389 638 2HG LYS 87 2HG LYS 87 -5.543 8.172 2.162 639 1HD LYS 87 1HD LYS 87 -7.651 7.415 1.098 640 2HD LYS 87 2HD LYS 87 -8.594 8.017 2.455 641 1HE LYS 87 1HE LYS 87 -7.574 10.416 1.801 642 2HE LYS 87 2HE LYS 87 -7.226 9.652 0.245 643 1HZ LYS 87 1HZ LYS 87 -9.829 10.239 1.459 644 2HZ LYS 87 2HZ LYS 87 -9.735 8.909 0.484 645 3HZ LYS 87 3HZ LYS 87 -9.337 10.398 -0.110 646 H GLU 88 H GLU 88 -5.255 7.460 7.104 647 HA GLU 88 HA GLU 88 -5.476 6.327 9.215 648 1HB GLU 88 1HB GLU 88 -7.639 4.594 7.992 649 2HB GLU 88 2HB GLU 88 -7.570 5.347 9.574 650 1HG GLU 88 1HG GLU 88 -9.253 6.566 8.397 651 2HG GLU 88 2HG GLU 88 -8.351 6.587 6.891 652 H ASP 89 H ASP 89 -3.381 5.413 7.751 653 HA ASP 89 HA ASP 89 -1.840 3.583 7.465 654 1HB ASP 89 1HB ASP 89 -1.364 2.504 9.419 655 2HB ASP 89 2HB ASP 89 -3.004 1.951 9.669 656 H ALA 90 H ALA 90 -2.279 0.840 8.091 657 HA ALA 90 HA ALA 90 -4.408 -0.009 6.043 658 1HB ALA 90 1HB ALA 90 -2.885 -1.879 5.354 659 2HB ALA 90 2HB ALA 90 -2.109 -0.306 5.085 660 3HB ALA 90 3HB ALA 90 -1.625 -1.306 6.476 Start of MODEL 33 Raw file had 660 H/Q atoms Start of MODEL 33 1 1H ALA 1 1H ALA 1 -19.265 10.966 -22.180 2 2H ALA 1 2H ALA 1 -19.016 11.396 -20.573 3 3H ALA 1 3H ALA 1 -20.208 12.167 -21.475 4 HA ALA 1 HA ALA 1 -18.198 12.703 -23.036 5 1HB ALA 1 1HB ALA 1 -18.311 14.589 -20.703 6 2HB ALA 1 2HB ALA 1 -19.898 14.164 -21.373 7 3HB ALA 1 3HB ALA 1 -18.656 14.894 -22.422 8 H SER 2 H SER 2 -17.744 12.931 -19.488 9 HA SER 2 HA SER 2 -14.992 11.632 -19.679 10 1HB SER 2 1HB SER 2 -14.833 14.213 -19.894 11 2HB SER 2 2HB SER 2 -15.299 14.289 -18.193 12 HG SER 2 HG SER 2 -12.944 13.690 -19.290 13 H MET 3 H MET 3 -15.067 10.034 -18.286 14 HA MET 3 HA MET 3 -17.004 9.721 -16.096 15 1HB MET 3 1HB MET 3 -14.690 8.124 -17.176 16 2HB MET 3 2HB MET 3 -15.115 7.808 -15.503 17 1HG MET 3 1HG MET 3 -17.123 7.667 -17.846 18 2HG MET 3 2HG MET 3 -16.256 6.281 -17.173 19 1HE MET 3 1HE MET 3 -19.502 5.387 -16.333 20 2HE MET 3 2HE MET 3 -19.103 6.508 -17.669 21 3HE MET 3 3HE MET 3 -20.232 7.023 -16.382 22 H THR 4 H THR 4 -16.101 9.081 -13.850 23 HA THR 4 HA THR 4 -13.819 10.626 -12.750 24 HB THR 4 HB THR 4 -15.640 12.354 -13.345 25 HG1 THR 4 HG1 THR 4 -14.628 13.565 -11.995 26 1HG2 THR 4 1HG2 THR 4 -17.479 11.129 -11.811 27 2HG2 THR 4 2HG2 THR 4 -17.379 12.903 -11.869 28 3HG2 THR 4 3HG2 THR 4 -16.672 12.012 -10.497 29 H ASP 5 H ASP 5 -14.410 7.986 -12.587 30 HA ASP 5 HA ASP 5 -15.962 7.314 -10.098 31 1HB ASP 5 1HB ASP 5 -15.760 5.013 -10.679 32 2HB ASP 5 2HB ASP 5 -14.346 5.268 -11.675 33 H GLN 6 H GLN 6 -14.076 5.036 -9.559 34 HA GLN 6 HA GLN 6 -12.572 5.946 -7.314 35 1HB GLN 6 1HB GLN 6 -11.832 3.814 -7.118 36 2HB GLN 6 2HB GLN 6 -12.986 3.493 -8.398 37 1HG GLN 6 1HG GLN 6 -10.056 4.149 -9.039 38 2HG GLN 6 2HG GLN 6 -11.250 3.459 -10.117 39 1HE2 GLN 6 1HE2 GLN 6 -8.988 0.700 -8.776 40 2HE2 GLN 6 2HE2 GLN 6 -8.829 2.213 -9.802 41 H GLN 7 H GLN 7 -11.694 5.870 -10.739 42 HA GLN 7 HA GLN 7 -8.829 6.535 -10.513 43 1HB GLN 7 1HB GLN 7 -9.386 7.534 -12.990 44 2HB GLN 7 2HB GLN 7 -10.863 6.609 -12.761 45 1HG GLN 7 1HG GLN 7 -8.061 5.603 -13.193 46 2HG GLN 7 2HG GLN 7 -9.017 4.663 -12.058 47 1HE2 GLN 7 1HE2 GLN 7 -11.541 3.970 -14.789 48 2HE2 GLN 7 2HE2 GLN 7 -11.538 4.638 -13.080 49 H ALA 8 H ALA 8 -11.789 8.466 -10.992 50 HA ALA 8 HA ALA 8 -10.757 11.103 -11.344 51 1HB ALA 8 1HB ALA 8 -12.914 11.931 -10.417 52 2HB ALA 8 2HB ALA 8 -13.169 10.563 -11.517 53 3HB ALA 8 3HB ALA 8 -13.287 10.322 -9.755 54 H GLU 9 H GLU 9 -10.903 9.143 -8.437 55 HA GLU 9 HA GLU 9 -10.582 11.203 -6.389 56 1HB GLU 9 1HB GLU 9 -9.875 8.209 -6.306 57 2HB GLU 9 2HB GLU 9 -9.637 9.283 -4.935 58 1HG GLU 9 1HG GLU 9 -12.371 8.726 -6.255 59 2HG GLU 9 2HG GLU 9 -12.122 9.848 -4.922 60 H ALA 10 H ALA 10 -8.202 9.172 -8.102 61 HA ALA 10 HA ALA 10 -5.827 10.100 -6.627 62 1HB ALA 10 1HB ALA 10 -4.528 8.899 -8.378 63 2HB ALA 10 2HB ALA 10 -5.873 7.908 -7.782 64 3HB ALA 10 3HB ALA 10 -5.989 8.701 -9.374 65 NH1 ARG 11 NH1 ARG 11 -7.439 13.929 -14.858 66 NH2 ARG 11 NH2 ARG 11 -9.594 13.998 -15.572 67 H ARG 11 H ARG 11 -7.531 11.198 -9.493 68 HA ARG 11 HA ARG 11 -5.386 12.929 -10.633 69 1HB ARG 11 1HB ARG 11 -8.250 13.533 -11.352 70 2HB ARG 11 2HB ARG 11 -6.823 13.378 -12.365 71 1HG ARG 11 1HG ARG 11 -6.993 10.763 -11.683 72 2HG ARG 11 2HG ARG 11 -8.686 11.178 -11.398 73 1HD ARG 11 1HD ARG 11 -7.122 11.484 -14.032 74 2HD ARG 11 2HD ARG 11 -8.485 10.405 -13.728 75 HE ARG 11 HE ARG 11 -9.954 12.529 -13.560 76 1HH1 ARG 11 1HH1 ARG 11 -10.545 13.618 -15.498 77 2HH1 ARG 11 2HH1 ARG 11 -9.283 14.762 -16.182 78 1HH2 ARG 11 1HH2 ARG 11 -6.729 13.452 -14.291 79 2HH2 ARG 11 2HH2 ARG 11 -7.295 14.741 -15.468 80 H ALA 12 H ALA 12 -8.293 13.424 -8.646 81 HA ALA 12 HA ALA 12 -8.189 16.385 -8.611 82 1HB ALA 12 1HB ALA 12 -9.968 16.234 -6.881 83 2HB ALA 12 2HB ALA 12 -10.324 15.179 -8.263 84 3HB ALA 12 3HB ALA 12 -9.725 14.476 -6.739 85 H PHE 13 H PHE 13 -6.884 13.796 -6.613 86 HA PHE 13 HA PHE 13 -6.083 15.496 -4.319 87 1HB PHE 13 1HB PHE 13 -5.454 12.598 -5.084 88 2HB PHE 13 2HB PHE 13 -6.626 13.162 -3.921 89 HD1 PHE 13 HD1 PHE 13 -4.155 11.178 -3.615 90 HD2 PHE 13 HD2 PHE 13 -4.714 15.319 -2.582 91 HE1 PHE 13 HE1 PHE 13 -2.407 10.997 -1.892 92 HE2 PHE 13 HE2 PHE 13 -2.962 15.118 -0.868 93 HZ PHE 13 HZ PHE 13 -1.805 12.963 -0.520 94 H LEU 14 H LEU 14 -4.463 14.026 -7.123 95 HA LEU 14 HA LEU 14 -1.775 15.283 -6.407 96 1HB LEU 14 1HB LEU 14 -0.741 13.783 -7.964 97 2HB LEU 14 2HB LEU 14 -2.244 13.416 -8.781 98 HG LEU 14 HG LEU 14 -2.937 12.369 -6.380 99 1HD1 LEU 14 1HD1 LEU 14 0.128 12.041 -6.319 100 2HD1 LEU 14 2HD1 LEU 14 -0.779 13.143 -5.267 101 3HD1 LEU 14 3HD1 LEU 14 -1.043 11.386 -5.146 102 1HD2 LEU 14 1HD2 LEU 14 -2.275 10.143 -7.193 103 2HD2 LEU 14 2HD2 LEU 14 -2.717 11.116 -8.618 104 3HD2 LEU 14 3HD2 LEU 14 -1.011 10.834 -8.241 105 H SER 15 H SER 15 -0.563 15.999 -8.475 106 HA SER 15 HA SER 15 -2.366 17.526 -10.423 107 1HB SER 15 1HB SER 15 -1.531 19.049 -8.567 108 2HB SER 15 2HB SER 15 -1.142 19.568 -10.209 109 HG SER 15 HG SER 15 0.539 19.509 -8.463 110 H GLU 16 H GLU 16 -0.179 18.748 -11.756 111 HA GLU 16 HA GLU 16 0.815 16.488 -13.450 112 1HB GLU 16 1HB GLU 16 1.665 19.368 -13.901 113 2HB GLU 16 2HB GLU 16 -0.014 18.932 -14.156 114 1HG GLU 16 1HG GLU 16 2.242 17.345 -15.520 115 2HG GLU 16 2HG GLU 16 0.542 17.388 -15.955 116 H GLU 17 H GLU 17 2.050 18.762 -11.079 117 HA GLU 17 HA GLU 17 4.950 18.291 -11.597 118 1HB GLU 17 1HB GLU 17 3.828 20.393 -10.499 119 2HB GLU 17 2HB GLU 17 3.894 19.489 -8.999 120 1HG GLU 17 1HG GLU 17 6.529 19.453 -10.387 121 2HG GLU 17 2HG GLU 17 6.144 19.874 -8.727 122 H MET 18 H MET 18 2.529 17.157 -9.260 123 HA MET 18 HA MET 18 4.357 15.413 -7.664 124 1HB MET 18 1HB MET 18 2.308 14.484 -6.624 125 2HB MET 18 2HB MET 18 1.295 15.267 -7.822 126 1HG MET 18 1HG MET 18 3.109 16.965 -6.017 127 2HG MET 18 2HG MET 18 1.670 17.468 -6.920 128 1HE MET 18 1HE MET 18 -0.731 17.419 -6.053 129 2HE MET 18 2HE MET 18 -0.937 17.423 -4.276 130 3HE MET 18 3HE MET 18 0.249 18.524 -5.039 131 H ILE 19 H ILE 19 2.221 15.102 -10.457 132 HA ILE 19 HA ILE 19 2.097 12.178 -10.642 133 HB ILE 19 HB ILE 19 1.361 14.448 -12.441 134 1HG1 ILE 19 1HG1 ILE 19 -0.175 11.817 -12.247 135 2HG1 ILE 19 2HG1 ILE 19 -0.784 13.445 -12.463 136 1HG2 ILE 19 1HG2 ILE 19 1.065 13.037 -14.492 137 2HG2 ILE 19 2HG2 ILE 19 2.771 13.133 -14.060 138 3HG2 ILE 19 3HG2 ILE 19 1.852 11.658 -13.684 139 1HD1 ILE 19 1HD1 ILE 19 -0.400 14.031 -10.084 140 2HD1 ILE 19 2HD1 ILE 19 -1.364 12.546 -10.216 141 3HD1 ILE 19 3HD1 ILE 19 0.361 12.443 -9.790 142 H ALA 20 H ALA 20 4.377 14.640 -11.737 143 HA ALA 20 HA ALA 20 6.006 13.208 -13.611 144 1HB ALA 20 1HB ALA 20 7.817 14.826 -13.052 145 2HB ALA 20 2HB ALA 20 6.247 15.638 -13.210 146 3HB ALA 20 3HB ALA 20 6.941 15.349 -11.594 147 H GLU 21 H GLU 21 6.143 13.249 -10.060 148 HA GLU 21 HA GLU 21 8.697 11.915 -9.648 149 1HB GLU 21 1HB GLU 21 7.667 11.266 -7.350 150 2HB GLU 21 2HB GLU 21 6.231 12.134 -7.853 151 1HG GLU 21 1HG GLU 21 7.389 14.268 -7.891 152 2HG GLU 21 2HG GLU 21 8.974 13.516 -7.916 153 H PHE 22 H PHE 22 5.373 10.682 -9.918 154 HA PHE 22 HA PHE 22 6.065 7.797 -9.596 155 1HB PHE 22 1HB PHE 22 3.473 9.127 -10.596 156 2HB PHE 22 2HB PHE 22 3.675 7.411 -10.375 157 HD1 PHE 22 HD1 PHE 22 2.994 6.439 -8.328 158 HD2 PHE 22 HD2 PHE 22 4.119 10.594 -8.347 159 HE1 PHE 22 HE1 PHE 22 2.525 6.588 -5.919 160 HE2 PHE 22 HE2 PHE 22 3.639 10.724 -5.937 161 HZ PHE 22 HZ PHE 22 2.892 8.713 -4.709 162 H LYS 23 H LYS 23 5.966 10.106 -12.201 163 HA LYS 23 HA LYS 23 5.383 8.475 -14.541 164 1HB LYS 23 1HB LYS 23 6.469 11.165 -14.058 165 2HB LYS 23 2HB LYS 23 7.404 10.381 -15.312 166 1HG LYS 23 1HG LYS 23 4.369 10.291 -15.556 167 2HG LYS 23 2HG LYS 23 5.597 10.241 -16.809 168 1HD LYS 23 1HD LYS 23 4.573 12.686 -15.281 169 2HD LYS 23 2HD LYS 23 6.168 12.739 -16.042 170 1HE LYS 23 1HE LYS 23 4.270 13.636 -17.519 171 2HE LYS 23 2HE LYS 23 5.237 12.366 -18.282 172 1HZ LYS 23 1HZ LYS 23 3.525 10.833 -18.036 173 2HZ LYS 23 2HZ LYS 23 2.676 12.217 -18.342 174 3HZ LYS 23 3HZ LYS 23 2.783 11.637 -16.799 175 H ALA 24 H ALA 24 8.534 9.366 -13.092 176 HA ALA 24 HA ALA 24 10.302 7.977 -14.897 177 1HB ALA 24 1HB ALA 24 12.001 8.092 -13.084 178 2HB ALA 24 2HB ALA 24 11.122 9.624 -13.240 179 3HB ALA 24 3HB ALA 24 10.748 8.517 -11.894 180 H ALA 25 H ALA 25 9.302 6.874 -11.636 181 HA ALA 25 HA ALA 25 10.449 4.233 -11.661 182 1HB ALA 25 1HB ALA 25 8.875 3.695 -9.811 183 2HB ALA 25 2HB ALA 25 9.598 5.300 -9.594 184 3HB ALA 25 3HB ALA 25 7.915 5.152 -10.161 185 H PHE 26 H PHE 26 7.458 5.450 -13.039 186 HA PHE 26 HA PHE 26 5.916 2.992 -13.345 187 1HB PHE 26 1HB PHE 26 4.665 4.959 -13.708 188 2HB PHE 26 2HB PHE 26 5.828 5.671 -14.794 189 HD1 PHE 26 HD1 PHE 26 4.556 2.118 -15.057 190 HD2 PHE 26 HD2 PHE 26 4.363 6.093 -16.692 191 HE1 PHE 26 HE1 PHE 26 3.103 1.312 -16.874 192 HE2 PHE 26 HE2 PHE 26 2.916 5.267 -18.505 193 HZ PHE 26 HZ PHE 26 2.244 2.890 -18.571 194 H ASP 27 H ASP 27 8.214 4.638 -15.519 195 HA ASP 27 HA ASP 27 8.149 2.649 -17.704 196 1HB ASP 27 1HB ASP 27 9.803 3.873 -18.797 197 2HB ASP 27 2HB ASP 27 10.634 4.326 -17.327 198 H MET 28 H MET 28 10.075 3.111 -14.782 199 HA MET 28 HA MET 28 12.206 1.226 -15.072 200 1HB MET 28 1HB MET 28 10.778 1.240 -12.391 201 2HB MET 28 2HB MET 28 11.458 2.749 -12.973 202 1HG MET 28 1HG MET 28 13.697 1.301 -13.345 203 2HG MET 28 2HG MET 28 13.271 1.930 -11.745 204 1HE MET 28 1HE MET 28 10.694 0.090 -10.978 205 2HE MET 28 2HE MET 28 11.494 -1.219 -10.059 206 3HE MET 28 3HE MET 28 12.005 0.478 -9.819 207 H PHE 29 H PHE 29 8.808 0.673 -14.223 208 HA PHE 29 HA PHE 29 9.097 -2.253 -13.715 209 1HB PHE 29 1HB PHE 29 6.593 -0.491 -14.024 210 2HB PHE 29 2HB PHE 29 6.515 -2.207 -13.730 211 HD1 PHE 29 HD1 PHE 29 9.405 -0.730 -12.076 212 HD2 PHE 29 HD2 PHE 29 5.166 -1.348 -11.649 213 HE1 PHE 29 HE1 PHE 29 9.566 -0.253 -9.667 214 HE2 PHE 29 HE2 PHE 29 5.352 -0.876 -9.241 215 HZ PHE 29 HZ PHE 29 7.544 -0.326 -8.247 216 H ASP 30 H ASP 30 7.884 -0.167 -16.328 217 HA ASP 30 HA ASP 30 6.662 -2.066 -18.085 218 1HB ASP 30 1HB ASP 30 8.185 0.487 -18.846 219 2HB ASP 30 2HB ASP 30 6.473 0.332 -18.523 220 H ALA 31 H ALA 31 9.968 -0.780 -18.563 221 HA ALA 31 HA ALA 31 12.050 -1.936 -19.005 222 1HB ALA 31 1HB ALA 31 12.129 -4.411 -19.240 223 2HB ALA 31 2HB ALA 31 11.251 -3.923 -17.777 224 3HB ALA 31 3HB ALA 31 10.352 -4.508 -19.201 225 H ASP 32 H ASP 32 9.181 -2.717 -20.960 226 HA ASP 32 HA ASP 32 10.805 -2.925 -23.509 227 1HB ASP 32 1HB ASP 32 9.079 -4.108 -24.490 228 2HB ASP 32 2HB ASP 32 8.913 -4.591 -22.818 229 H GLY 33 H GLY 33 10.708 -0.406 -22.246 230 1HA GLY 33 1HA GLY 33 10.800 1.806 -23.398 231 2HA GLY 33 2HA GLY 33 9.575 1.237 -24.508 232 H GLY 34 H GLY 34 7.382 1.334 -23.892 233 1HA GLY 34 1HA GLY 34 6.511 3.617 -22.245 234 2HA GLY 34 2HA GLY 34 6.324 2.136 -21.295 235 H GLY 35 H GLY 35 4.176 1.940 -21.265 236 1HA GLY 35 1HA GLY 35 1.998 2.317 -22.950 237 2HA GLY 35 2HA GLY 35 2.818 1.013 -23.819 238 H ASP 36 H ASP 36 2.095 1.740 -20.397 239 HA ASP 36 HA ASP 36 0.820 0.535 -18.742 240 1HB ASP 36 1HB ASP 36 -0.789 -1.091 -19.307 241 2HB ASP 36 2HB ASP 36 0.104 -1.685 -20.687 242 H ILE 37 H ILE 37 0.824 -1.821 -17.822 243 HA ILE 37 HA ILE 37 3.475 -3.244 -18.283 244 HB ILE 37 HB ILE 37 2.674 -2.928 -15.411 245 1HG1 ILE 37 1HG1 ILE 37 4.369 -0.723 -16.735 246 2HG1 ILE 37 2HG1 ILE 37 2.673 -0.527 -16.337 247 1HG2 ILE 37 1HG2 ILE 37 5.081 -3.255 -14.992 248 2HG2 ILE 37 2HG2 ILE 37 4.492 -4.502 -16.101 249 3HG2 ILE 37 3HG2 ILE 37 5.446 -3.138 -16.731 250 1HD1 ILE 37 1HD1 ILE 37 4.901 -1.021 -14.271 251 2HD1 ILE 37 2HD1 ILE 37 4.002 0.484 -14.559 252 3HD1 ILE 37 3HD1 ILE 37 3.161 -0.931 -13.886 253 H SER 38 H SER 38 3.122 -5.273 -18.647 254 HA SER 38 HA SER 38 0.419 -6.506 -18.134 255 1HB SER 38 1HB SER 38 0.976 -8.151 -19.711 256 2HB SER 38 2HB SER 38 2.714 -8.024 -19.428 257 HG SER 38 HG SER 38 1.463 -6.928 -21.315 258 H THR 39 H THR 39 1.251 -9.178 -17.886 259 HA THR 39 HA THR 39 1.847 -9.333 -14.937 260 HB THR 39 HB THR 39 1.593 -11.965 -15.642 261 HG1 THR 39 HG1 THR 39 0.097 -12.155 -17.198 262 1HG2 THR 39 1HG2 THR 39 -0.743 -11.887 -14.889 263 2HG2 THR 39 2HG2 THR 39 0.216 -10.781 -13.879 264 3HG2 THR 39 3HG2 THR 39 -0.838 -10.132 -15.162 265 H LYS 40 H LYS 40 3.173 -10.672 -17.982 266 HA LYS 40 HA LYS 40 5.513 -11.974 -16.896 267 1HB LYS 40 1HB LYS 40 5.312 -10.709 -19.677 268 2HB LYS 40 2HB LYS 40 4.524 -12.212 -19.275 269 1HG LYS 40 1HG LYS 40 6.756 -13.273 -18.906 270 2HG LYS 40 2HG LYS 40 6.653 -12.550 -20.489 271 1HD LYS 40 1HD LYS 40 8.286 -10.865 -20.003 272 2HD LYS 40 2HD LYS 40 7.905 -10.895 -18.306 273 1HE LYS 40 1HE LYS 40 9.354 -12.564 -17.750 274 2HE LYS 40 2HE LYS 40 9.143 -13.467 -19.244 275 1HZ LYS 40 1HZ LYS 40 11.173 -12.628 -19.699 276 2HZ LYS 40 2HZ LYS 40 11.073 -11.417 -18.579 277 3HZ LYS 40 3HZ LYS 40 10.417 -11.210 -20.081 278 H GLU 41 H GLU 41 4.853 -8.629 -17.784 279 HA GLU 41 HA GLU 41 7.670 -7.666 -17.686 280 1HB GLU 41 1HB GLU 41 6.751 -5.399 -17.971 281 2HB GLU 41 2HB GLU 41 5.123 -5.981 -17.699 282 1HG GLU 41 1HG GLU 41 6.791 -7.059 -20.044 283 2HG GLU 41 2HG GLU 41 5.060 -7.166 -19.810 284 H LEU 42 H LEU 42 4.804 -6.793 -15.721 285 HA LEU 42 HA LEU 42 6.104 -5.273 -13.662 286 1HB LEU 42 1HB LEU 42 3.785 -7.038 -12.823 287 2HB LEU 42 2HB LEU 42 3.493 -5.927 -14.144 288 HG LEU 42 HG LEU 42 4.535 -4.095 -12.457 289 1HD1 LEU 42 1HD1 LEU 42 3.406 -6.135 -10.441 290 2HD1 LEU 42 2HD1 LEU 42 5.136 -5.872 -10.708 291 3HD1 LEU 42 3HD1 LEU 42 4.126 -4.545 -10.080 292 1HD2 LEU 42 1HD2 LEU 42 2.255 -3.497 -11.720 293 2HD2 LEU 42 2HD2 LEU 42 2.149 -4.133 -13.381 294 3HD2 LEU 42 3HD2 LEU 42 1.669 -5.155 -12.014 295 H GLY 43 H GLY 43 5.332 -8.758 -13.704 296 1HA GLY 43 1HA GLY 43 6.147 -9.642 -11.140 297 2HA GLY 43 2HA GLY 43 6.364 -10.640 -12.582 298 H THR 44 H THR 44 8.211 -9.084 -13.988 299 HA THR 44 HA THR 44 10.697 -10.196 -13.035 300 HB THR 44 HB THR 44 9.922 -8.455 -15.279 301 HG1 THR 44 HG1 THR 44 11.024 -9.905 -16.296 302 1HG2 THR 44 1HG2 THR 44 12.212 -7.613 -15.827 303 2HG2 THR 44 2HG2 THR 44 11.566 -6.818 -14.376 304 3HG2 THR 44 3HG2 THR 44 12.792 -8.101 -14.215 305 H VAL 45 H VAL 45 9.494 -6.844 -12.859 306 HA VAL 45 HA VAL 45 11.796 -5.604 -11.594 307 HB VAL 45 HB VAL 45 9.116 -4.755 -12.293 308 1HG1 VAL 45 1HG1 VAL 45 8.660 -3.067 -10.515 309 2HG1 VAL 45 2HG1 VAL 45 8.585 -4.700 -9.843 310 3HG1 VAL 45 3HG1 VAL 45 10.014 -3.688 -9.536 311 1HG2 VAL 45 1HG2 VAL 45 11.609 -3.072 -11.576 312 2HG2 VAL 45 2HG2 VAL 45 11.191 -3.674 -13.198 313 3HG2 VAL 45 3HG2 VAL 45 10.148 -2.481 -12.411 314 H MET 46 H MET 46 8.996 -7.339 -10.302 315 HA MET 46 HA MET 46 9.261 -6.710 -7.469 316 1HB MET 46 1HB MET 46 8.035 -9.189 -8.810 317 2HB MET 46 2HB MET 46 8.007 -8.916 -7.077 318 1HG MET 46 1HG MET 46 6.955 -6.599 -8.700 319 2HG MET 46 2HG MET 46 6.011 -8.095 -8.804 320 1HE MET 46 1HE MET 46 6.892 -4.962 -6.726 321 2HE MET 46 2HE MET 46 6.668 -5.463 -5.025 322 3HE MET 46 3HE MET 46 8.083 -6.049 -5.946 323 NH1 ARG 47 NH1 ARG 47 7.780 -14.523 -6.129 324 NH2 ARG 47 NH2 ARG 47 8.661 -15.760 -4.438 325 H ARG 47 H ARG 47 10.122 -9.805 -9.049 326 HA ARG 47 HA ARG 47 12.023 -10.527 -6.817 327 1HB ARG 47 1HB ARG 47 10.428 -11.999 -8.790 328 2HB ARG 47 2HB ARG 47 12.105 -12.517 -8.889 329 1HG ARG 47 1HG ARG 47 10.637 -12.363 -6.192 330 2HG ARG 47 2HG ARG 47 12.190 -13.130 -6.527 331 1HD ARG 47 1HD ARG 47 9.605 -14.087 -7.922 332 2HD ARG 47 2HD ARG 47 11.160 -14.903 -7.859 333 HE ARG 47 HE ARG 47 10.807 -15.464 -5.467 334 1HH1 ARG 47 1HH1 ARG 47 7.947 -13.996 -6.993 335 2HH1 ARG 47 2HH1 ARG 47 6.878 -14.670 -5.663 336 1HH2 ARG 47 1HH2 ARG 47 9.495 -16.178 -4.011 337 2HH2 ARG 47 2HH2 ARG 47 7.697 -15.820 -4.090 338 H MET 48 H MET 48 12.653 -8.331 -8.762 339 HA MET 48 HA MET 48 14.818 -9.022 -10.608 340 1HB MET 48 1HB MET 48 13.632 -6.641 -10.036 341 2HB MET 48 2HB MET 48 15.152 -6.809 -10.896 342 1HG MET 48 1HG MET 48 15.574 -6.670 -7.940 343 2HG MET 48 2HG MET 48 14.731 -5.252 -8.588 344 1HE MET 48 1HE MET 48 15.740 -3.463 -10.237 345 2HE MET 48 2HE MET 48 17.187 -3.765 -11.243 346 3HE MET 48 3HE MET 48 15.703 -4.728 -11.505 347 H LEU 49 H LEU 49 14.609 -8.853 -7.121 348 HA LEU 49 HA LEU 49 17.221 -8.388 -6.165 349 1HB LEU 49 1HB LEU 49 16.716 -9.671 -4.185 350 2HB LEU 49 2HB LEU 49 15.592 -10.717 -5.024 351 HG LEU 49 HG LEU 49 14.860 -8.591 -3.423 352 1HD1 LEU 49 1HD1 LEU 49 13.162 -9.615 -5.783 353 2HD1 LEU 49 2HD1 LEU 49 13.411 -10.508 -4.272 354 3HD1 LEU 49 3HD1 LEU 49 12.564 -8.942 -4.246 355 1HD2 LEU 49 1HD2 LEU 49 13.991 -6.716 -4.757 356 2HD2 LEU 49 2HD2 LEU 49 15.712 -6.903 -5.173 357 3HD2 LEU 49 3HD2 LEU 49 14.470 -7.499 -6.284 358 H GLY 50 H GLY 50 16.026 -11.240 -7.842 359 1HA GLY 50 1HA GLY 50 18.562 -11.989 -9.015 360 2HA GLY 50 2HA GLY 50 18.462 -12.918 -7.516 361 H GLN 51 H GLN 51 15.497 -13.056 -7.670 362 HA GLN 51 HA GLN 51 15.355 -15.661 -9.157 363 1HB GLN 51 1HB GLN 51 12.750 -15.134 -8.244 364 2HB GLN 51 2HB GLN 51 13.741 -14.287 -7.071 365 1HG GLN 51 1HG GLN 51 14.269 -17.224 -7.804 366 2HG GLN 51 2HG GLN 51 13.099 -16.772 -6.585 367 1HE2 GLN 51 1HE2 GLN 51 15.877 -17.127 -4.312 368 2HE2 GLN 51 2HE2 GLN 51 14.358 -17.890 -5.002 369 H ASN 52 H ASN 52 13.097 -15.958 -10.324 370 HA ASN 52 HA ASN 52 12.213 -13.701 -12.063 371 1HB ASN 52 1HB ASN 52 13.682 -15.949 -13.522 372 2HB ASN 52 2HB ASN 52 14.583 -14.596 -12.874 373 1HD2 ASN 52 1HD2 ASN 52 13.703 -13.777 -16.443 374 2HD2 ASN 52 2HD2 ASN 52 14.648 -15.071 -15.549 375 HA PRO 53 HA PRO 53 9.137 -17.263 -11.585 376 1HB PRO 53 1HB PRO 53 7.860 -16.058 -10.042 377 2HB PRO 53 2HB PRO 53 6.832 -15.747 -11.449 378 1HG PRO 53 1HG PRO 53 7.664 -13.597 -11.852 379 2HG PRO 53 2HG PRO 53 7.902 -13.630 -10.089 380 1HD PRO 53 1HD PRO 53 10.273 -13.923 -10.331 381 2HD PRO 53 2HD PRO 53 9.977 -13.224 -11.951 382 H THR 54 H THR 54 7.013 -17.756 -12.817 383 HA THR 54 HA THR 54 7.511 -17.302 -15.787 384 HB THR 54 HB THR 54 7.168 -19.681 -14.581 385 HG1 THR 54 HG1 THR 54 5.892 -19.428 -17.027 386 1HG2 THR 54 1HG2 THR 54 4.923 -20.633 -14.995 387 2HG2 THR 54 2HG2 THR 54 4.805 -19.305 -13.817 388 3HG2 THR 54 3HG2 THR 54 4.297 -19.047 -15.506 389 H LYS 55 H LYS 55 5.278 -17.459 -17.018 390 HA LYS 55 HA LYS 55 3.852 -14.917 -16.268 391 1HB LYS 55 1HB LYS 55 3.079 -14.800 -18.510 392 2HB LYS 55 2HB LYS 55 3.126 -16.534 -18.751 393 1HG LYS 55 1HG LYS 55 5.058 -14.590 -19.535 394 2HG LYS 55 2HG LYS 55 5.855 -15.509 -18.271 395 1HD LYS 55 1HD LYS 55 4.467 -17.347 -20.159 396 2HD LYS 55 2HD LYS 55 5.490 -16.219 -21.035 397 1HE LYS 55 1HE LYS 55 7.359 -16.888 -19.256 398 2HE LYS 55 2HE LYS 55 6.350 -18.301 -18.961 399 1HZ LYS 55 1HZ LYS 55 6.814 -19.129 -21.041 400 2HZ LYS 55 2HZ LYS 55 8.199 -18.255 -20.831 401 3HZ LYS 55 3HZ LYS 55 6.977 -17.653 -21.764 402 H GLU 56 H GLU 56 3.269 -18.378 -16.544 403 HA GLU 56 HA GLU 56 0.387 -18.488 -16.501 404 1HB GLU 56 1HB GLU 56 0.877 -20.809 -15.252 405 2HB GLU 56 2HB GLU 56 2.541 -20.461 -15.675 406 1HG GLU 56 1HG GLU 56 0.471 -20.254 -17.904 407 2HG GLU 56 2HG GLU 56 0.834 -21.857 -17.288 408 H GLU 57 H GLU 57 2.758 -18.304 -13.864 409 HA GLU 57 HA GLU 57 0.796 -18.599 -11.644 410 1HB GLU 57 1HB GLU 57 2.553 -18.470 -10.138 411 2HB GLU 57 2HB GLU 57 3.508 -17.391 -11.132 412 1HG GLU 57 1HG GLU 57 3.668 -19.576 -12.766 413 2HG GLU 57 2HG GLU 57 4.796 -19.291 -11.446 414 H LEU 58 H LEU 58 2.572 -15.907 -13.151 415 HA LEU 58 HA LEU 58 1.855 -13.781 -11.317 416 1HB LEU 58 1HB LEU 58 3.032 -13.985 -14.054 417 2HB LEU 58 2HB LEU 58 2.151 -12.495 -13.787 418 HG LEU 58 HG LEU 58 4.293 -13.485 -11.809 419 1HD1 LEU 58 1HD1 LEU 58 3.368 -10.593 -12.383 420 2HD1 LEU 58 2HD1 LEU 58 2.716 -11.577 -11.065 421 3HD1 LEU 58 3HD1 LEU 58 4.442 -11.141 -11.070 422 1HD2 LEU 58 1HD2 LEU 58 5.997 -12.173 -13.015 423 2HD2 LEU 58 2HD2 LEU 58 5.263 -13.327 -14.156 424 3HD2 LEU 58 3HD2 LEU 58 4.797 -11.616 -14.208 425 H ASP 59 H ASP 59 0.178 -15.243 -14.038 426 HA ASP 59 HA ASP 59 -1.815 -13.338 -14.752 427 1HB ASP 59 1HB ASP 59 -2.127 -16.391 -14.652 428 2HB ASP 59 2HB ASP 59 -1.554 -15.436 -16.000 429 H ALA 60 H ALA 60 -1.808 -15.640 -12.047 430 HA ALA 60 HA ALA 60 -4.538 -15.111 -11.085 431 1HB ALA 60 1HB ALA 60 -3.860 -16.407 -9.069 432 2HB ALA 60 2HB ALA 60 -3.365 -17.226 -10.563 433 3HB ALA 60 3HB ALA 60 -2.155 -16.366 -9.577 434 H ILE 61 H ILE 61 -1.345 -13.802 -10.326 435 HA ILE 61 HA ILE 61 -1.989 -12.346 -7.873 436 HB ILE 61 HB ILE 61 0.312 -12.321 -9.797 437 1HG1 ILE 61 1HG1 ILE 61 1.266 -13.471 -8.086 438 2HG1 ILE 61 2HG1 ILE 61 -0.210 -13.323 -7.155 439 1HG2 ILE 61 1HG2 ILE 61 1.391 -10.296 -8.777 440 2HG2 ILE 61 2HG2 ILE 61 -0.092 -9.850 -9.618 441 3HG2 ILE 61 3HG2 ILE 61 -0.086 -9.956 -7.843 442 1HD1 ILE 61 1HD1 ILE 61 0.552 -11.235 -6.054 443 2HD1 ILE 61 2HD1 ILE 61 1.761 -12.523 -5.864 444 3HD1 ILE 61 3HD1 ILE 61 2.034 -11.224 -7.049 445 H ILE 62 H ILE 62 -2.162 -11.556 -11.316 446 HA ILE 62 HA ILE 62 -2.816 -8.673 -10.987 447 HB ILE 62 HB ILE 62 -2.647 -10.560 -13.331 448 1HG1 ILE 62 1HG1 ILE 62 -0.598 -9.390 -12.910 449 2HG1 ILE 62 2HG1 ILE 62 -1.402 -7.882 -12.529 450 1HG2 ILE 62 1HG2 ILE 62 -3.658 -8.902 -14.922 451 2HG2 ILE 62 2HG2 ILE 62 -4.868 -9.458 -13.768 452 3HG2 ILE 62 3HG2 ILE 62 -4.130 -7.854 -13.561 453 1HD1 ILE 62 1HD1 ILE 62 -1.963 -7.441 -14.905 454 2HD1 ILE 62 2HD1 ILE 62 -0.226 -7.759 -14.719 455 3HD1 ILE 62 3HD1 ILE 62 -1.287 -9.023 -15.382 456 H GLU 63 H GLU 63 -4.570 -11.715 -11.390 457 HA GLU 63 HA GLU 63 -7.283 -10.745 -11.751 458 1HB GLU 63 1HB GLU 63 -6.503 -13.149 -11.995 459 2HB GLU 63 2HB GLU 63 -6.499 -13.300 -10.248 460 1HG GLU 63 1HG GLU 63 -9.082 -12.338 -11.551 461 2HG GLU 63 2HG GLU 63 -8.618 -14.009 -11.822 462 H GLU 64 H GLU 64 -5.291 -11.241 -8.869 463 HA GLU 64 HA GLU 64 -7.387 -10.232 -6.953 464 1HB GLU 64 1HB GLU 64 -4.656 -10.502 -5.850 465 2HB GLU 64 2HB GLU 64 -5.146 -11.949 -6.710 466 1HG GLU 64 1HG GLU 64 -6.773 -12.515 -5.132 467 2HG GLU 64 2HG GLU 64 -7.230 -10.849 -4.821 468 H VAL 65 H VAL 65 -6.789 -8.391 -8.962 469 HA VAL 65 HA VAL 65 -6.387 -5.922 -7.549 470 HB VAL 65 HB VAL 65 -4.091 -6.456 -7.109 471 1HG1 VAL 65 1HG1 VAL 65 -2.371 -6.941 -8.858 472 2HG1 VAL 65 2HG1 VAL 65 -3.648 -8.172 -8.874 473 3HG1 VAL 65 3HG1 VAL 65 -3.616 -6.914 -10.132 474 1HG2 VAL 65 1HG2 VAL 65 -4.147 -4.357 -9.385 475 2HG2 VAL 65 2HG2 VAL 65 -4.456 -4.048 -7.659 476 3HG2 VAL 65 3HG2 VAL 65 -2.847 -4.561 -8.185 477 H ASP 66 H ASP 66 -8.068 -7.077 -9.456 478 HA ASP 66 HA ASP 66 -7.856 -5.098 -11.744 479 1HB ASP 66 1HB ASP 66 -7.451 -8.001 -12.127 480 2HB ASP 66 2HB ASP 66 -8.825 -7.430 -13.046 481 H GLU 67 H GLU 67 -9.403 -4.386 -9.997 482 HA GLU 67 HA GLU 67 -12.145 -5.581 -9.886 483 1HB GLU 67 1HB GLU 67 -12.732 -3.316 -8.775 484 2HB GLU 67 2HB GLU 67 -11.025 -2.924 -8.861 485 1HG GLU 67 1HG GLU 67 -10.422 -4.525 -7.216 486 2HG GLU 67 2HG GLU 67 -11.774 -5.584 -7.577 487 H ASP 68 H ASP 68 -10.401 -3.200 -11.785 488 HA ASP 68 HA ASP 68 -12.799 -2.174 -13.260 489 1HB ASP 68 1HB ASP 68 -11.275 -0.468 -13.326 490 2HB ASP 68 2HB ASP 68 -10.906 -1.222 -14.861 491 H GLY 69 H GLY 69 -10.306 -4.624 -13.672 492 1HA GLY 69 1HA GLY 69 -10.330 -6.644 -15.047 493 2HA GLY 69 2HA GLY 69 -11.966 -6.212 -15.563 494 H SER 70 H SER 70 -8.889 -4.434 -15.821 495 HA SER 70 HA SER 70 -9.328 -3.823 -18.753 496 1HB SER 70 1HB SER 70 -7.105 -2.546 -18.468 497 2HB SER 70 2HB SER 70 -8.510 -1.939 -17.588 498 HG SER 70 HG SER 70 -6.383 -2.263 -16.487 499 H GLY 71 H GLY 71 -7.011 -5.541 -16.643 500 1HA GLY 71 1HA GLY 71 -6.115 -7.276 -19.023 501 2HA GLY 71 2HA GLY 71 -6.219 -7.869 -17.357 502 H THR 72 H THR 72 -4.935 -4.758 -18.448 503 HA THR 72 HA THR 72 -2.126 -5.555 -17.535 504 HB THR 72 HB THR 72 -1.651 -3.229 -18.894 505 HG1 THR 72 HG1 THR 72 -3.933 -3.308 -19.486 506 1HG2 THR 72 1HG2 THR 72 -0.859 -4.542 -20.817 507 2HG2 THR 72 2HG2 THR 72 -0.409 -5.390 -19.321 508 3HG2 THR 72 3HG2 THR 72 -1.775 -5.976 -20.305 509 H ILE 73 H ILE 73 -1.016 -3.128 -17.107 510 HA ILE 73 HA ILE 73 -2.672 -1.751 -14.931 511 HB ILE 73 HB ILE 73 0.218 -2.705 -14.606 512 1HG1 ILE 73 1HG1 ILE 73 -1.036 -4.605 -14.008 513 2HG1 ILE 73 2HG1 ILE 73 -0.871 -3.797 -12.463 514 1HG2 ILE 73 1HG2 ILE 73 0.245 -1.592 -12.377 515 2HG2 ILE 73 2HG2 ILE 73 -0.079 -0.389 -13.633 516 3HG2 ILE 73 3HG2 ILE 73 -1.409 -0.980 -12.608 517 1HD1 ILE 73 1HD1 ILE 73 -3.416 -3.716 -14.187 518 2HD1 ILE 73 2HD1 ILE 73 -3.161 -4.602 -12.668 519 3HD1 ILE 73 3HD1 ILE 73 -3.190 -2.822 -12.659 520 H ASP 74 H ASP 74 -3.086 -0.224 -16.559 521 HA ASP 74 HA ASP 74 -1.024 1.248 -18.052 522 1HB ASP 74 1HB ASP 74 -3.638 2.650 -17.484 523 2HB ASP 74 2HB ASP 74 -2.696 2.569 -18.955 524 H PHE 75 H PHE 75 -1.050 3.780 -17.760 525 HA PHE 75 HA PHE 75 0.331 4.403 -15.233 526 1HB PHE 75 1HB PHE 75 0.793 5.483 -17.515 527 2HB PHE 75 2HB PHE 75 -0.681 6.399 -17.347 528 HD1 PHE 75 HD1 PHE 75 1.989 7.710 -17.699 529 HD2 PHE 75 HD2 PHE 75 0.012 6.542 -14.059 530 HE1 PHE 75 HE1 PHE 75 3.093 9.551 -16.496 531 HE2 PHE 75 HE2 PHE 75 1.122 8.395 -12.876 532 HZ PHE 75 HZ PHE 75 2.643 9.912 -14.092 533 H GLU 76 H GLU 76 -2.882 5.059 -16.568 534 HA GLU 76 HA GLU 76 -3.844 6.945 -14.555 535 1HB GLU 76 1HB GLU 76 -4.822 6.457 -16.899 536 2HB GLU 76 2HB GLU 76 -5.879 6.936 -15.589 537 1HG GLU 76 1HG GLU 76 -5.539 3.956 -16.214 538 2HG GLU 76 2HG GLU 76 -6.861 4.761 -15.395 539 H GLU 77 H GLU 77 -3.743 3.441 -14.697 540 HA GLU 77 HA GLU 77 -5.496 3.038 -12.274 541 1HB GLU 77 1HB GLU 77 -5.791 1.409 -14.000 542 2HB GLU 77 2HB GLU 77 -4.077 1.095 -14.139 543 1HG GLU 77 1HG GLU 77 -5.609 0.442 -11.552 544 2HG GLU 77 2HG GLU 77 -4.011 -0.131 -12.016 545 H PHE 78 H PHE 78 -2.093 3.042 -13.138 546 HA PHE 78 HA PHE 78 -0.979 1.805 -10.745 547 1HB PHE 78 1HB PHE 78 0.325 3.905 -12.589 548 2HB PHE 78 2HB PHE 78 0.319 2.185 -12.882 549 HD1 PHE 78 HD1 PHE 78 1.856 0.693 -11.560 550 HD2 PHE 78 HD2 PHE 78 1.651 4.898 -10.673 551 HE1 PHE 78 HE1 PHE 78 3.918 0.523 -10.226 552 HE2 PHE 78 HE2 PHE 78 3.697 4.703 -9.319 553 HZ PHE 78 HZ PHE 78 4.834 2.521 -9.093 554 H LEU 79 H LEU 79 -2.015 5.080 -11.507 555 HA LEU 79 HA LEU 79 -0.817 6.463 -9.191 556 1HB LEU 79 1HB LEU 79 -2.743 8.212 -9.767 557 2HB LEU 79 2HB LEU 79 -3.016 7.214 -11.178 558 HG LEU 79 HG LEU 79 -0.484 7.541 -11.749 559 1HD1 LEU 79 1HD1 LEU 79 -0.928 9.726 -12.870 560 2HD1 LEU 79 2HD1 LEU 79 -2.331 8.651 -13.020 561 3HD1 LEU 79 3HD1 LEU 79 -2.363 9.991 -11.846 562 1HD2 LEU 79 1HD2 LEU 79 -0.763 9.831 -9.688 563 2HD2 LEU 79 2HD2 LEU 79 0.330 8.431 -9.559 564 3HD2 LEU 79 3HD2 LEU 79 0.584 9.628 -10.837 565 H VAL 80 H VAL 80 -4.027 5.087 -9.869 566 HA VAL 80 HA VAL 80 -5.308 5.855 -7.315 567 HB VAL 80 HB VAL 80 -6.089 4.212 -9.675 568 1HG1 VAL 80 1HG1 VAL 80 -7.830 5.982 -7.847 569 2HG1 VAL 80 2HG1 VAL 80 -6.859 6.630 -9.175 570 3HG1 VAL 80 3HG1 VAL 80 -8.166 5.475 -9.523 571 1HG2 VAL 80 1HG2 VAL 80 -7.943 2.995 -8.629 572 2HG2 VAL 80 2HG2 VAL 80 -6.457 2.504 -7.784 573 3HG2 VAL 80 3HG2 VAL 80 -7.562 3.656 -7.020 574 H MET 81 H MET 81 -3.327 3.182 -8.449 575 HA MET 81 HA MET 81 -3.721 1.242 -6.311 576 1HB MET 81 1HB MET 81 -2.235 1.205 -8.628 577 2HB MET 81 2HB MET 81 -0.947 1.454 -7.464 578 1HG MET 81 1HG MET 81 -1.842 -0.615 -6.162 579 2HG MET 81 2HG MET 81 -1.089 -0.924 -7.735 580 1HE MET 81 1HE MET 81 -2.052 -2.451 -9.371 581 2HE MET 81 2HE MET 81 -3.755 -2.423 -9.918 582 3HE MET 81 3HE MET 81 -2.730 -0.975 -10.129 583 H MET 82 H MET 82 -1.177 3.728 -6.716 584 HA MET 82 HA MET 82 0.148 3.245 -4.137 585 1HB MET 82 1HB MET 82 0.336 5.432 -6.237 586 2HB MET 82 2HB MET 82 1.039 5.737 -4.660 587 1HG MET 82 1HG MET 82 2.433 4.585 -6.692 588 2HG MET 82 2HG MET 82 1.757 3.102 -6.006 589 1HE MET 82 1HE MET 82 4.210 2.104 -5.288 590 2HE MET 82 2HE MET 82 5.442 3.143 -4.513 591 3HE MET 82 3HE MET 82 4.860 3.529 -6.159 592 H VAL 83 H VAL 83 -2.466 5.353 -5.198 593 HA VAL 83 HA VAL 83 -2.522 7.159 -2.867 594 HB VAL 83 HB VAL 83 -4.062 6.877 -5.352 595 1HG1 VAL 83 1HG1 VAL 83 -6.201 7.915 -4.578 596 2HG1 VAL 83 2HG1 VAL 83 -5.997 6.307 -3.870 597 3HG1 VAL 83 3HG1 VAL 83 -5.691 7.752 -2.878 598 1HG2 VAL 83 1HG2 VAL 83 -3.622 9.313 -3.500 599 2HG2 VAL 83 2HG2 VAL 83 -2.601 8.864 -4.886 600 3HG2 VAL 83 3HG2 VAL 83 -4.277 9.363 -5.157 601 NH1 ARG 84 NH1 ARG 84 -10.437 0.526 -3.158 602 NH2 ARG 84 NH2 ARG 84 -9.690 -1.616 -3.041 603 H ARG 84 H ARG 84 -4.057 4.103 -3.724 604 HA ARG 84 HA ARG 84 -6.122 4.036 -1.575 605 1HB ARG 84 1HB ARG 84 -5.183 2.193 -3.745 606 2HB ARG 84 2HB ARG 84 -5.681 1.367 -2.275 607 1HG ARG 84 1HG ARG 84 -7.909 2.480 -2.314 608 2HG ARG 84 2HG ARG 84 -7.455 3.419 -3.738 609 1HD ARG 84 1HD ARG 84 -6.954 1.036 -4.850 610 2HD ARG 84 2HD ARG 84 -8.609 1.646 -4.781 611 HE ARG 84 HE ARG 84 -7.451 -0.480 -2.907 612 1HH1 ARG 84 1HH1 ARG 84 -8.895 -2.262 -3.100 613 2HH1 ARG 84 2HH1 ARG 84 -10.671 -1.863 -2.868 614 1HH2 ARG 84 1HH2 ARG 84 -10.218 1.510 -3.348 615 2HH2 ARG 84 2HH2 ARG 84 -11.356 0.134 -2.927 616 H GLN 85 H GLN 85 -2.794 2.916 -1.984 617 HA GLN 85 HA GLN 85 -2.672 1.172 0.414 618 1HB GLN 85 1HB GLN 85 -0.577 2.283 -1.506 619 2HB GLN 85 2HB GLN 85 -0.074 1.532 -0.003 620 1HG GLN 85 1HG GLN 85 -1.978 -0.293 -1.163 621 2HG GLN 85 2HG GLN 85 -0.996 0.266 -2.499 622 1HE2 GLN 85 1HE2 GLN 85 2.081 -1.031 -0.616 623 2HE2 GLN 85 2HE2 GLN 85 1.457 0.669 -0.911 624 H MET 86 H MET 86 -2.034 4.561 -0.303 625 HA MET 86 HA MET 86 -0.449 5.388 1.966 626 1HB MET 86 1HB MET 86 -0.610 7.447 1.081 627 2HB MET 86 2HB MET 86 -1.490 6.685 -0.230 628 1HG MET 86 1HG MET 86 -3.047 7.694 2.214 629 2HG MET 86 2HG MET 86 -3.657 7.285 0.605 630 1HE MET 86 1HE MET 86 -4.897 9.486 -0.025 631 2HE MET 86 2HE MET 86 -3.936 10.677 -0.950 632 3HE MET 86 3HE MET 86 -3.869 8.945 -1.388 633 H LYS 87 H LYS 87 -3.990 5.276 1.548 634 HA LYS 87 HA LYS 87 -4.731 6.331 4.201 635 1HB LYS 87 1HB LYS 87 -6.996 5.096 3.711 636 2HB LYS 87 2HB LYS 87 -6.300 4.680 2.152 637 1HG LYS 87 1HG LYS 87 -6.410 6.831 1.305 638 2HG LYS 87 2HG LYS 87 -6.141 7.614 2.853 639 1HD LYS 87 1HD LYS 87 -8.739 6.171 2.820 640 2HD LYS 87 2HD LYS 87 -8.367 7.834 3.261 641 1HE LYS 87 1HE LYS 87 -8.126 8.150 0.557 642 2HE LYS 87 2HE LYS 87 -9.191 6.738 0.533 643 1HZ LYS 87 1HZ LYS 87 -10.104 9.204 0.740 644 2HZ LYS 87 2HZ LYS 87 -9.952 8.897 2.356 645 3HZ LYS 87 3HZ LYS 87 -10.900 7.924 1.416 646 H GLU 88 H GLU 88 -5.344 5.267 6.042 647 HA GLU 88 HA GLU 88 -4.122 2.530 6.494 648 1HB GLU 88 1HB GLU 88 -4.019 4.798 8.027 649 2HB GLU 88 2HB GLU 88 -5.386 4.010 8.791 650 1HG GLU 88 1HG GLU 88 -2.780 3.586 9.524 651 2HG GLU 88 2HG GLU 88 -2.902 2.310 8.325 652 H ASP 89 H ASP 89 -7.205 4.243 6.509 653 HA ASP 89 HA ASP 89 -8.718 1.607 6.907 654 1HB ASP 89 1HB ASP 89 -9.110 2.690 8.971 655 2HB ASP 89 2HB ASP 89 -9.221 4.283 8.259 656 H ALA 90 H ALA 90 -9.958 4.857 6.285 657 HA ALA 90 HA ALA 90 -10.339 4.863 3.413 658 1HB ALA 90 1HB ALA 90 -12.684 4.012 3.154 659 2HB ALA 90 2HB ALA 90 -11.603 2.716 3.701 660 3HB ALA 90 3HB ALA 90 -12.715 3.490 4.857 Start of MODEL 34 Raw file had 660 H/Q atoms Start of MODEL 34 1 1H ALA 1 1H ALA 1 -21.603 10.589 -15.522 2 2H ALA 1 2H ALA 1 -22.303 10.816 -17.034 3 3H ALA 1 3H ALA 1 -21.527 9.368 -16.676 4 HA ALA 1 HA ALA 1 -20.396 11.209 -18.099 5 1HB ALA 1 1HB ALA 1 -20.365 12.258 -15.276 6 2HB ALA 1 2HB ALA 1 -20.279 13.137 -16.815 7 3HB ALA 1 3HB ALA 1 -18.814 12.378 -16.140 8 H SER 2 H SER 2 -18.957 9.862 -18.899 9 HA SER 2 HA SER 2 -17.135 8.307 -19.138 10 1HB SER 2 1HB SER 2 -16.583 9.742 -16.593 11 2HB SER 2 2HB SER 2 -15.850 8.137 -16.661 12 HG SER 2 HG SER 2 -14.830 10.149 -17.669 13 H MET 3 H MET 3 -16.296 6.215 -18.172 14 HA MET 3 HA MET 3 -18.610 4.597 -16.976 15 1HB MET 3 1HB MET 3 -16.357 3.513 -18.757 16 2HB MET 3 2HB MET 3 -17.752 2.625 -18.172 17 1HG MET 3 1HG MET 3 -18.709 3.145 -20.188 18 2HG MET 3 2HG MET 3 -18.991 4.755 -19.512 19 1HE MET 3 1HE MET 3 -18.484 6.168 -22.389 20 2HE MET 3 2HE MET 3 -17.253 7.110 -21.497 21 3HE MET 3 3HE MET 3 -18.712 6.523 -20.647 22 H THR 4 H THR 4 -18.194 4.501 -14.872 23 HA THR 4 HA THR 4 -17.178 4.020 -12.784 24 HB THR 4 HB THR 4 -16.838 1.875 -12.898 25 HG1 THR 4 HG1 THR 4 -14.235 2.143 -13.823 26 1HG2 THR 4 1HG2 THR 4 -17.074 1.921 -15.539 27 2HG2 THR 4 2HG2 THR 4 -16.345 0.497 -14.762 28 3HG2 THR 4 3HG2 THR 4 -15.309 1.718 -15.546 29 H ASP 5 H ASP 5 -16.381 5.976 -12.238 30 HA ASP 5 HA ASP 5 -13.652 6.927 -13.104 31 1HB ASP 5 1HB ASP 5 -14.119 8.997 -12.188 32 2HB ASP 5 2HB ASP 5 -15.052 8.355 -10.857 33 H GLN 6 H GLN 6 -12.680 4.939 -12.319 34 HA GLN 6 HA GLN 6 -12.314 4.532 -9.340 35 1HB GLN 6 1HB GLN 6 -12.319 2.697 -11.295 36 2HB GLN 6 2HB GLN 6 -11.405 2.508 -9.811 37 1HG GLN 6 1HG GLN 6 -9.740 1.924 -11.279 38 2HG GLN 6 2HG GLN 6 -9.406 3.641 -11.229 39 1HE2 GLN 6 1HE2 GLN 6 -9.677 2.340 -14.847 40 2HE2 GLN 6 2HE2 GLN 6 -8.698 1.892 -13.360 41 H GLN 7 H GLN 7 -10.656 5.860 -12.159 42 HA GLN 7 HA GLN 7 -8.151 6.591 -10.581 43 1HB GLN 7 1HB GLN 7 -7.725 5.622 -12.792 44 2HB GLN 7 2HB GLN 7 -7.206 7.305 -12.754 45 1HG GLN 7 1HG GLN 7 -8.548 6.338 -14.855 46 2HG GLN 7 2HG GLN 7 -9.976 6.661 -13.884 47 1HE2 GLN 7 1HE2 GLN 7 -9.855 10.146 -14.720 48 2HE2 GLN 7 2HE2 GLN 7 -10.797 8.688 -14.126 49 H ALA 8 H ALA 8 -10.940 7.839 -10.335 50 HA ALA 8 HA ALA 8 -10.568 10.689 -11.263 51 1HB ALA 8 1HB ALA 8 -12.836 11.064 -10.305 52 2HB ALA 8 2HB ALA 8 -12.823 9.680 -11.415 53 3HB ALA 8 3HB ALA 8 -12.870 9.407 -9.655 54 H GLU 9 H GLU 9 -10.546 8.766 -8.289 55 HA GLU 9 HA GLU 9 -10.320 11.059 -6.402 56 1HB GLU 9 1HB GLU 9 -10.408 9.543 -4.638 57 2HB GLU 9 2HB GLU 9 -11.317 8.708 -5.889 58 1HG GLU 9 1HG GLU 9 -9.475 7.170 -6.391 59 2HG GLU 9 2HG GLU 9 -8.335 8.089 -5.414 60 H ALA 10 H ALA 10 -8.105 8.827 -7.995 61 HA ALA 10 HA ALA 10 -5.703 9.391 -6.381 62 1HB ALA 10 1HB ALA 10 -4.468 8.172 -8.167 63 2HB ALA 10 2HB ALA 10 -5.929 7.293 -7.677 64 3HB ALA 10 3HB ALA 10 -5.905 8.190 -9.217 65 NH1 ARG 11 NH1 ARG 11 -6.539 12.323 -16.314 66 NH2 ARG 11 NH2 ARG 11 -7.941 13.927 -15.525 67 H ARG 11 H ARG 11 -7.064 10.710 -9.366 68 HA ARG 11 HA ARG 11 -4.702 12.382 -10.138 69 1HB ARG 11 1HB ARG 11 -7.431 11.826 -11.270 70 2HB ARG 11 2HB ARG 11 -6.846 13.461 -11.537 71 1HG ARG 11 1HG ARG 11 -5.131 12.834 -12.957 72 2HG ARG 11 2HG ARG 11 -4.821 11.303 -12.133 73 1HD ARG 11 1HD ARG 11 -5.762 10.836 -14.364 74 2HD ARG 11 2HD ARG 11 -6.915 10.302 -13.139 75 HE ARG 11 HE ARG 11 -8.397 12.198 -13.756 76 1HH1 ARG 11 1HH1 ARG 11 -8.528 14.262 -14.753 77 2HH1 ARG 11 2HH1 ARG 11 -7.793 14.386 -16.430 78 1HH2 ARG 11 1HH2 ARG 11 -6.046 11.440 -16.142 79 2HH2 ARG 11 2HH2 ARG 11 -6.500 12.892 -17.168 80 H ALA 12 H ALA 12 -7.782 12.821 -8.462 81 HA ALA 12 HA ALA 12 -7.691 15.779 -8.189 82 1HB ALA 12 1HB ALA 12 -9.538 15.481 -6.551 83 2HB ALA 12 2HB ALA 12 -9.840 14.559 -8.037 84 3HB ALA 12 3HB ALA 12 -9.304 13.716 -6.562 85 H PHE 13 H PHE 13 -6.479 13.011 -6.383 86 HA PHE 13 HA PHE 13 -5.839 14.315 -3.853 87 1HB PHE 13 1HB PHE 13 -6.045 11.827 -4.246 88 2HB PHE 13 2HB PHE 13 -4.514 11.824 -5.082 89 HD1 PHE 13 HD1 PHE 13 -5.334 10.286 -2.481 90 HD2 PHE 13 HD2 PHE 13 -3.240 14.004 -3.050 91 HE1 PHE 13 HE1 PHE 13 -4.171 9.974 -0.334 92 HE2 PHE 13 HE2 PHE 13 -2.087 13.672 -0.903 93 HZ PHE 13 HZ PHE 13 -2.549 11.662 0.459 94 H LEU 14 H LEU 14 -3.766 13.428 -6.635 95 HA LEU 14 HA LEU 14 -1.711 15.567 -5.824 96 1HB LEU 14 1HB LEU 14 -0.336 13.783 -5.519 97 2HB LEU 14 2HB LEU 14 -0.145 13.891 -7.255 98 HG LEU 14 HG LEU 14 -2.229 12.021 -5.985 99 1HD1 LEU 14 1HD1 LEU 14 -2.106 10.825 -8.172 100 2HD1 LEU 14 2HD1 LEU 14 -2.573 12.519 -8.410 101 3HD1 LEU 14 3HD1 LEU 14 -0.910 11.999 -8.778 102 1HD2 LEU 14 1HD2 LEU 14 0.690 11.308 -6.724 103 2HD2 LEU 14 2HD2 LEU 14 0.000 11.332 -5.082 104 3HD2 LEU 14 3HD2 LEU 14 -0.579 10.145 -6.261 105 H SER 15 H SER 15 -1.288 17.039 -7.286 106 HA SER 15 HA SER 15 -2.852 17.274 -9.788 107 1HB SER 15 1HB SER 15 -0.491 19.098 -9.267 108 2HB SER 15 2HB SER 15 -2.091 19.467 -9.917 109 HG SER 15 HG SER 15 -2.941 19.418 -7.940 110 H GLU 16 H GLU 16 -0.859 18.501 -11.426 111 HA GLU 16 HA GLU 16 0.217 16.110 -12.843 112 1HB GLU 16 1HB GLU 16 -0.714 17.802 -14.235 113 2HB GLU 16 2HB GLU 16 0.204 19.092 -13.484 114 1HG GLU 16 1HG GLU 16 2.328 17.695 -14.457 115 2HG GLU 16 2HG GLU 16 1.116 17.026 -15.537 116 H GLU 17 H GLU 17 1.446 18.753 -10.885 117 HA GLU 17 HA GLU 17 4.262 18.714 -11.419 118 1HB GLU 17 1HB GLU 17 4.610 19.396 -8.947 119 2HB GLU 17 2HB GLU 17 2.872 19.271 -8.751 120 1HG GLU 17 1HG GLU 17 4.062 21.048 -10.961 121 2HG GLU 17 2HG GLU 17 2.449 21.117 -10.273 122 H MET 18 H MET 18 2.365 16.632 -9.251 123 HA MET 18 HA MET 18 4.727 15.065 -8.256 124 1HB MET 18 1HB MET 18 1.799 14.260 -7.853 125 2HB MET 18 2HB MET 18 3.199 13.802 -6.901 126 1HG MET 18 1HG MET 18 2.119 16.690 -7.037 127 2HG MET 18 2HG MET 18 1.712 15.519 -5.772 128 1HE MET 18 1HE MET 18 2.819 15.741 -3.547 129 2HE MET 18 2HE MET 18 4.157 16.898 -3.285 130 3HE MET 18 3HE MET 18 2.631 17.455 -4.034 131 H ILE 19 H ILE 19 2.142 14.765 -10.633 132 HA ILE 19 HA ILE 19 2.253 11.945 -11.249 133 HB ILE 19 HB ILE 19 1.315 14.358 -12.801 134 1HG1 ILE 19 1HG1 ILE 19 0.039 12.651 -11.022 135 2HG1 ILE 19 2HG1 ILE 19 -0.335 11.836 -12.526 136 1HG2 ILE 19 1HG2 ILE 19 0.697 12.987 -14.807 137 2HG2 ILE 19 2HG2 ILE 19 2.448 13.012 -14.604 138 3HG2 ILE 19 3HG2 ILE 19 1.528 11.568 -14.122 139 1HD1 ILE 19 1HD1 ILE 19 -1.462 13.832 -13.469 140 2HD1 ILE 19 2HD1 ILE 19 -2.139 13.424 -11.879 141 3HD1 ILE 19 3HD1 ILE 19 -1.014 14.793 -12.034 142 H ALA 20 H ALA 20 4.300 14.649 -12.218 143 HA ALA 20 HA ALA 20 5.755 13.424 -14.432 144 1HB ALA 20 1HB ALA 20 7.414 15.254 -14.102 145 2HB ALA 20 2HB ALA 20 5.750 15.869 -14.055 146 3HB ALA 20 3HB ALA 20 6.673 15.684 -12.542 147 H GLU 21 H GLU 21 6.351 13.541 -10.931 148 HA GLU 21 HA GLU 21 9.008 12.371 -10.830 149 1HB GLU 21 1HB GLU 21 6.787 12.762 -8.838 150 2HB GLU 21 2HB GLU 21 8.435 13.357 -8.823 151 1HG GLU 21 1HG GLU 21 7.713 10.401 -8.300 152 2HG GLU 21 2HG GLU 21 9.292 11.138 -8.091 153 H PHE 22 H PHE 22 5.779 10.976 -11.041 154 HA PHE 22 HA PHE 22 6.605 8.146 -10.582 155 1HB PHE 22 1HB PHE 22 3.942 9.333 -11.573 156 2HB PHE 22 2HB PHE 22 4.213 7.627 -11.340 157 HD1 PHE 22 HD1 PHE 22 2.938 10.490 -9.728 158 HD2 PHE 22 HD2 PHE 22 5.306 6.996 -8.882 159 HE1 PHE 22 HE1 PHE 22 2.410 10.698 -7.335 160 HE2 PHE 22 HE2 PHE 22 4.763 7.221 -6.492 161 HZ PHE 22 HZ PHE 22 3.327 9.075 -5.713 162 H LYS 23 H LYS 23 6.068 10.283 -13.319 163 HA LYS 23 HA LYS 23 5.725 8.533 -15.558 164 1HB LYS 23 1HB LYS 23 7.139 11.228 -15.307 165 2HB LYS 23 2HB LYS 23 7.277 10.336 -16.806 166 1HG LYS 23 1HG LYS 23 4.612 11.215 -15.534 167 2HG LYS 23 2HG LYS 23 4.769 10.306 -17.027 168 1HD LYS 23 1HD LYS 23 5.436 13.230 -16.508 169 2HD LYS 23 2HD LYS 23 4.498 12.517 -17.825 170 1HE LYS 23 1HE LYS 23 7.534 12.732 -17.547 171 2HE LYS 23 2HE LYS 23 6.882 11.377 -18.480 172 1HZ LYS 23 1HZ LYS 23 6.966 12.951 -20.098 173 2HZ LYS 23 2HZ LYS 23 6.790 14.237 -19.076 174 3HZ LYS 23 3HZ LYS 23 5.468 13.360 -19.535 175 H ALA 24 H ALA 24 8.705 9.454 -13.860 176 HA ALA 24 HA ALA 24 10.686 8.312 -15.658 177 1HB ALA 24 1HB ALA 24 12.246 8.409 -13.724 178 2HB ALA 24 2HB ALA 24 11.297 9.901 -13.860 179 3HB ALA 24 3HB ALA 24 10.892 8.702 -12.606 180 H ALA 25 H ALA 25 9.259 6.968 -12.660 181 HA ALA 25 HA ALA 25 10.603 4.327 -12.889 182 1HB ALA 25 1HB ALA 25 9.292 3.734 -10.860 183 2HB ALA 25 2HB ALA 25 10.072 5.316 -10.676 184 3HB ALA 25 3HB ALA 25 8.324 5.220 -11.007 185 H PHE 26 H PHE 26 7.792 5.679 -14.305 186 HA PHE 26 HA PHE 26 5.938 3.384 -14.290 187 1HB PHE 26 1HB PHE 26 4.894 5.466 -14.715 188 2HB PHE 26 2HB PHE 26 6.058 5.965 -15.913 189 HD1 PHE 26 HD1 PHE 26 3.057 3.840 -15.274 190 HD2 PHE 26 HD2 PHE 26 5.836 5.146 -18.287 191 HE1 PHE 26 HE1 PHE 26 1.520 3.076 -17.039 192 HE2 PHE 26 HE2 PHE 26 4.286 4.376 -20.038 193 HZ PHE 26 HZ PHE 26 2.144 3.312 -19.418 194 H ASP 27 H ASP 27 8.286 4.656 -16.661 195 HA ASP 27 HA ASP 27 7.900 2.516 -18.667 196 1HB ASP 27 1HB ASP 27 8.733 4.624 -19.489 197 2HB ASP 27 2HB ASP 27 9.937 3.393 -19.790 198 H MET 28 H MET 28 10.023 3.036 -15.913 199 HA MET 28 HA MET 28 12.008 0.941 -16.335 200 1HB MET 28 1HB MET 28 11.924 2.807 -14.449 201 2HB MET 28 2HB MET 28 11.027 1.613 -13.527 202 1HG MET 28 1HG MET 28 13.044 -0.031 -13.997 203 2HG MET 28 2HG MET 28 13.930 1.420 -14.497 204 1HE MET 28 1HE MET 28 11.765 3.262 -12.376 205 2HE MET 28 2HE MET 28 12.949 3.609 -11.081 206 3HE MET 28 3HE MET 28 13.416 3.822 -12.794 207 H PHE 29 H PHE 29 8.771 0.925 -14.903 208 HA PHE 29 HA PHE 29 8.828 -1.890 -13.941 209 1HB PHE 29 1HB PHE 29 6.267 -0.281 -14.452 210 2HB PHE 29 2HB PHE 29 7.306 0.094 -13.104 211 HD1 PHE 29 HD1 PHE 29 8.062 -3.125 -12.878 212 HD2 PHE 29 HD2 PHE 29 4.442 -0.798 -12.772 213 HE1 PHE 29 HE1 PHE 29 6.958 -4.881 -11.554 214 HE2 PHE 29 HE2 PHE 29 3.356 -2.570 -11.455 215 HZ PHE 29 HZ PHE 29 4.602 -4.615 -10.856 216 H ASP 30 H ASP 30 7.798 -0.163 -16.839 217 HA ASP 30 HA ASP 30 6.386 -2.477 -18.088 218 1HB ASP 30 1HB ASP 30 5.501 -0.323 -18.660 219 2HB ASP 30 2HB ASP 30 7.064 0.320 -19.107 220 H ALA 31 H ALA 31 8.613 -0.705 -20.093 221 HA ALA 31 HA ALA 31 11.021 -2.204 -20.133 222 1HB ALA 31 1HB ALA 31 10.687 -4.051 -21.781 223 2HB ALA 31 2HB ALA 31 9.713 -4.289 -20.317 224 3HB ALA 31 3HB ALA 31 8.936 -3.736 -21.823 225 H ASP 32 H ASP 32 8.375 -1.126 -22.238 226 HA ASP 32 HA ASP 32 10.220 -0.344 -24.498 227 1HB ASP 32 1HB ASP 32 7.331 0.449 -24.709 228 2HB ASP 32 2HB ASP 32 8.417 -0.220 -25.906 229 H GLY 33 H GLY 33 7.891 1.245 -22.296 230 1HA GLY 33 1HA GLY 33 8.564 3.367 -21.035 231 2HA GLY 33 2HA GLY 33 9.571 3.783 -22.403 232 H GLY 34 H GLY 34 6.172 3.138 -21.521 233 1HA GLY 34 1HA GLY 34 4.386 4.937 -21.744 234 2HA GLY 34 2HA GLY 34 5.277 5.582 -23.128 235 H GLY 35 H GLY 35 3.635 2.613 -22.047 236 1HA GLY 35 1HA GLY 35 1.860 2.345 -24.395 237 2HA GLY 35 2HA GLY 35 3.285 1.325 -24.631 238 H ASP 36 H ASP 36 1.657 2.132 -21.586 239 HA ASP 36 HA ASP 36 0.581 0.796 -19.898 240 1HB ASP 36 1HB ASP 36 -0.918 0.255 -21.977 241 2HB ASP 36 2HB ASP 36 -1.054 -0.704 -20.522 242 H ILE 37 H ILE 37 0.616 -1.607 -19.073 243 HA ILE 37 HA ILE 37 3.306 -2.954 -19.567 244 HB ILE 37 HB ILE 37 2.357 -2.782 -16.710 245 1HG1 ILE 37 1HG1 ILE 37 4.265 -0.646 -17.841 246 2HG1 ILE 37 2HG1 ILE 37 2.560 -0.354 -17.558 247 1HG2 ILE 37 1HG2 ILE 37 4.711 -3.271 -16.170 248 2HG2 ILE 37 2HG2 ILE 37 4.115 -4.440 -17.356 249 3HG2 ILE 37 3HG2 ILE 37 5.184 -3.117 -17.880 250 1HD1 ILE 37 1HD1 ILE 37 4.595 -1.055 -15.357 251 2HD1 ILE 37 2HD1 ILE 37 3.814 0.514 -15.654 252 3HD1 ILE 37 3HD1 ILE 37 2.840 -0.865 -15.094 253 H SER 38 H SER 38 2.997 -4.949 -20.111 254 HA SER 38 HA SER 38 0.374 -6.367 -19.695 255 1HB SER 38 1HB SER 38 2.878 -6.921 -21.304 256 2HB SER 38 2HB SER 38 1.849 -8.289 -20.872 257 HG SER 38 HG SER 38 0.537 -7.660 -22.319 258 H THR 39 H THR 39 1.021 -8.917 -19.260 259 HA THR 39 HA THR 39 1.749 -9.007 -16.350 260 HB THR 39 HB THR 39 1.396 -11.669 -17.057 261 HG1 THR 39 HG1 THR 39 -0.415 -11.664 -18.372 262 1HG2 THR 39 1HG2 THR 39 -0.842 -11.531 -16.055 263 2HG2 THR 39 2HG2 THR 39 0.263 -10.493 -15.124 264 3HG2 THR 39 3HG2 THR 39 -0.897 -9.766 -16.268 265 H LYS 40 H LYS 40 2.997 -10.280 -19.434 266 HA LYS 40 HA LYS 40 5.267 -11.768 -18.473 267 1HB LYS 40 1HB LYS 40 5.616 -12.192 -20.619 268 2HB LYS 40 2HB LYS 40 6.015 -10.541 -21.013 269 1HG LYS 40 1HG LYS 40 3.159 -11.724 -20.866 270 2HG LYS 40 2HG LYS 40 3.536 -10.109 -21.404 271 1HD LYS 40 1HD LYS 40 5.059 -11.733 -23.194 272 2HD LYS 40 2HD LYS 40 3.638 -12.678 -22.857 273 1HE LYS 40 1HE LYS 40 2.428 -10.239 -23.360 274 2HE LYS 40 2HE LYS 40 3.797 -10.156 -24.461 275 1HZ LYS 40 1HZ LYS 40 2.257 -12.662 -24.427 276 2HZ LYS 40 2HZ LYS 40 2.954 -11.877 -25.702 277 3HZ LYS 40 3HZ LYS 40 1.522 -11.336 -25.083 278 H GLU 41 H GLU 41 4.782 -8.322 -19.048 279 HA GLU 41 HA GLU 41 7.634 -7.510 -18.733 280 1HB GLU 41 1HB GLU 41 7.038 -5.542 -19.577 281 2HB GLU 41 2HB GLU 41 5.802 -5.278 -18.366 282 1HG GLU 41 1HG GLU 41 5.015 -7.219 -20.540 283 2HG GLU 41 2HG GLU 41 4.074 -5.980 -19.738 284 H LEU 42 H LEU 42 4.674 -7.315 -16.761 285 HA LEU 42 HA LEU 42 5.548 -5.892 -14.449 286 1HB LEU 42 1HB LEU 42 3.822 -8.399 -14.141 287 2HB LEU 42 2HB LEU 42 3.205 -7.010 -15.009 288 HG LEU 42 HG LEU 42 4.326 -6.497 -12.230 289 1HD1 LEU 42 1HD1 LEU 42 1.526 -7.728 -12.617 290 2HD1 LEU 42 2HD1 LEU 42 2.928 -8.638 -12.033 291 3HD1 LEU 42 3HD1 LEU 42 2.302 -7.271 -11.078 292 1HD2 LEU 42 1HD2 LEU 42 2.545 -4.790 -12.117 293 2HD2 LEU 42 2HD2 LEU 42 3.375 -4.617 -13.683 294 3HD2 LEU 42 3HD2 LEU 42 1.788 -5.404 -13.609 295 H GLY 43 H GLY 43 5.619 -9.448 -14.853 296 1HA GLY 43 1HA GLY 43 6.906 -10.279 -12.458 297 2HA GLY 43 2HA GLY 43 7.125 -11.134 -13.990 298 H THR 44 H THR 44 8.354 -8.935 -15.394 299 HA THR 44 HA THR 44 11.109 -9.608 -15.115 300 HB THR 44 HB THR 44 10.074 -6.939 -16.205 301 HG1 THR 44 HG1 THR 44 10.044 -8.000 -18.133 302 1HG2 THR 44 1HG2 THR 44 12.116 -6.954 -17.648 303 2HG2 THR 44 2HG2 THR 44 12.546 -6.843 -15.928 304 3HG2 THR 44 3HG2 THR 44 12.728 -8.391 -16.792 305 H VAL 45 H VAL 45 9.531 -6.621 -13.939 306 HA VAL 45 HA VAL 45 11.882 -5.554 -12.532 307 HB VAL 45 HB VAL 45 9.035 -4.735 -12.819 308 1HG1 VAL 45 1HG1 VAL 45 11.575 -3.004 -12.576 309 2HG1 VAL 45 2HG1 VAL 45 11.034 -3.727 -14.096 310 3HG1 VAL 45 3HG1 VAL 45 10.000 -2.538 -13.272 311 1HG2 VAL 45 1HG2 VAL 45 8.914 -3.192 -10.931 312 2HG2 VAL 45 2HG2 VAL 45 9.266 -4.795 -10.245 313 3HG2 VAL 45 3HG2 VAL 45 10.563 -3.600 -10.391 314 H MET 46 H MET 46 9.182 -7.644 -11.651 315 HA MET 46 HA MET 46 9.377 -7.628 -8.754 316 1HB MET 46 1HB MET 46 8.214 -9.579 -10.757 317 2HB MET 46 2HB MET 46 8.532 -10.187 -9.143 318 1HG MET 46 1HG MET 46 6.363 -8.380 -10.058 319 2HG MET 46 2HG MET 46 7.191 -7.733 -8.631 320 1HE MET 46 1HE MET 46 6.607 -8.384 -6.266 321 2HE MET 46 2HE MET 46 6.365 -10.079 -5.750 322 3HE MET 46 3HE MET 46 7.916 -9.587 -6.490 323 NH1 ARG 47 NH1 ARG 47 17.623 -12.984 -14.175 324 NH2 ARG 47 NH2 ARG 47 18.503 -14.027 -12.358 325 H ARG 47 H ARG 47 11.201 -9.326 -11.240 326 HA ARG 47 HA ARG 47 12.530 -11.351 -9.585 327 1HB ARG 47 1HB ARG 47 13.677 -10.168 -12.175 328 2HB ARG 47 2HB ARG 47 12.320 -11.287 -12.154 329 1HG ARG 47 1HG ARG 47 14.541 -12.347 -10.505 330 2HG ARG 47 2HG ARG 47 13.630 -13.113 -11.807 331 1HD ARG 47 1HD ARG 47 15.100 -12.267 -13.535 332 2HD ARG 47 2HD ARG 47 15.719 -10.986 -12.503 333 HE ARG 47 HE ARG 47 16.636 -13.202 -11.099 334 1HH1 ARG 47 1HH1 ARG 47 16.865 -12.409 -14.560 335 2HH1 ARG 47 2HH1 ARG 47 18.434 -13.353 -14.684 336 1HH2 ARG 47 1HH2 ARG 47 18.422 -14.247 -11.359 337 2HH2 ARG 47 2HH2 ARG 47 19.253 -14.322 -12.993 338 H MET 48 H MET 48 13.281 -8.008 -10.419 339 HA MET 48 HA MET 48 16.067 -7.776 -9.808 340 1HB MET 48 1HB MET 48 15.118 -5.361 -8.767 341 2HB MET 48 2HB MET 48 13.804 -5.826 -9.831 342 1HG MET 48 1HG MET 48 15.030 -5.463 -11.770 343 2HG MET 48 2HG MET 48 16.538 -6.083 -11.077 344 1HE MET 48 1HE MET 48 15.133 -3.068 -12.604 345 2HE MET 48 2HE MET 48 16.482 -1.982 -12.162 346 3HE MET 48 3HE MET 48 16.826 -3.581 -12.884 347 H LEU 49 H LEU 49 13.300 -8.006 -7.641 348 HA LEU 49 HA LEU 49 14.341 -7.367 -5.065 349 1HB LEU 49 1HB LEU 49 12.923 -9.691 -4.476 350 2HB LEU 49 2HB LEU 49 12.258 -9.301 -6.047 351 HG LEU 49 HG LEU 49 12.325 -7.289 -3.716 352 1HD1 LEU 49 1HD1 LEU 49 9.937 -9.034 -4.584 353 2HD1 LEU 49 2HD1 LEU 49 10.947 -9.360 -3.164 354 3HD1 LEU 49 3HD1 LEU 49 9.978 -7.868 -3.238 355 1HD2 LEU 49 1HD2 LEU 49 10.698 -5.970 -5.007 356 2HD2 LEU 49 2HD2 LEU 49 12.073 -6.311 -6.086 357 3HD2 LEU 49 3HD2 LEU 49 10.572 -7.234 -6.256 358 H GLY 50 H GLY 50 14.205 -10.747 -6.211 359 1HA GLY 50 1HA GLY 50 16.226 -11.870 -4.424 360 2HA GLY 50 2HA GLY 50 17.071 -11.337 -5.884 361 H GLN 51 H GLN 51 13.891 -12.857 -5.303 362 HA GLN 51 HA GLN 51 14.675 -15.434 -6.657 363 1HB GLN 51 1HB GLN 51 13.254 -15.483 -4.620 364 2HB GLN 51 2HB GLN 51 12.521 -16.289 -5.994 365 1HG GLN 51 1HG GLN 51 11.175 -14.073 -6.395 366 2HG GLN 51 2HG GLN 51 11.736 -13.560 -4.819 367 1HE2 GLN 51 1HE2 GLN 51 8.366 -15.335 -4.503 368 2HE2 GLN 51 2HE2 GLN 51 9.033 -13.855 -5.358 369 H ASN 52 H ASN 52 12.327 -16.091 -7.939 370 HA ASN 52 HA ASN 52 11.745 -13.981 -10.013 371 1HB ASN 52 1HB ASN 52 13.799 -15.371 -10.737 372 2HB ASN 52 2HB ASN 52 12.737 -16.748 -10.933 373 1HD2 ASN 52 1HD2 ASN 52 13.096 -14.974 -14.260 374 2HD2 ASN 52 2HD2 ASN 52 14.217 -15.757 -13.036 375 HA PRO 53 HA PRO 53 7.712 -16.256 -8.707 376 1HB PRO 53 1HB PRO 53 6.054 -14.552 -8.935 377 2HB PRO 53 2HB PRO 53 6.782 -13.934 -10.426 378 1HG PRO 53 1HG PRO 53 7.596 -12.294 -8.975 379 2HG PRO 53 2HG PRO 53 7.674 -13.365 -7.557 380 1HD PRO 53 1HD PRO 53 9.985 -13.524 -8.139 381 2HD PRO 53 2HD PRO 53 9.691 -12.972 -9.814 382 H THR 54 H THR 54 6.038 -17.196 -10.097 383 HA THR 54 HA THR 54 7.175 -18.202 -12.730 384 HB THR 54 HB THR 54 6.079 -19.671 -10.738 385 HG1 THR 54 HG1 THR 54 5.429 -20.691 -13.167 386 1HG2 THR 54 1HG2 THR 54 3.846 -20.527 -11.366 387 2HG2 THR 54 2HG2 THR 54 3.739 -18.792 -10.990 388 3HG2 THR 54 3HG2 THR 54 3.712 -19.340 -12.685 389 H LYS 55 H LYS 55 5.205 -18.737 -14.299 390 HA LYS 55 HA LYS 55 4.211 -16.034 -15.176 391 1HB LYS 55 1HB LYS 55 4.810 -16.971 -17.158 392 2HB LYS 55 2HB LYS 55 3.231 -17.726 -17.114 393 1HG LYS 55 1HG LYS 55 4.319 -19.778 -16.018 394 2HG LYS 55 2HG LYS 55 4.683 -19.486 -17.709 395 1HD LYS 55 1HD LYS 55 6.537 -19.727 -15.442 396 2HD LYS 55 2HD LYS 55 6.886 -19.687 -17.163 397 1HE LYS 55 1HE LYS 55 6.257 -16.971 -16.182 398 2HE LYS 55 2HE LYS 55 7.569 -17.683 -15.245 399 1HZ LYS 55 1HZ LYS 55 8.918 -17.257 -16.963 400 2HZ LYS 55 2HZ LYS 55 7.674 -16.605 -17.832 401 3HZ LYS 55 3HZ LYS 55 8.037 -18.209 -17.985 402 H GLU 56 H GLU 56 3.005 -19.105 -13.934 403 HA GLU 56 HA GLU 56 0.144 -18.743 -14.516 404 1HB GLU 56 1HB GLU 56 0.176 -20.459 -12.325 405 2HB GLU 56 2HB GLU 56 1.792 -20.691 -12.964 406 1HG GLU 56 1HG GLU 56 0.774 -22.277 -14.283 407 2HG GLU 56 2HG GLU 56 0.375 -20.918 -15.319 408 H GLU 57 H GLU 57 2.274 -17.908 -11.824 409 HA GLU 57 HA GLU 57 0.126 -16.964 -9.962 410 1HB GLU 57 1HB GLU 57 1.757 -17.418 -8.524 411 2HB GLU 57 2HB GLU 57 2.373 -15.828 -8.918 412 1HG GLU 57 1HG GLU 57 3.369 -18.129 -10.652 413 2HG GLU 57 2HG GLU 57 4.212 -16.665 -10.161 414 H LEU 58 H LEU 58 2.291 -15.609 -12.384 415 HA LEU 58 HA LEU 58 2.122 -12.796 -11.856 416 1HB LEU 58 1HB LEU 58 2.909 -14.518 -14.123 417 2HB LEU 58 2HB LEU 58 2.154 -13.043 -14.692 418 HG LEU 58 HG LEU 58 4.775 -13.155 -14.311 419 1HD1 LEU 58 1HD1 LEU 58 4.893 -10.700 -13.730 420 2HD1 LEU 58 2HD1 LEU 58 3.652 -11.011 -14.952 421 3HD1 LEU 58 3HD1 LEU 58 3.174 -10.719 -13.262 422 1HD2 LEU 58 1HD2 LEU 58 3.879 -12.552 -11.417 423 2HD2 LEU 58 2HD2 LEU 58 4.706 -14.029 -11.971 424 3HD2 LEU 58 3HD2 LEU 58 5.547 -12.469 -12.037 425 H ASP 59 H ASP 59 0.021 -14.865 -13.864 426 HA ASP 59 HA ASP 59 -1.832 -12.819 -14.797 427 1HB ASP 59 1HB ASP 59 -2.365 -15.831 -14.500 428 2HB ASP 59 2HB ASP 59 -1.630 -15.055 -15.883 429 H ALA 60 H ALA 60 -1.700 -14.786 -11.882 430 HA ALA 60 HA ALA 60 -4.365 -14.171 -10.798 431 1HB ALA 60 1HB ALA 60 -3.483 -15.091 -8.658 432 2HB ALA 60 2HB ALA 60 -3.074 -16.137 -10.032 433 3HB ALA 60 3HB ALA 60 -1.825 -15.093 -9.306 434 H ILE 61 H ILE 61 -1.216 -12.608 -10.656 435 HA ILE 61 HA ILE 61 -1.697 -10.809 -8.363 436 HB ILE 61 HB ILE 61 0.470 -11.164 -10.372 437 1HG1 ILE 61 1HG1 ILE 61 1.552 -11.795 -8.477 438 2HG1 ILE 61 2HG1 ILE 61 0.135 -11.408 -7.525 439 1HG2 ILE 61 1HG2 ILE 61 1.537 -8.920 -10.012 440 2HG2 ILE 61 2HG2 ILE 61 -0.007 -8.745 -10.844 441 3HG2 ILE 61 3HG2 ILE 61 0.106 -8.363 -9.110 442 1HD1 ILE 61 1HD1 ILE 61 0.908 -9.090 -7.096 443 2HD1 ILE 61 2HD1 ILE 61 2.160 -10.265 -6.642 444 3HD1 ILE 61 3HD1 ILE 61 2.324 -9.343 -8.154 445 H ILE 62 H ILE 62 -2.025 -10.555 -11.891 446 HA ILE 62 HA ILE 62 -2.805 -7.698 -11.972 447 HB ILE 62 HB ILE 62 -2.811 -9.934 -14.020 448 1HG1 ILE 62 1HG1 ILE 62 -0.668 -8.919 -13.946 449 2HG1 ILE 62 2HG1 ILE 62 -1.296 -7.324 -13.590 450 1HG2 ILE 62 1HG2 ILE 62 -3.801 -8.425 -15.766 451 2HG2 ILE 62 2HG2 ILE 62 -4.973 -8.730 -14.486 452 3HG2 ILE 62 3HG2 ILE 62 -4.113 -7.175 -14.536 453 1HD1 ILE 62 1HD1 ILE 62 -2.045 -6.965 -15.927 454 2HD1 ILE 62 2HD1 ILE 62 -0.332 -7.433 -15.882 455 3HD1 ILE 62 3HD1 ILE 62 -1.559 -8.627 -16.362 456 H GLU 63 H GLU 63 -4.512 -10.817 -11.973 457 HA GLU 63 HA GLU 63 -7.238 -10.067 -12.245 458 1HB GLU 63 1HB GLU 63 -6.589 -12.098 -10.093 459 2HB GLU 63 2HB GLU 63 -6.061 -12.432 -11.731 460 1HG GLU 63 1HG GLU 63 -8.580 -11.971 -12.429 461 2HG GLU 63 2HG GLU 63 -8.156 -13.498 -11.674 462 H GLU 64 H GLU 64 -5.085 -9.698 -9.479 463 HA GLU 64 HA GLU 64 -7.048 -8.890 -7.460 464 1HB GLU 64 1HB GLU 64 -4.469 -9.612 -7.280 465 2HB GLU 64 2HB GLU 64 -4.190 -7.882 -7.315 466 1HG GLU 64 1HG GLU 64 -5.150 -9.585 -5.103 467 2HG GLU 64 2HG GLU 64 -6.294 -8.282 -5.377 468 H VAL 65 H VAL 65 -4.872 -7.030 -9.595 469 HA VAL 65 HA VAL 65 -6.448 -4.469 -9.026 470 HB VAL 65 HB VAL 65 -4.419 -3.291 -10.085 471 1HG1 VAL 65 1HG1 VAL 65 -2.904 -5.899 -9.424 472 2HG1 VAL 65 2HG1 VAL 65 -3.356 -5.413 -11.069 473 3HG1 VAL 65 3HG1 VAL 65 -2.238 -4.402 -10.122 474 1HG2 VAL 65 1HG2 VAL 65 -3.230 -3.097 -7.956 475 2HG2 VAL 65 2HG2 VAL 65 -4.945 -3.352 -7.552 476 3HG2 VAL 65 3HG2 VAL 65 -3.799 -4.691 -7.403 477 H ASP 66 H ASP 66 -8.125 -5.136 -10.435 478 HA ASP 66 HA ASP 66 -7.955 -4.110 -13.181 479 1HB ASP 66 1HB ASP 66 -6.864 -6.684 -13.067 480 2HB ASP 66 2HB ASP 66 -8.520 -7.021 -13.514 481 H GLU 67 H GLU 67 -9.611 -3.201 -11.629 482 HA GLU 67 HA GLU 67 -12.214 -4.659 -11.295 483 1HB GLU 67 1HB GLU 67 -11.188 -2.760 -9.775 484 2HB GLU 67 2HB GLU 67 -11.886 -1.649 -10.938 485 1HG GLU 67 1HG GLU 67 -14.086 -2.081 -10.258 486 2HG GLU 67 2HG GLU 67 -13.233 -2.368 -8.750 487 H ASP 68 H ASP 68 -10.678 -2.435 -13.535 488 HA ASP 68 HA ASP 68 -13.164 -1.799 -15.084 489 1HB ASP 68 1HB ASP 68 -12.011 -0.158 -16.136 490 2HB ASP 68 2HB ASP 68 -10.886 -0.366 -14.812 491 H GLY 69 H GLY 69 -10.382 -3.964 -15.334 492 1HA GLY 69 1HA GLY 69 -10.277 -6.156 -16.449 493 2HA GLY 69 2HA GLY 69 -11.901 -5.870 -17.087 494 H SER 70 H SER 70 -8.922 -3.932 -17.343 495 HA SER 70 HA SER 70 -9.227 -3.566 -20.324 496 1HB SER 70 1HB SER 70 -8.514 -1.602 -19.166 497 2HB SER 70 2HB SER 70 -7.115 -2.171 -20.080 498 HG SER 70 HG SER 70 -6.251 -3.015 -18.235 499 H GLY 71 H GLY 71 -7.232 -5.323 -17.988 500 1HA GLY 71 1HA GLY 71 -6.305 -7.618 -18.560 501 2HA GLY 71 2HA GLY 71 -6.123 -7.077 -20.235 502 H THR 72 H THR 72 -5.067 -4.462 -19.527 503 HA THR 72 HA THR 72 -2.222 -5.239 -18.715 504 HB THR 72 HB THR 72 -1.719 -2.915 -19.963 505 HG1 THR 72 HG1 THR 72 -4.108 -2.910 -20.401 506 1HG2 THR 72 1HG2 THR 72 -1.151 -4.098 -22.043 507 2HG2 THR 72 2HG2 THR 72 -0.681 -5.113 -20.662 508 3HG2 THR 72 3HG2 THR 72 -2.147 -5.502 -21.599 509 H ILE 73 H ILE 73 -1.141 -2.844 -18.156 510 HA ILE 73 HA ILE 73 -2.831 -1.522 -15.978 511 HB ILE 73 HB ILE 73 -0.040 -2.699 -15.566 512 1HG1 ILE 73 1HG1 ILE 73 -1.780 -4.376 -15.158 513 2HG1 ILE 73 2HG1 ILE 73 -1.103 -3.882 -13.621 514 1HG2 ILE 73 1HG2 ILE 73 0.049 -1.600 -13.331 515 2HG2 ILE 73 2HG2 ILE 73 -0.114 -0.367 -14.589 516 3HG2 ILE 73 3HG2 ILE 73 -1.525 -0.816 -13.601 517 1HD1 ILE 73 1HD1 ILE 73 -3.836 -2.953 -14.679 518 2HD1 ILE 73 2HD1 ILE 73 -3.516 -4.102 -13.363 519 3HD1 ILE 73 3HD1 ILE 73 -3.083 -2.387 -13.163 520 H ASP 74 H ASP 74 -3.100 0.144 -17.460 521 HA ASP 74 HA ASP 74 -0.890 1.553 -18.846 522 1HB ASP 74 1HB ASP 74 -3.435 3.082 -18.336 523 2HB ASP 74 2HB ASP 74 -2.451 2.969 -19.777 524 H PHE 75 H PHE 75 -0.807 4.063 -18.411 525 HA PHE 75 HA PHE 75 0.557 4.494 -15.844 526 1HB PHE 75 1HB PHE 75 1.054 5.775 -17.976 527 2HB PHE 75 2HB PHE 75 -0.468 6.613 -17.828 528 HD1 PHE 75 HD1 PHE 75 2.679 5.959 -15.798 529 HD2 PHE 75 HD2 PHE 75 -0.523 8.700 -16.668 530 HE1 PHE 75 HE1 PHE 75 3.728 7.658 -14.360 531 HE2 PHE 75 HE2 PHE 75 0.548 10.389 -15.231 532 HZ PHE 75 HZ PHE 75 2.667 9.873 -14.075 533 H GLU 76 H GLU 76 -2.701 5.051 -17.053 534 HA GLU 76 HA GLU 76 -3.712 6.824 -14.956 535 1HB GLU 76 1HB GLU 76 -5.755 5.051 -16.187 536 2HB GLU 76 2HB GLU 76 -5.715 6.790 -15.991 537 1HG GLU 76 1HG GLU 76 -4.750 7.164 -18.086 538 2HG GLU 76 2HG GLU 76 -3.787 5.703 -18.036 539 H GLU 77 H GLU 77 -3.943 3.296 -15.412 540 HA GLU 77 HA GLU 77 -5.393 2.734 -12.895 541 1HB GLU 77 1HB GLU 77 -5.606 1.193 -14.758 542 2HB GLU 77 2HB GLU 77 -3.886 0.881 -14.795 543 1HG GLU 77 1HG GLU 77 -5.189 0.240 -12.154 544 2HG GLU 77 2HG GLU 77 -3.964 -0.659 -13.041 545 H PHE 78 H PHE 78 -2.024 3.012 -13.795 546 HA PHE 78 HA PHE 78 -0.781 1.631 -11.522 547 1HB PHE 78 1HB PHE 78 0.357 3.916 -13.251 548 2HB PHE 78 2HB PHE 78 0.448 2.220 -13.651 549 HD1 PHE 78 HD1 PHE 78 2.089 0.743 -12.435 550 HD2 PHE 78 HD2 PHE 78 1.724 4.903 -11.399 551 HE1 PHE 78 HE1 PHE 78 4.213 0.632 -11.195 552 HE2 PHE 78 HE2 PHE 78 3.839 4.768 -10.148 553 HZ PHE 78 HZ PHE 78 5.094 2.641 -10.055 554 H LEU 79 H LEU 79 -1.854 4.956 -12.107 555 HA LEU 79 HA LEU 79 -0.793 6.142 -9.614 556 1HB LEU 79 1HB LEU 79 -2.377 8.068 -10.136 557 2HB LEU 79 2HB LEU 79 -3.021 7.152 -11.481 558 HG LEU 79 HG LEU 79 -0.620 7.104 -12.478 559 1HD1 LEU 79 1HD1 LEU 79 -0.098 9.347 -10.427 560 2HD1 LEU 79 2HD1 LEU 79 0.571 7.709 -10.307 561 3HD1 LEU 79 3HD1 LEU 79 1.027 8.754 -11.676 562 1HD2 LEU 79 1HD2 LEU 79 -0.845 9.316 -13.526 563 2HD2 LEU 79 2HD2 LEU 79 -2.492 8.691 -13.267 564 3HD2 LEU 79 3HD2 LEU 79 -1.839 9.924 -12.178 565 H VAL 80 H VAL 80 -3.820 4.619 -10.585 566 HA VAL 80 HA VAL 80 -5.399 5.241 -8.182 567 HB VAL 80 HB VAL 80 -5.894 2.801 -9.946 568 1HG1 VAL 80 1HG1 VAL 80 -8.298 3.219 -9.383 569 2HG1 VAL 80 2HG1 VAL 80 -7.347 2.954 -7.916 570 3HG1 VAL 80 3HG1 VAL 80 -7.837 4.605 -8.361 571 1HG2 VAL 80 1HG2 VAL 80 -6.844 5.675 -10.568 572 2HG2 VAL 80 2HG2 VAL 80 -5.639 4.767 -11.510 573 3HG2 VAL 80 3HG2 VAL 80 -7.313 4.196 -11.442 574 H MET 81 H MET 81 -3.119 2.714 -9.089 575 HA MET 81 HA MET 81 -3.521 0.852 -6.858 576 1HB MET 81 1HB MET 81 -1.395 1.235 -8.952 577 2HB MET 81 2HB MET 81 -0.849 0.488 -7.462 578 1HG MET 81 1HG MET 81 -3.359 -0.622 -8.822 579 2HG MET 81 2HG MET 81 -2.227 -1.441 -7.733 580 1HE MET 81 1HE MET 81 -3.337 -0.870 -11.272 581 2HE MET 81 2HE MET 81 -2.225 -2.008 -12.091 582 3HE MET 81 3HE MET 81 -3.232 -2.574 -10.728 583 H MET 82 H MET 82 -1.083 3.414 -7.387 584 HA MET 82 HA MET 82 0.278 3.160 -4.812 585 1HB MET 82 1HB MET 82 0.250 5.279 -6.983 586 2HB MET 82 2HB MET 82 0.909 5.723 -5.420 587 1HG MET 82 1HG MET 82 2.482 4.711 -7.332 588 2HG MET 82 2HG MET 82 1.884 3.149 -6.759 589 1HE MET 82 1HE MET 82 2.473 1.946 -4.825 590 2HE MET 82 2HE MET 82 1.864 2.989 -3.506 591 3HE MET 82 3HE MET 82 3.566 2.442 -3.494 592 H VAL 83 H VAL 83 -2.530 4.993 -5.893 593 HA VAL 83 HA VAL 83 -2.707 6.849 -3.585 594 HB VAL 83 HB VAL 83 -4.271 6.391 -6.058 595 1HG1 VAL 83 1HG1 VAL 83 -3.940 8.969 -4.401 596 2HG1 VAL 83 2HG1 VAL 83 -2.727 8.398 -5.555 597 3HG1 VAL 83 3HG1 VAL 83 -4.355 8.826 -6.128 598 1HG2 VAL 83 1HG2 VAL 83 -6.417 7.323 -5.358 599 2HG2 VAL 83 2HG2 VAL 83 -6.107 5.929 -4.297 600 3HG2 VAL 83 3HG2 VAL 83 -5.853 7.570 -3.685 601 NH1 ARG 84 NH1 ARG 84 -5.306 -1.880 -4.272 602 NH2 ARG 84 NH2 ARG 84 -7.115 -3.076 -4.947 603 H ARG 84 H ARG 84 -4.111 3.729 -4.495 604 HA ARG 84 HA ARG 84 -6.241 3.424 -2.539 605 1HB ARG 84 1HB ARG 84 -4.509 1.429 -4.064 606 2HB ARG 84 2HB ARG 84 -5.512 0.853 -2.742 607 1HG ARG 84 1HG ARG 84 -6.791 2.600 -4.896 608 2HG ARG 84 2HG ARG 84 -7.569 1.449 -3.807 609 1HD ARG 84 1HD ARG 84 -5.482 0.314 -5.701 610 2HD ARG 84 2HD ARG 84 -6.993 0.855 -6.436 611 HE ARG 84 HE ARG 84 -8.206 -0.803 -4.883 612 1HH1 ARG 84 1HH1 ARG 84 -8.074 -3.066 -5.311 613 2HH1 ARG 84 2HH1 ARG 84 -6.557 -3.903 -4.709 614 1HH2 ARG 84 1HH2 ARG 84 -4.853 -0.962 -4.197 615 2HH2 ARG 84 2HH2 ARG 84 -4.910 -2.785 -3.996 616 H GLN 85 H GLN 85 -2.795 2.479 -2.375 617 HA GLN 85 HA GLN 85 -2.911 1.373 0.377 618 1HB GLN 85 1HB GLN 85 -0.589 2.092 -1.484 619 2HB GLN 85 2HB GLN 85 -0.311 1.605 0.178 620 1HG GLN 85 1HG GLN 85 -2.062 -0.410 -0.801 621 2HG GLN 85 2HG GLN 85 -1.048 -0.054 -2.182 622 1HE2 GLN 85 1HE2 GLN 85 0.935 -2.646 -0.506 623 2HE2 GLN 85 2HE2 GLN 85 -0.577 -2.444 -1.525 624 H MET 86 H MET 86 -2.112 4.475 -1.098 625 HA MET 86 HA MET 86 -0.824 5.853 1.097 626 1HB MET 86 1HB MET 86 -1.953 6.640 -1.489 627 2HB MET 86 2HB MET 86 -2.435 7.806 -0.270 628 1HG MET 86 1HG MET 86 0.244 7.369 -1.485 629 2HG MET 86 2HG MET 86 0.327 7.446 0.283 630 1HE MET 86 1HE MET 86 -2.361 9.167 -2.183 631 2HE MET 86 2HE MET 86 -1.624 10.784 -2.375 632 3HE MET 86 3HE MET 86 -0.808 9.348 -3.058 633 H LYS 87 H LYS 87 -4.221 5.282 0.341 634 HA LYS 87 HA LYS 87 -5.649 7.008 2.116 635 1HB LYS 87 1HB LYS 87 -6.261 4.120 1.286 636 2HB LYS 87 2HB LYS 87 -7.275 4.956 2.453 637 1HG LYS 87 1HG LYS 87 -7.142 6.874 0.436 638 2HG LYS 87 2HG LYS 87 -7.062 5.397 -0.510 639 1HD LYS 87 1HD LYS 87 -9.365 5.598 -0.428 640 2HD LYS 87 2HD LYS 87 -9.141 4.686 1.061 641 1HE LYS 87 1HE LYS 87 -10.405 6.361 2.039 642 2HE LYS 87 2HE LYS 87 -8.891 7.274 2.069 643 1HZ LYS 87 1HZ LYS 87 -10.065 8.746 0.873 644 2HZ LYS 87 2HZ LYS 87 -11.216 7.661 0.396 645 3HZ LYS 87 3HZ LYS 87 -9.790 7.770 -0.431 646 H GLU 88 H GLU 88 -6.205 6.972 4.245 647 HA GLU 88 HA GLU 88 -4.326 6.093 6.244 648 1HB GLU 88 1HB GLU 88 -7.274 6.855 6.574 649 2HB GLU 88 2HB GLU 88 -5.892 7.930 6.660 650 1HG GLU 88 1HG GLU 88 -5.997 5.593 8.625 651 2HG GLU 88 2HG GLU 88 -5.248 7.169 8.821 652 H ASP 89 H ASP 89 -7.257 4.583 4.967 653 HA ASP 89 HA ASP 89 -7.919 2.271 4.832 654 1HB ASP 89 1HB ASP 89 -5.990 0.642 5.950 655 2HB ASP 89 2HB ASP 89 -5.011 2.034 5.549 656 H ALA 90 H ALA 90 -5.948 1.705 7.678 657 HA ALA 90 HA ALA 90 -8.007 2.399 9.728 658 1HB ALA 90 1HB ALA 90 -8.455 0.067 10.537 659 2HB ALA 90 2HB ALA 90 -9.051 0.283 8.879 660 3HB ALA 90 3HB ALA 90 -7.541 -0.615 9.168 Start of MODEL 35 Raw file had 660 H/Q atoms Start of MODEL 35 1 1H ALA 1 1H ALA 1 -23.930 5.518 -13.197 2 2H ALA 1 2H ALA 1 -24.458 5.823 -11.629 3 3H ALA 1 3H ALA 1 -22.900 5.248 -11.895 4 HA ALA 1 HA ALA 1 -24.869 3.715 -11.127 5 1HB ALA 1 1HB ALA 1 -26.441 3.876 -12.853 6 2HB ALA 1 2HB ALA 1 -25.514 2.485 -13.446 7 3HB ALA 1 3HB ALA 1 -25.227 4.104 -14.134 8 H SER 2 H SER 2 -23.134 3.180 -14.201 9 HA SER 2 HA SER 2 -21.254 1.179 -12.843 10 1HB SER 2 1HB SER 2 -22.828 0.845 -15.124 11 2HB SER 2 2HB SER 2 -21.247 1.212 -15.819 12 HG SER 2 HG SER 2 -20.390 -0.498 -14.865 13 H MET 3 H MET 3 -20.751 3.843 -12.397 14 HA MET 3 HA MET 3 -18.186 4.339 -14.002 15 1HB MET 3 1HB MET 3 -19.864 6.005 -14.684 16 2HB MET 3 2HB MET 3 -20.179 6.461 -13.020 17 1HG MET 3 1HG MET 3 -18.656 8.136 -13.357 18 2HG MET 3 2HG MET 3 -17.405 6.895 -13.202 19 1HE MET 3 1HE MET 3 -15.737 8.030 -14.365 20 2HE MET 3 2HE MET 3 -16.393 9.411 -15.293 21 3HE MET 3 3HE MET 3 -15.546 8.087 -16.146 22 H THR 4 H THR 4 -16.898 3.352 -12.505 23 HA THR 4 HA THR 4 -17.012 3.984 -9.588 24 HB THR 4 HB THR 4 -14.895 2.531 -9.485 25 HG1 THR 4 HG1 THR 4 -14.142 2.222 -11.354 26 1HG2 THR 4 1HG2 THR 4 -16.288 0.336 -10.131 27 2HG2 THR 4 2HG2 THR 4 -17.666 1.458 -10.176 28 3HG2 THR 4 3HG2 THR 4 -16.715 1.268 -8.680 29 H ASP 5 H ASP 5 -16.576 6.113 -9.332 30 HA ASP 5 HA ASP 5 -14.050 7.395 -10.377 31 1HB ASP 5 1HB ASP 5 -14.825 9.481 -9.488 32 2HB ASP 5 2HB ASP 5 -16.184 8.714 -10.277 33 H GLN 6 H GLN 6 -13.078 5.417 -9.133 34 HA GLN 6 HA GLN 6 -12.779 5.744 -6.137 35 1HB GLN 6 1HB GLN 6 -13.006 3.483 -7.580 36 2HB GLN 6 2HB GLN 6 -12.157 3.566 -6.048 37 1HG GLN 6 1HG GLN 6 -9.985 4.016 -7.511 38 2HG GLN 6 2HG GLN 6 -10.596 2.390 -7.301 39 1HE2 GLN 6 1HE2 GLN 6 -9.991 2.609 -10.949 40 2HE2 GLN 6 2HE2 GLN 6 -9.088 2.445 -9.359 41 H GLN 7 H GLN 7 -10.959 6.080 -9.142 42 HA GLN 7 HA GLN 7 -8.339 6.716 -7.765 43 1HB GLN 7 1HB GLN 7 -8.521 5.334 -9.960 44 2HB GLN 7 2HB GLN 7 -7.293 6.587 -9.859 45 1HG GLN 7 1HG GLN 7 -9.296 8.076 -11.017 46 2HG GLN 7 2HG GLN 7 -8.034 7.245 -11.913 47 1HE2 GLN 7 1HE2 GLN 7 -10.365 4.554 -12.943 48 2HE2 GLN 7 2HE2 GLN 7 -8.625 4.843 -12.438 49 H ALA 8 H ALA 8 -10.963 8.310 -9.499 50 HA ALA 8 HA ALA 8 -9.999 10.872 -10.184 51 1HB ALA 8 1HB ALA 8 -12.298 11.747 -9.794 52 2HB ALA 8 2HB ALA 8 -12.336 10.165 -10.596 53 3HB ALA 8 3HB ALA 8 -12.729 10.293 -8.862 54 H GLU 9 H GLU 9 -10.895 9.698 -6.955 55 HA GLU 9 HA GLU 9 -10.524 12.293 -5.552 56 1HB GLU 9 1HB GLU 9 -10.875 11.073 -3.442 57 2HB GLU 9 2HB GLU 9 -12.119 10.698 -4.626 58 1HG GLU 9 1HG GLU 9 -11.075 8.483 -5.139 59 2HG GLU 9 2HG GLU 9 -9.736 8.821 -4.048 60 H ALA 10 H ALA 10 -8.595 9.367 -6.054 61 HA ALA 10 HA ALA 10 -6.436 9.835 -4.175 62 1HB ALA 10 1HB ALA 10 -5.124 8.219 -5.540 63 2HB ALA 10 2HB ALA 10 -6.781 7.645 -5.274 64 3HB ALA 10 3HB ALA 10 -6.316 8.317 -6.858 65 NH1 ARG 11 NH1 ARG 11 -5.889 13.073 -14.130 66 NH2 ARG 11 NH2 ARG 11 -3.794 13.795 -13.630 67 H ARG 11 H ARG 11 -7.032 11.023 -7.436 68 HA ARG 11 HA ARG 11 -4.308 12.131 -7.975 69 1HB ARG 11 1HB ARG 11 -5.134 12.039 -10.076 70 2HB ARG 11 2HB ARG 11 -6.756 11.726 -9.475 71 1HG ARG 11 1HG ARG 11 -7.292 14.112 -9.310 72 2HG ARG 11 2HG ARG 11 -5.627 14.582 -9.661 73 1HD ARG 11 1HD ARG 11 -6.965 12.807 -11.725 74 2HD ARG 11 2HD ARG 11 -7.597 14.450 -11.597 75 HE ARG 11 HE ARG 11 -5.032 15.158 -11.915 76 1HH1 ARG 11 1HH1 ARG 11 -3.186 14.309 -12.983 77 2HH1 ARG 11 2HH1 ARG 11 -3.514 13.334 -14.503 78 1HH2 ARG 11 1HH2 ARG 11 -6.865 12.974 -13.832 79 2HH2 ARG 11 2HH2 ARG 11 -5.475 12.729 -15.004 80 H ALA 12 H ALA 12 -7.395 13.311 -6.733 81 HA ALA 12 HA ALA 12 -6.787 16.212 -6.707 82 1HB ALA 12 1HB ALA 12 -8.775 16.417 -5.228 83 2HB ALA 12 2HB ALA 12 -9.124 15.401 -6.641 84 3HB ALA 12 3HB ALA 12 -8.862 14.648 -5.048 85 H PHE 13 H PHE 13 -6.244 13.497 -4.529 86 HA PHE 13 HA PHE 13 -5.493 14.874 -2.095 87 1HB PHE 13 1HB PHE 13 -5.942 12.355 -2.485 88 2HB PHE 13 2HB PHE 13 -4.293 12.207 -3.035 89 HD1 PHE 13 HD1 PHE 13 -5.318 10.671 -0.683 90 HD2 PHE 13 HD2 PHE 13 -3.584 14.610 -0.779 91 HE1 PHE 13 HE1 PHE 13 -4.595 10.422 1.657 92 HE2 PHE 13 HE2 PHE 13 -2.870 14.341 1.560 93 HZ PHE 13 HZ PHE 13 -3.375 12.254 2.782 94 H LEU 14 H LEU 14 -3.325 13.410 -4.546 95 HA LEU 14 HA LEU 14 -1.049 15.282 -3.696 96 1HB LEU 14 1HB LEU 14 0.084 13.337 -3.503 97 2HB LEU 14 2HB LEU 14 0.216 13.408 -5.247 98 HG LEU 14 HG LEU 14 -1.977 11.842 -3.750 99 1HD1 LEU 14 1HD1 LEU 14 -2.461 10.793 -5.963 100 2HD1 LEU 14 2HD1 LEU 14 -2.702 12.548 -6.035 101 3HD1 LEU 14 3HD1 LEU 14 -1.239 11.824 -6.750 102 1HD2 LEU 14 1HD2 LEU 14 0.601 10.774 -5.087 103 2HD2 LEU 14 2HD2 LEU 14 0.252 10.784 -3.341 104 3HD2 LEU 14 3HD2 LEU 14 -0.716 9.774 -4.425 105 H SER 15 H SER 15 -0.610 16.871 -4.995 106 HA SER 15 HA SER 15 -1.968 17.347 -7.563 107 1HB SER 15 1HB SER 15 -1.039 19.491 -7.523 108 2HB SER 15 2HB SER 15 0.465 18.974 -6.756 109 HG SER 15 HG SER 15 -1.998 19.583 -5.663 110 H GLU 16 H GLU 16 0.171 18.556 -9.013 111 HA GLU 16 HA GLU 16 1.160 16.233 -10.574 112 1HB GLU 16 1HB GLU 16 1.837 19.199 -10.950 113 2HB GLU 16 2HB GLU 16 0.402 18.421 -11.589 114 1HG GLU 16 1HG GLU 16 2.153 16.758 -12.773 115 2HG GLU 16 2HG GLU 16 3.323 18.018 -12.423 116 H GLU 17 H GLU 17 2.470 18.505 -8.244 117 HA GLU 17 HA GLU 17 5.352 17.915 -8.713 118 1HB GLU 17 1HB GLU 17 5.544 19.032 -6.294 119 2HB GLU 17 2HB GLU 17 3.880 19.501 -6.583 120 1HG GLU 17 1HG GLU 17 4.475 20.881 -8.490 121 2HG GLU 17 2HG GLU 17 5.625 21.250 -7.217 122 H MET 18 H MET 18 2.882 16.894 -6.368 123 HA MET 18 HA MET 18 4.614 15.051 -4.786 124 1HB MET 18 1HB MET 18 2.372 14.108 -3.947 125 2HB MET 18 2HB MET 18 1.561 15.280 -4.968 126 1HG MET 18 1HG MET 18 3.104 17.068 -3.636 127 2HG MET 18 2HG MET 18 1.571 16.477 -2.973 128 1HE MET 18 1HE MET 18 1.408 14.298 -1.288 129 2HE MET 18 2HE MET 18 2.430 14.585 0.151 130 3HE MET 18 3HE MET 18 1.466 15.925 -0.539 131 H ILE 19 H ILE 19 2.488 14.854 -7.597 132 HA ILE 19 HA ILE 19 2.248 11.938 -7.809 133 HB ILE 19 HB ILE 19 1.664 14.245 -9.644 134 1HG1 ILE 19 1HG1 ILE 19 -0.057 11.741 -9.188 135 2HG1 ILE 19 2HG1 ILE 19 0.041 12.975 -7.950 136 1HG2 ILE 19 1HG2 ILE 19 1.209 12.784 -11.631 137 2HG2 ILE 19 2HG2 ILE 19 2.923 12.737 -11.221 138 3HG2 ILE 19 3HG2 ILE 19 1.875 11.372 -10.774 139 1HD1 ILE 19 1HD1 ILE 19 -1.018 13.462 -10.797 140 2HD1 ILE 19 2HD1 ILE 19 -1.948 13.400 -9.285 141 3HD1 ILE 19 3HD1 ILE 19 -0.800 14.732 -9.561 142 H ALA 20 H ALA 20 4.618 14.321 -8.889 143 HA ALA 20 HA ALA 20 6.160 12.811 -10.793 144 1HB ALA 20 1HB ALA 20 8.014 14.408 -10.321 145 2HB ALA 20 2HB ALA 20 6.456 15.246 -10.465 146 3HB ALA 20 3HB ALA 20 7.183 14.988 -8.859 147 H GLU 21 H GLU 21 6.317 12.893 -7.252 148 HA GLU 21 HA GLU 21 8.863 11.590 -6.780 149 1HB GLU 21 1HB GLU 21 6.450 11.232 -4.941 150 2HB GLU 21 2HB GLU 21 8.150 11.181 -4.515 151 1HG GLU 21 1HG GLU 21 7.492 13.305 -3.724 152 2HG GLU 21 2HG GLU 21 6.363 13.584 -5.038 153 H PHE 22 H PHE 22 5.647 10.345 -7.496 154 HA PHE 22 HA PHE 22 6.400 7.450 -7.155 155 1HB PHE 22 1HB PHE 22 3.764 8.561 -8.289 156 2HB PHE 22 2HB PHE 22 4.074 6.940 -7.728 157 HD1 PHE 22 HD1 PHE 22 5.094 6.855 -5.138 158 HD2 PHE 22 HD2 PHE 22 2.542 9.922 -6.753 159 HE1 PHE 22 HE1 PHE 22 4.482 7.558 -2.862 160 HE2 PHE 22 HE2 PHE 22 1.938 10.607 -4.467 161 HZ PHE 22 HZ PHE 22 2.916 9.440 -2.520 162 H LYS 23 H LYS 23 6.081 9.835 -9.700 163 HA LYS 23 HA LYS 23 5.791 8.199 -12.081 164 1HB LYS 23 1HB LYS 23 6.894 10.975 -11.562 165 2HB LYS 23 2HB LYS 23 7.353 10.219 -13.072 166 1HG LYS 23 1HG LYS 23 4.393 10.214 -12.380 167 2HG LYS 23 2HG LYS 23 5.184 10.247 -13.946 168 1HD LYS 23 1HD LYS 23 4.507 12.547 -12.112 169 2HD LYS 23 2HD LYS 23 6.050 12.691 -12.961 170 1HE LYS 23 1HE LYS 23 4.474 13.724 -14.454 171 2HE LYS 23 2HE LYS 23 4.740 12.127 -15.169 172 1HZ LYS 23 1HZ LYS 23 2.684 11.566 -13.589 173 2HZ LYS 23 2HZ LYS 23 2.483 12.154 -15.120 174 3HZ LYS 23 3HZ LYS 23 2.364 13.170 -13.822 175 H ALA 24 H ALA 24 8.660 9.166 -10.226 176 HA ALA 24 HA ALA 24 10.732 8.236 -12.065 177 1HB ALA 24 1HB ALA 24 12.273 8.397 -10.120 178 2HB ALA 24 2HB ALA 24 11.223 9.822 -10.227 179 3HB ALA 24 3HB ALA 24 10.897 8.568 -9.004 180 H ALA 25 H ALA 25 9.782 6.759 -8.943 181 HA ALA 25 HA ALA 25 11.187 4.231 -9.279 182 1HB ALA 25 1HB ALA 25 9.848 3.440 -7.339 183 2HB ALA 25 2HB ALA 25 10.474 5.076 -7.061 184 3HB ALA 25 3HB ALA 25 8.757 4.840 -7.477 185 H PHE 26 H PHE 26 8.096 5.354 -10.436 186 HA PHE 26 HA PHE 26 6.655 2.810 -10.734 187 1HB PHE 26 1HB PHE 26 5.334 4.818 -10.826 188 2HB PHE 26 2HB PHE 26 6.275 5.519 -12.116 189 HD1 PHE 26 HD1 PHE 26 3.424 3.407 -11.276 190 HD2 PHE 26 HD2 PHE 26 6.143 4.326 -14.481 191 HE1 PHE 26 HE1 PHE 26 1.796 2.556 -12.915 192 HE2 PHE 26 HE2 PHE 26 4.502 3.470 -16.106 193 HZ PHE 26 HZ PHE 26 2.337 2.570 -15.327 194 H ASP 27 H ASP 27 8.855 4.654 -12.815 195 HA ASP 27 HA ASP 27 8.741 2.956 -15.200 196 1HB ASP 27 1HB ASP 27 11.232 3.964 -15.499 197 2HB ASP 27 2HB ASP 27 10.714 5.040 -14.223 198 H MET 28 H MET 28 10.590 2.842 -12.206 199 HA MET 28 HA MET 28 12.615 0.889 -12.713 200 1HB MET 28 1HB MET 28 10.982 0.778 -10.122 201 2HB MET 28 2HB MET 28 12.077 2.105 -10.466 202 1HG MET 28 1HG MET 28 14.031 0.753 -10.299 203 2HG MET 28 2HG MET 28 13.161 -0.748 -10.659 204 1HE MET 28 1HE MET 28 11.884 2.144 -8.212 205 2HE MET 28 2HE MET 28 12.568 1.602 -6.650 206 3HE MET 28 3HE MET 28 13.657 2.164 -7.953 207 H PHE 29 H PHE 29 9.161 0.412 -12.031 208 HA PHE 29 HA PHE 29 9.240 -2.564 -12.026 209 1HB PHE 29 1HB PHE 29 6.765 -0.767 -12.369 210 2HB PHE 29 2HB PHE 29 6.760 -2.468 -11.989 211 HD1 PHE 29 HD1 PHE 29 9.492 -1.641 -10.107 212 HD2 PHE 29 HD2 PHE 29 5.296 -0.683 -10.207 213 HE1 PHE 29 HE1 PHE 29 9.537 -1.138 -7.698 214 HE2 PHE 29 HE2 PHE 29 5.363 -0.193 -7.797 215 HZ PHE 29 HZ PHE 29 7.477 -0.413 -6.541 216 H ASP 30 H ASP 30 8.149 -0.040 -14.306 217 HA ASP 30 HA ASP 30 7.250 -1.621 -16.531 218 1HB ASP 30 1HB ASP 30 7.331 1.030 -16.207 219 2HB ASP 30 2HB ASP 30 8.844 0.913 -17.075 220 H ALA 31 H ALA 31 8.198 -2.904 -17.939 221 HA ALA 31 HA ALA 31 11.264 -3.060 -18.082 222 1HB ALA 31 1HB ALA 31 11.019 -5.523 -18.410 223 2HB ALA 31 2HB ALA 31 10.328 -4.994 -16.863 224 3HB ALA 31 3HB ALA 31 9.253 -5.402 -18.226 225 H ASP 32 H ASP 32 8.183 -3.325 -19.791 226 HA ASP 32 HA ASP 32 9.444 -3.851 -22.483 227 1HB ASP 32 1HB ASP 32 7.128 -4.809 -21.634 228 2HB ASP 32 2HB ASP 32 7.389 -4.417 -23.318 229 H GLY 33 H GLY 33 7.986 -1.227 -20.645 230 1HA GLY 33 1HA GLY 33 8.472 1.171 -20.849 231 2HA GLY 33 2HA GLY 33 9.436 0.803 -22.261 232 H GLY 34 H GLY 34 6.060 0.933 -21.116 233 1HA GLY 34 1HA GLY 34 4.174 0.773 -23.010 234 2HA GLY 34 2HA GLY 34 5.155 1.982 -23.851 235 H GLY 35 H GLY 35 3.623 1.423 -20.681 236 1HA GLY 35 1HA GLY 35 3.691 4.187 -19.707 237 2HA GLY 35 2HA GLY 35 2.142 3.952 -20.528 238 H ASP 36 H ASP 36 1.595 1.312 -19.974 239 HA ASP 36 HA ASP 36 1.053 1.335 -16.972 240 1HB ASP 36 1HB ASP 36 -0.433 -0.767 -18.354 241 2HB ASP 36 2HB ASP 36 -1.009 0.552 -17.362 242 H ILE 37 H ILE 37 1.058 -0.799 -15.912 243 HA ILE 37 HA ILE 37 3.574 -2.357 -16.653 244 HB ILE 37 HB ILE 37 2.377 -3.050 -14.047 245 1HG1 ILE 37 1HG1 ILE 37 2.843 -0.145 -14.565 246 2HG1 ILE 37 2HG1 ILE 37 1.919 -0.938 -13.304 247 1HG2 ILE 37 1HG2 ILE 37 4.729 -3.075 -13.312 248 2HG2 ILE 37 2HG2 ILE 37 4.580 -3.905 -14.867 249 3HG2 ILE 37 3HG2 ILE 37 5.252 -2.259 -14.805 250 1HD1 ILE 37 1HD1 ILE 37 4.968 -0.523 -13.230 251 2HD1 ILE 37 2HD1 ILE 37 3.736 0.309 -12.258 252 3HD1 ILE 37 3HD1 ILE 37 4.036 -1.426 -12.005 253 H SER 38 H SER 38 3.129 -4.714 -15.361 254 HA SER 38 HA SER 38 0.497 -5.936 -16.181 255 1HB SER 38 1HB SER 38 2.018 -5.806 -18.293 256 2HB SER 38 2HB SER 38 1.199 -7.326 -17.930 257 HG SER 38 HG SER 38 3.028 -8.237 -17.558 258 H THR 39 H THR 39 1.372 -8.584 -16.215 259 HA THR 39 HA THR 39 1.860 -9.101 -13.288 260 HB THR 39 HB THR 39 1.721 -11.621 -14.532 261 HG1 THR 39 HG1 THR 39 0.307 -11.517 -16.054 262 1HG2 THR 39 1HG2 THR 39 -0.509 -11.833 -13.527 263 2HG2 THR 39 2HG2 THR 39 0.547 -10.966 -12.389 264 3HG2 THR 39 3HG2 THR 39 -0.664 -10.071 -13.345 265 H LYS 40 H LYS 40 3.165 -10.698 -16.220 266 HA LYS 40 HA LYS 40 5.564 -11.765 -15.163 267 1HB LYS 40 1HB LYS 40 5.008 -10.705 -17.976 268 2HB LYS 40 2HB LYS 40 4.775 -12.343 -17.423 269 1HG LYS 40 1HG LYS 40 7.281 -10.813 -18.210 270 2HG LYS 40 2HG LYS 40 7.503 -12.007 -16.959 271 1HD LYS 40 1HD LYS 40 7.054 -12.421 -19.911 272 2HD LYS 40 2HD LYS 40 8.062 -13.256 -18.765 273 1HE LYS 40 1HE LYS 40 6.648 -14.986 -19.038 274 2HE LYS 40 2HE LYS 40 5.685 -14.190 -17.801 275 1HZ LYS 40 1HZ LYS 40 5.150 -14.533 -20.630 276 2HZ LYS 40 2HZ LYS 40 4.777 -13.022 -20.076 277 3HZ LYS 40 3HZ LYS 40 4.091 -14.351 -19.375 278 H GLU 41 H GLU 41 4.898 -8.490 -16.338 279 HA GLU 41 HA GLU 41 7.580 -7.387 -16.477 280 1HB GLU 41 1HB GLU 41 6.465 -5.120 -16.136 281 2HB GLU 41 2HB GLU 41 4.942 -5.956 -15.921 282 1HG GLU 41 1HG GLU 41 6.516 -6.496 -18.483 283 2HG GLU 41 2HG GLU 41 4.792 -6.600 -18.196 284 H LEU 42 H LEU 42 5.188 -7.308 -13.822 285 HA LEU 42 HA LEU 42 6.811 -5.798 -11.893 286 1HB LEU 42 1HB LEU 42 4.595 -7.796 -11.167 287 2HB LEU 42 2HB LEU 42 4.242 -6.224 -11.850 288 HG LEU 42 HG LEU 42 6.010 -6.252 -9.382 289 1HD1 LEU 42 1HD1 LEU 42 2.968 -6.690 -9.144 290 2HD1 LEU 42 2HD1 LEU 42 4.167 -7.972 -8.912 291 3HD1 LEU 42 3HD1 LEU 42 4.149 -6.569 -7.814 292 1HD2 LEU 42 1HD2 LEU 42 4.818 -4.160 -8.834 293 2HD2 LEU 42 2HD2 LEU 42 5.307 -4.083 -10.544 294 3HD2 LEU 42 3HD2 LEU 42 3.622 -4.441 -10.126 295 H GLY 43 H GLY 43 6.448 -9.217 -12.669 296 1HA GLY 43 1HA GLY 43 7.570 -10.580 -10.429 297 2HA GLY 43 2HA GLY 43 7.760 -11.159 -12.088 298 H THR 44 H THR 44 9.196 -8.723 -12.941 299 HA THR 44 HA THR 44 11.924 -9.749 -12.531 300 HB THR 44 HB THR 44 10.897 -7.262 -13.968 301 HG1 THR 44 HG1 THR 44 12.354 -9.251 -15.192 302 1HG2 THR 44 1HG2 THR 44 13.177 -6.962 -14.950 303 2HG2 THR 44 2HG2 THR 44 13.185 -6.648 -13.202 304 3HG2 THR 44 3HG2 THR 44 13.834 -8.184 -13.833 305 H VAL 45 H VAL 45 10.244 -6.784 -11.484 306 HA VAL 45 HA VAL 45 12.502 -5.560 -10.062 307 HB VAL 45 HB VAL 45 9.604 -4.945 -10.353 308 1HG1 VAL 45 1HG1 VAL 45 9.491 -3.342 -8.443 309 2HG1 VAL 45 2HG1 VAL 45 9.677 -4.996 -7.847 310 3HG1 VAL 45 3HG1 VAL 45 11.076 -3.899 -7.846 311 1HG2 VAL 45 1HG2 VAL 45 12.090 -3.115 -10.179 312 2HG2 VAL 45 2HG2 VAL 45 11.328 -3.695 -11.679 313 3HG2 VAL 45 3HG2 VAL 45 10.438 -2.600 -10.612 314 H MET 46 H MET 46 9.934 -7.813 -9.174 315 HA MET 46 HA MET 46 10.321 -7.697 -6.225 316 1HB MET 46 1HB MET 46 8.170 -8.458 -7.508 317 2HB MET 46 2HB MET 46 8.618 -9.253 -6.010 318 1HG MET 46 1HG MET 46 9.883 -10.947 -7.812 319 2HG MET 46 2HG MET 46 8.525 -10.382 -8.799 320 1HE MET 46 1HE MET 46 5.901 -10.327 -7.813 321 2HE MET 46 2HE MET 46 5.442 -11.145 -6.291 322 3HE MET 46 3HE MET 46 6.419 -9.649 -6.237 323 NH1 ARG 47 NH1 ARG 47 14.574 -12.137 -14.000 324 NH2 ARG 47 NH2 ARG 47 14.314 -14.384 -13.778 325 H ARG 47 H ARG 47 11.523 -9.640 -8.908 326 HA ARG 47 HA ARG 47 12.775 -11.861 -7.533 327 1HB ARG 47 1HB ARG 47 13.352 -10.494 -10.195 328 2HB ARG 47 2HB ARG 47 12.648 -12.072 -9.870 329 1HG ARG 47 1HG ARG 47 14.747 -13.096 -9.356 330 2HG ARG 47 2HG ARG 47 15.541 -11.554 -9.034 331 1HD ARG 47 1HD ARG 47 14.966 -11.077 -11.659 332 2HD ARG 47 2HD ARG 47 16.423 -11.912 -11.145 333 HE ARG 47 HE ARG 47 14.931 -14.132 -11.474 334 1HH1 ARG 47 1HH1 ARG 47 14.813 -11.245 -13.552 335 2HH1 ARG 47 2HH1 ARG 47 14.305 -12.280 -14.980 336 1HH2 ARG 47 1HH2 ARG 47 14.354 -15.206 -13.166 337 2HH2 ARG 47 2HH2 ARG 47 14.064 -14.370 -14.773 338 H MET 48 H MET 48 14.095 -8.677 -8.454 339 HA MET 48 HA MET 48 16.783 -8.828 -7.490 340 1HB MET 48 1HB MET 48 14.888 -6.551 -7.922 341 2HB MET 48 2HB MET 48 16.118 -6.235 -6.711 342 1HG MET 48 1HG MET 48 17.579 -7.405 -8.882 343 2HG MET 48 2HG MET 48 16.397 -6.328 -9.645 344 1HE MET 48 1HE MET 48 15.863 -4.070 -7.364 345 2HE MET 48 2HE MET 48 17.085 -2.853 -7.835 346 3HE MET 48 3HE MET 48 16.127 -3.686 -9.094 347 H LEU 49 H LEU 49 13.769 -8.341 -5.710 348 HA LEU 49 HA LEU 49 14.618 -7.683 -3.068 349 1HB LEU 49 1HB LEU 49 12.475 -9.824 -3.508 350 2HB LEU 49 2HB LEU 49 12.193 -8.175 -4.021 351 HG LEU 49 HG LEU 49 13.048 -8.694 -1.131 352 1HD1 LEU 49 1HD1 LEU 49 11.731 -6.619 -0.691 353 2HD1 LEU 49 2HD1 LEU 49 12.969 -6.324 -1.926 354 3HD1 LEU 49 3HD1 LEU 49 11.265 -6.518 -2.408 355 1HD2 LEU 49 1HD2 LEU 49 10.144 -8.954 -2.166 356 2HD2 LEU 49 2HD2 LEU 49 11.128 -10.262 -1.465 357 3HD2 LEU 49 3HD2 LEU 49 10.635 -8.896 -0.455 358 H GLY 50 H GLY 50 13.868 -11.045 -4.023 359 1HA GLY 50 1HA GLY 50 14.877 -12.557 -1.910 360 2HA GLY 50 2HA GLY 50 16.388 -12.121 -2.720 361 H GLN 51 H GLN 51 13.238 -13.648 -3.259 362 HA GLN 51 HA GLN 51 14.543 -15.770 -5.015 363 1HB GLN 51 1HB GLN 51 12.904 -17.272 -4.329 364 2HB GLN 51 2HB GLN 51 13.137 -16.293 -2.892 365 1HG GLN 51 1HG GLN 51 11.065 -14.872 -3.912 366 2HG GLN 51 2HG GLN 51 10.747 -16.355 -4.783 367 1HE2 GLN 51 1HE2 GLN 51 9.528 -18.101 -1.866 368 2HE2 GLN 51 2HE2 GLN 51 9.940 -18.153 -3.653 369 H ASN 52 H ASN 52 13.500 -16.449 -6.960 370 HA ASN 52 HA ASN 52 12.070 -14.261 -8.454 371 1HB ASN 52 1HB ASN 52 13.802 -14.658 -9.882 372 2HB ASN 52 2HB ASN 52 13.086 -16.244 -10.261 373 1HD2 ASN 52 1HD2 ASN 52 16.090 -17.780 -9.048 374 2HD2 ASN 52 2HD2 ASN 52 14.753 -17.668 -10.303 375 HA PRO 53 HA PRO 53 8.603 -17.543 -7.721 376 1HB PRO 53 1HB PRO 53 7.022 -15.077 -8.586 377 2HB PRO 53 2HB PRO 53 6.726 -16.263 -7.306 378 1HG PRO 53 1HG PRO 53 7.760 -13.801 -6.733 379 2HG PRO 53 2HG PRO 53 8.160 -15.223 -5.742 380 1HD PRO 53 1HD PRO 53 10.433 -14.767 -6.440 381 2HD PRO 53 2HD PRO 53 9.893 -13.768 -7.820 382 H THR 54 H THR 54 6.973 -18.345 -9.255 383 HA THR 54 HA THR 54 8.070 -18.563 -12.042 384 HB THR 54 HB THR 54 6.827 -20.415 -10.466 385 HG1 THR 54 HG1 THR 54 6.751 -21.617 -12.354 386 1HG2 THR 54 1HG2 THR 54 4.656 -21.066 -11.456 387 2HG2 THR 54 2HG2 THR 54 4.521 -19.451 -10.722 388 3HG2 THR 54 3HG2 THR 54 4.644 -19.619 -12.492 389 H LYS 55 H LYS 55 6.162 -18.657 -13.762 390 HA LYS 55 HA LYS 55 5.322 -15.799 -14.059 391 1HB LYS 55 1HB LYS 55 4.906 -18.185 -15.972 392 2HB LYS 55 2HB LYS 55 4.538 -16.516 -16.359 393 1HG LYS 55 1HG LYS 55 6.575 -16.634 -17.367 394 2HG LYS 55 2HG LYS 55 7.135 -16.101 -15.792 395 1HD LYS 55 1HD LYS 55 7.992 -18.296 -15.213 396 2HD LYS 55 2HD LYS 55 8.434 -18.043 -16.895 397 1HE LYS 55 1HE LYS 55 6.471 -20.006 -15.723 398 2HE LYS 55 2HE LYS 55 6.013 -19.328 -17.283 399 1HZ LYS 55 1HZ LYS 55 7.463 -21.440 -17.203 400 2HZ LYS 55 2HZ LYS 55 8.738 -20.438 -16.885 401 3HZ LYS 55 3HZ LYS 55 7.889 -20.273 -18.293 402 H GLU 56 H GLU 56 3.847 -18.974 -13.575 403 HA GLU 56 HA GLU 56 1.026 -18.183 -13.973 404 1HB GLU 56 1HB GLU 56 2.476 -20.650 -13.170 405 2HB GLU 56 2HB GLU 56 0.933 -20.474 -12.358 406 1HG GLU 56 1HG GLU 56 0.628 -21.793 -14.405 407 2HG GLU 56 2HG GLU 56 -0.238 -20.276 -14.582 408 H GLU 57 H GLU 57 3.260 -18.341 -11.252 409 HA GLU 57 HA GLU 57 1.389 -18.120 -9.013 410 1HB GLU 57 1HB GLU 57 4.165 -16.911 -8.837 411 2HB GLU 57 2HB GLU 57 3.984 -18.640 -9.044 412 1HG GLU 57 1HG GLU 57 4.182 -18.417 -6.697 413 2HG GLU 57 2HG GLU 57 3.268 -16.916 -6.629 414 H LEU 58 H LEU 58 2.930 -15.749 -11.129 415 HA LEU 58 HA LEU 58 2.263 -13.333 -9.613 416 1HB LEU 58 1HB LEU 58 3.210 -13.881 -12.455 417 2HB LEU 58 2HB LEU 58 2.643 -12.275 -12.044 418 HG LEU 58 HG LEU 58 4.783 -13.660 -10.328 419 1HD1 LEU 58 1HD1 LEU 58 4.405 -10.654 -10.940 420 2HD1 LEU 58 2HD1 LEU 58 3.721 -11.448 -9.515 421 3HD1 LEU 58 3HD1 LEU 58 5.487 -11.379 -9.724 422 1HD2 LEU 58 1HD2 LEU 58 6.571 -12.760 -11.770 423 2HD2 LEU 58 2HD2 LEU 58 5.493 -13.766 -12.769 424 3HD2 LEU 58 3HD2 LEU 58 5.380 -11.998 -12.855 425 H ASP 59 H ASP 59 0.654 -15.204 -12.131 426 HA ASP 59 HA ASP 59 -1.409 -13.393 -13.006 427 1HB ASP 59 1HB ASP 59 -1.499 -16.457 -12.851 428 2HB ASP 59 2HB ASP 59 -1.002 -15.479 -14.213 429 H ALA 60 H ALA 60 -1.189 -15.449 -10.153 430 HA ALA 60 HA ALA 60 -4.015 -15.129 -9.268 431 1HB ALA 60 1HB ALA 60 -3.280 -16.338 -7.220 432 2HB ALA 60 2HB ALA 60 -2.739 -17.168 -8.692 433 3HB ALA 60 3HB ALA 60 -1.577 -16.223 -7.725 434 H ILE 61 H ILE 61 -0.923 -13.570 -8.639 435 HA ILE 61 HA ILE 61 -1.622 -12.106 -6.190 436 HB ILE 61 HB ILE 61 0.657 -11.978 -8.150 437 1HG1 ILE 61 1HG1 ILE 61 1.407 -13.322 -6.438 438 2HG1 ILE 61 2HG1 ILE 61 0.209 -12.741 -5.302 439 1HG2 ILE 61 1HG2 ILE 61 1.639 -9.910 -7.118 440 2HG2 ILE 61 2HG2 ILE 61 0.122 -9.535 -7.933 441 3HG2 ILE 61 3HG2 ILE 61 0.158 -9.663 -6.159 442 1HD1 ILE 61 1HD1 ILE 61 1.566 -10.753 -4.703 443 2HD1 ILE 61 2HD1 ILE 61 2.517 -12.242 -4.520 444 3HD1 ILE 61 3HD1 ILE 61 2.788 -11.190 -5.929 445 H ILE 62 H ILE 62 -1.853 -11.432 -9.653 446 HA ILE 62 HA ILE 62 -2.701 -8.582 -9.371 447 HB ILE 62 HB ILE 62 -2.384 -10.469 -11.719 448 1HG1 ILE 62 1HG1 ILE 62 -0.354 -9.281 -11.146 449 2HG1 ILE 62 2HG1 ILE 62 -1.191 -7.765 -10.889 450 1HG2 ILE 62 1HG2 ILE 62 -3.343 -8.782 -13.313 451 2HG2 ILE 62 2HG2 ILE 62 -4.589 -9.355 -12.206 452 3HG2 ILE 62 3HG2 ILE 62 -3.855 -7.756 -11.950 453 1HD1 ILE 62 1HD1 ILE 62 -1.596 -7.438 -13.314 454 2HD1 ILE 62 2HD1 ILE 62 0.128 -7.730 -13.000 455 3HD1 ILE 62 3HD1 ILE 62 -0.879 -9.033 -13.672 456 H GLU 63 H GLU 63 -4.265 -11.685 -10.205 457 HA GLU 63 HA GLU 63 -6.993 -10.917 -10.497 458 1HB GLU 63 1HB GLU 63 -5.756 -13.328 -10.507 459 2HB GLU 63 2HB GLU 63 -6.486 -13.445 -8.918 460 1HG GLU 63 1HG GLU 63 -8.302 -12.577 -11.204 461 2HG GLU 63 2HG GLU 63 -7.728 -14.236 -11.226 462 H GLU 64 H GLU 64 -5.057 -11.296 -7.576 463 HA GLU 64 HA GLU 64 -7.259 -11.053 -5.616 464 1HB GLU 64 1HB GLU 64 -5.054 -10.410 -4.121 465 2HB GLU 64 2HB GLU 64 -4.257 -11.204 -5.464 466 1HG GLU 64 1HG GLU 64 -6.617 -12.731 -4.381 467 2HG GLU 64 2HG GLU 64 -5.034 -13.311 -4.868 468 H VAL 65 H VAL 65 -4.790 -8.846 -6.929 469 HA VAL 65 HA VAL 65 -6.126 -6.448 -5.594 470 HB VAL 65 HB VAL 65 -3.834 -6.476 -5.017 471 1HG1 VAL 65 1HG1 VAL 65 -1.916 -6.617 -6.616 472 2HG1 VAL 65 2HG1 VAL 65 -2.936 -8.063 -6.727 473 3HG1 VAL 65 3HG1 VAL 65 -3.035 -6.810 -7.988 474 1HG2 VAL 65 1HG2 VAL 65 -4.091 -4.403 -7.303 475 2HG2 VAL 65 2HG2 VAL 65 -4.591 -4.170 -5.611 476 3HG2 VAL 65 3HG2 VAL 65 -2.878 -4.372 -6.000 477 H ASP 66 H ASP 66 -7.896 -6.626 -7.092 478 HA ASP 66 HA ASP 66 -7.669 -4.888 -9.456 479 1HB ASP 66 1HB ASP 66 -7.362 -7.796 -9.990 480 2HB ASP 66 2HB ASP 66 -8.695 -7.093 -10.877 481 H GLU 67 H GLU 67 -9.192 -4.062 -7.893 482 HA GLU 67 HA GLU 67 -11.835 -5.240 -7.320 483 1HB GLU 67 1HB GLU 67 -12.531 -3.148 -6.470 484 2HB GLU 67 2HB GLU 67 -10.840 -3.313 -6.038 485 1HG GLU 67 1HG GLU 67 -11.410 -1.797 -8.607 486 2HG GLU 67 2HG GLU 67 -11.962 -1.039 -7.124 487 H ASP 68 H ASP 68 -10.464 -3.357 -9.964 488 HA ASP 68 HA ASP 68 -13.063 -3.046 -11.452 489 1HB ASP 68 1HB ASP 68 -11.385 -2.226 -13.348 490 2HB ASP 68 2HB ASP 68 -11.845 -1.198 -12.010 491 H GLY 69 H GLY 69 -9.954 -4.761 -11.935 492 1HA GLY 69 1HA GLY 69 -9.798 -7.193 -12.580 493 2HA GLY 69 2HA GLY 69 -11.434 -7.084 -13.246 494 H SER 70 H SER 70 -8.856 -4.730 -13.768 495 HA SER 70 HA SER 70 -9.110 -4.763 -16.737 496 1HB SER 70 1HB SER 70 -7.044 -3.206 -16.582 497 2HB SER 70 2HB SER 70 -8.562 -2.644 -15.876 498 HG SER 70 HG SER 70 -6.762 -4.103 -14.289 499 H GLY 71 H GLY 71 -6.836 -6.025 -14.314 500 1HA GLY 71 1HA GLY 71 -5.612 -7.909 -16.404 501 2HA GLY 71 2HA GLY 71 -5.670 -8.234 -14.667 502 H THR 72 H THR 72 -4.825 -5.107 -16.026 503 HA THR 72 HA THR 72 -1.867 -5.500 -15.411 504 HB THR 72 HB THR 72 -1.711 -3.136 -16.571 505 HG1 THR 72 HG1 THR 72 -3.294 -2.683 -17.934 506 1HG2 THR 72 1HG2 THR 72 -1.447 -4.115 -18.814 507 2HG2 THR 72 2HG2 THR 72 -0.728 -5.217 -17.620 508 3HG2 THR 72 3HG2 THR 72 -2.312 -5.595 -18.346 509 H ILE 73 H ILE 73 -1.005 -3.056 -14.810 510 HA ILE 73 HA ILE 73 -2.649 -1.944 -12.483 511 HB ILE 73 HB ILE 73 0.242 -2.917 -12.304 512 1HG1 ILE 73 1HG1 ILE 73 -2.127 -3.575 -10.441 513 2HG1 ILE 73 2HG1 ILE 73 -1.750 -4.542 -11.851 514 1HG2 ILE 73 1HG2 ILE 73 0.429 -1.865 -10.054 515 2HG2 ILE 73 2HG2 ILE 73 0.093 -0.617 -11.262 516 3HG2 ILE 73 3HG2 ILE 73 -1.207 -1.180 -10.185 517 1HD1 ILE 73 1HD1 ILE 73 0.150 -4.162 -9.463 518 2HD1 ILE 73 2HD1 ILE 73 -0.771 -5.618 -9.897 519 3HD1 ILE 73 3HD1 ILE 73 0.550 -5.062 -10.953 520 H ASP 74 H ASP 74 -3.160 -0.237 -13.825 521 HA ASP 74 HA ASP 74 -1.174 1.370 -15.355 522 1HB ASP 74 1HB ASP 74 -2.934 2.806 -16.015 523 2HB ASP 74 2HB ASP 74 -3.894 2.492 -14.588 524 H PHE 75 H PHE 75 -0.978 3.757 -14.886 525 HA PHE 75 HA PHE 75 0.426 4.112 -12.331 526 1HB PHE 75 1HB PHE 75 -0.412 6.178 -14.453 527 2HB PHE 75 2HB PHE 75 1.115 5.342 -14.362 528 HD1 PHE 75 HD1 PHE 75 -0.852 8.165 -13.071 529 HD2 PHE 75 HD2 PHE 75 2.751 5.894 -12.454 530 HE1 PHE 75 HE1 PHE 75 0.084 9.996 -11.720 531 HE2 PHE 75 HE2 PHE 75 3.666 7.736 -11.098 532 HZ PHE 75 HZ PHE 75 2.339 9.785 -10.731 533 H GLU 76 H GLU 76 -2.788 4.912 -13.528 534 HA GLU 76 HA GLU 76 -3.623 6.755 -11.398 535 1HB GLU 76 1HB GLU 76 -6.031 5.874 -12.282 536 2HB GLU 76 2HB GLU 76 -5.083 7.144 -13.026 537 1HG GLU 76 1HG GLU 76 -4.431 4.412 -14.089 538 2HG GLU 76 2HG GLU 76 -6.105 4.875 -14.306 539 H GLU 77 H GLU 77 -3.730 3.266 -11.811 540 HA GLU 77 HA GLU 77 -5.503 2.678 -9.488 541 1HB GLU 77 1HB GLU 77 -5.192 1.193 -11.559 542 2HB GLU 77 2HB GLU 77 -3.654 0.697 -10.891 543 1HG GLU 77 1HG GLU 77 -4.664 -0.482 -9.048 544 2HG GLU 77 2HG GLU 77 -6.190 0.380 -9.197 545 H PHE 78 H PHE 78 -2.022 2.746 -10.104 546 HA PHE 78 HA PHE 78 -1.111 1.565 -7.564 547 1HB PHE 78 1HB PHE 78 0.275 1.853 -9.729 548 2HB PHE 78 2HB PHE 78 0.460 3.543 -9.336 549 HD1 PHE 78 HD1 PHE 78 0.408 1.051 -6.548 550 HD2 PHE 78 HD2 PHE 78 2.949 3.228 -9.253 551 HE1 PHE 78 HE1 PHE 78 2.389 0.357 -5.263 552 HE2 PHE 78 HE2 PHE 78 4.917 2.531 -7.951 553 HZ PHE 78 HZ PHE 78 4.645 1.088 -5.964 554 H LEU 79 H LEU 79 -2.006 4.788 -8.644 555 HA LEU 79 HA LEU 79 -0.960 6.273 -6.287 556 1HB LEU 79 1HB LEU 79 -2.610 8.117 -7.260 557 2HB LEU 79 2HB LEU 79 -2.781 7.034 -8.624 558 HG LEU 79 HG LEU 79 -0.211 7.108 -8.914 559 1HD1 LEU 79 1HD1 LEU 79 -0.384 9.515 -6.995 560 2HD1 LEU 79 2HD1 LEU 79 0.298 7.937 -6.559 561 3HD1 LEU 79 3HD1 LEU 79 1.070 8.914 -7.831 562 1HD2 LEU 79 1HD2 LEU 79 -0.234 9.223 -10.166 563 2HD2 LEU 79 2HD2 LEU 79 -1.858 8.509 -10.317 564 3HD2 LEU 79 3HD2 LEU 79 -1.591 9.854 -9.199 565 H VAL 80 H VAL 80 -4.025 4.827 -7.254 566 HA VAL 80 HA VAL 80 -5.749 5.941 -5.158 567 HB VAL 80 HB VAL 80 -6.279 4.472 -7.387 568 1HG1 VAL 80 1HG1 VAL 80 -8.249 4.564 -5.018 569 2HG1 VAL 80 2HG1 VAL 80 -7.866 5.978 -6.009 570 3HG1 VAL 80 3HG1 VAL 80 -8.629 4.558 -6.760 571 1HG2 VAL 80 1HG2 VAL 80 -7.269 2.291 -6.867 572 2HG2 VAL 80 2HG2 VAL 80 -5.592 2.253 -6.277 573 3HG2 VAL 80 3HG2 VAL 80 -6.922 2.469 -5.130 574 H MET 81 H MET 81 -3.675 3.076 -5.398 575 HA MET 81 HA MET 81 -4.308 1.720 -2.905 576 1HB MET 81 1HB MET 81 -1.680 1.067 -3.099 577 2HB MET 81 2HB MET 81 -1.875 1.733 -4.710 578 1HG MET 81 1HG MET 81 -4.094 0.046 -4.624 579 2HG MET 81 2HG MET 81 -2.962 -0.828 -3.579 580 1HE MET 81 1HE MET 81 -4.254 -0.646 -6.960 581 2HE MET 81 2HE MET 81 -3.055 -1.686 -7.785 582 3HE MET 81 3HE MET 81 -3.846 -2.257 -6.289 583 H MET 82 H MET 82 -1.399 3.710 -3.500 584 HA MET 82 HA MET 82 -0.535 3.974 -0.767 585 1HB MET 82 1HB MET 82 0.040 5.529 -3.295 586 2HB MET 82 2HB MET 82 0.476 6.299 -1.782 587 1HG MET 82 1HG MET 82 1.366 3.417 -2.053 588 2HG MET 82 2HG MET 82 2.107 4.567 -3.173 589 1HE MET 82 1HE MET 82 2.021 2.900 -0.028 590 2HE MET 82 2HE MET 82 1.639 4.218 1.120 591 3HE MET 82 3HE MET 82 3.323 3.638 0.959 592 H VAL 83 H VAL 83 -2.924 5.788 -2.601 593 HA VAL 83 HA VAL 83 -3.169 8.178 -0.966 594 HB VAL 83 HB VAL 83 -4.703 6.989 -3.178 595 1HG1 VAL 83 1HG1 VAL 83 -6.870 8.171 -2.774 596 2HG1 VAL 83 2HG1 VAL 83 -6.605 6.920 -1.552 597 3HG1 VAL 83 3HG1 VAL 83 -6.340 8.629 -1.135 598 1HG2 VAL 83 1HG2 VAL 83 -4.332 9.932 -2.306 599 2HG2 VAL 83 2HG2 VAL 83 -3.308 9.056 -3.467 600 3HG2 VAL 83 3HG2 VAL 83 -5.002 9.379 -3.863 601 NH1 ARG 84 NH1 ARG 84 -7.266 0.294 -2.251 602 NH2 ARG 84 NH2 ARG 84 -8.711 1.185 -3.761 603 H ARG 84 H ARG 84 -5.058 5.137 -0.952 604 HA ARG 84 HA ARG 84 -6.995 5.676 1.113 605 1HB ARG 84 1HB ARG 84 -5.975 3.278 -0.250 606 2HB ARG 84 2HB ARG 84 -6.184 2.943 1.463 607 1HG ARG 84 1HG ARG 84 -8.536 3.499 1.445 608 2HG ARG 84 2HG ARG 84 -8.439 4.278 -0.136 609 1HD ARG 84 1HD ARG 84 -9.378 1.762 0.121 610 2HD ARG 84 2HD ARG 84 -7.671 1.317 0.068 611 HE ARG 84 HE ARG 84 -8.657 3.136 -2.154 612 1HH1 ARG 84 1HH1 ARG 84 -6.805 0.379 -1.339 613 2HH1 ARG 84 2HH1 ARG 84 -7.131 -0.453 -2.941 614 1HH2 ARG 84 1HH2 ARG 84 -9.402 1.913 -3.973 615 2HH2 ARG 84 2HH2 ARG 84 -8.425 0.411 -4.371 616 H GLN 85 H GLN 85 -3.762 4.170 1.448 617 HA GLN 85 HA GLN 85 -3.805 3.797 4.345 618 1HB GLN 85 1HB GLN 85 -1.097 4.012 3.810 619 2HB GLN 85 2HB GLN 85 -1.711 3.684 2.200 620 1HG GLN 85 1HG GLN 85 -1.885 1.481 2.657 621 2HG GLN 85 2HG GLN 85 -3.031 1.791 3.941 622 1HE2 GLN 85 1HE2 GLN 85 -0.068 2.000 6.365 623 2HE2 GLN 85 2HE2 GLN 85 -1.414 3.126 5.829 624 H MET 86 H MET 86 -2.765 6.463 2.268 625 HA MET 86 HA MET 86 -1.341 8.102 4.209 626 1HB MET 86 1HB MET 86 -2.619 9.900 2.350 627 2HB MET 86 2HB MET 86 -2.258 8.435 1.455 628 1HG MET 86 1HG MET 86 0.064 9.275 3.129 629 2HG MET 86 2HG MET 86 -0.005 8.861 1.408 630 1HE MET 86 1HE MET 86 -2.069 10.747 0.012 631 2HE MET 86 2HE MET 86 -1.088 12.197 -0.352 632 3HE MET 86 3HE MET 86 -0.392 10.568 -0.591 633 H LYS 87 H LYS 87 -4.760 7.851 3.336 634 HA LYS 87 HA LYS 87 -5.882 10.205 4.601 635 1HB LYS 87 1HB LYS 87 -7.045 7.461 3.963 636 2HB LYS 87 2HB LYS 87 -7.936 8.517 5.049 637 1HG LYS 87 1HG LYS 87 -8.346 8.560 2.395 638 2HG LYS 87 2HG LYS 87 -6.996 9.682 2.389 639 1HD LYS 87 1HD LYS 87 -9.419 10.091 4.243 640 2HD LYS 87 2HD LYS 87 -8.173 11.257 3.814 641 1HE LYS 87 1HE LYS 87 -10.108 11.908 2.509 642 2HE LYS 87 2HE LYS 87 -9.018 11.137 1.350 643 1HZ LYS 87 1HZ LYS 87 -11.543 10.455 1.549 644 2HZ LYS 87 2HZ LYS 87 -10.970 9.403 2.686 645 3HZ LYS 87 3HZ LYS 87 -10.391 9.344 1.140 646 H GLU 88 H GLU 88 -7.000 10.397 6.613 647 HA GLU 88 HA GLU 88 -5.976 8.618 8.883 648 1HB GLU 88 1HB GLU 88 -5.935 10.893 10.252 649 2HB GLU 88 2HB GLU 88 -5.755 11.647 8.680 650 1HG GLU 88 1HG GLU 88 -3.595 10.681 8.308 651 2HG GLU 88 2HG GLU 88 -3.871 9.353 9.423 652 H ASP 89 H ASP 89 -8.262 7.953 7.960 653 HA ASP 89 HA ASP 89 -10.290 8.661 10.012 654 1HB ASP 89 1HB ASP 89 -11.022 10.531 8.864 655 2HB ASP 89 2HB ASP 89 -10.543 9.929 7.294 656 H ALA 90 H ALA 90 -12.058 7.238 9.976 657 HA ALA 90 HA ALA 90 -12.559 5.167 7.909 658 1HB ALA 90 1HB ALA 90 -11.781 3.158 9.194 659 2HB ALA 90 2HB ALA 90 -10.411 4.207 8.780 660 3HB ALA 90 3HB ALA 90 -11.052 4.200 10.441 Start of MODEL 36 Raw file had 660 H/Q atoms Start of MODEL 36 1 1H ALA 1 1H ALA 1 -20.326 2.496 -16.388 2 2H ALA 1 2H ALA 1 -19.893 3.988 -15.746 3 3H ALA 1 3H ALA 1 -20.762 2.892 -14.813 4 HA ALA 1 HA ALA 1 -22.451 3.030 -16.763 5 1HB ALA 1 1HB ALA 1 -23.475 3.564 -14.768 6 2HB ALA 1 2HB ALA 1 -23.317 5.238 -15.333 7 3HB ALA 1 3HB ALA 1 -22.128 4.571 -14.186 8 H SER 2 H SER 2 -20.933 6.100 -15.725 9 HA SER 2 HA SER 2 -21.016 7.131 -18.614 10 1HB SER 2 1HB SER 2 -21.450 9.347 -17.800 11 2HB SER 2 2HB SER 2 -22.580 8.266 -16.981 12 HG SER 2 HG SER 2 -21.752 9.488 -15.428 13 H MET 3 H MET 3 -19.207 7.091 -15.555 14 HA MET 3 HA MET 3 -16.562 7.344 -16.974 15 1HB MET 3 1HB MET 3 -17.454 9.739 -16.615 16 2HB MET 3 2HB MET 3 -17.253 9.489 -14.890 17 1HG MET 3 1HG MET 3 -14.777 8.793 -16.417 18 2HG MET 3 2HG MET 3 -15.305 10.460 -16.680 19 1HE MET 3 1HE MET 3 -15.497 11.922 -12.987 20 2HE MET 3 2HE MET 3 -16.742 11.416 -14.167 21 3HE MET 3 3HE MET 3 -15.351 12.401 -14.708 22 H THR 4 H THR 4 -14.832 6.733 -15.654 23 HA THR 4 HA THR 4 -15.510 4.894 -13.398 24 HB THR 4 HB THR 4 -12.648 5.390 -14.160 25 HG1 THR 4 HG1 THR 4 -14.209 3.661 -15.675 26 1HG2 THR 4 1HG2 THR 4 -12.566 3.576 -12.705 27 2HG2 THR 4 2HG2 THR 4 -12.869 2.688 -14.215 28 3HG2 THR 4 3HG2 THR 4 -14.208 3.015 -13.085 29 H ASP 5 H ASP 5 -15.464 5.389 -11.331 30 HA ASP 5 HA ASP 5 -14.789 8.186 -10.453 31 1HB ASP 5 1HB ASP 5 -16.864 6.578 -9.725 32 2HB ASP 5 2HB ASP 5 -15.756 6.143 -8.444 33 H GLN 6 H GLN 6 -13.580 4.915 -10.101 34 HA GLN 6 HA GLN 6 -11.845 5.151 -7.792 35 1HB GLN 6 1HB GLN 6 -11.804 3.315 -10.223 36 2HB GLN 6 2HB GLN 6 -12.239 2.957 -8.562 37 1HG GLN 6 1HG GLN 6 -9.357 3.723 -9.271 38 2HG GLN 6 2HG GLN 6 -9.928 2.924 -7.823 39 1HE2 GLN 6 1HE2 GLN 6 -8.920 0.677 -11.090 40 2HE2 GLN 6 2HE2 GLN 6 -8.894 2.512 -11.108 41 H GLN 7 H GLN 7 -11.049 5.504 -11.266 42 HA GLN 7 HA GLN 7 -8.230 6.291 -10.887 43 1HB GLN 7 1HB GLN 7 -8.597 5.465 -13.061 44 2HB GLN 7 2HB GLN 7 -8.482 7.201 -13.312 45 1HG GLN 7 1HG GLN 7 -11.243 5.940 -12.975 46 2HG GLN 7 2HG GLN 7 -10.832 7.476 -13.723 47 1HE2 GLN 7 1HE2 GLN 7 -10.037 3.981 -15.892 48 2HE2 GLN 7 2HE2 GLN 7 -9.877 4.001 -14.064 49 H ALA 8 H ALA 8 -11.179 8.151 -11.711 50 HA ALA 8 HA ALA 8 -10.143 10.814 -11.820 51 1HB ALA 8 1HB ALA 8 -12.451 11.589 -11.300 52 2HB ALA 8 2HB ALA 8 -12.468 10.246 -12.459 53 3HB ALA 8 3HB ALA 8 -12.913 9.958 -10.757 54 H GLU 9 H GLU 9 -10.803 8.781 -9.037 55 HA GLU 9 HA GLU 9 -10.768 10.910 -6.963 56 1HB GLU 9 1HB GLU 9 -10.807 7.859 -6.848 57 2HB GLU 9 2HB GLU 9 -10.341 8.761 -5.413 58 1HG GLU 9 1HG GLU 9 -13.061 8.756 -6.811 59 2HG GLU 9 2HG GLU 9 -12.613 10.140 -5.821 60 H ALA 10 H ALA 10 -8.494 8.248 -7.733 61 HA ALA 10 HA ALA 10 -6.371 8.972 -5.894 62 1HB ALA 10 1HB ALA 10 -4.913 7.491 -7.264 63 2HB ALA 10 2HB ALA 10 -6.495 6.745 -6.972 64 3HB ALA 10 3HB ALA 10 -6.125 7.449 -8.567 65 NH1 ARG 11 NH1 ARG 11 -6.888 15.737 -14.450 66 NH2 ARG 11 NH2 ARG 11 -4.792 15.914 -15.308 67 H ARG 11 H ARG 11 -7.200 10.140 -9.096 68 HA ARG 11 HA ARG 11 -4.644 11.422 -9.850 69 1HB ARG 11 1HB ARG 11 -6.867 10.822 -11.291 70 2HB ARG 11 2HB ARG 11 -7.290 12.480 -10.892 71 1HG ARG 11 1HG ARG 11 -4.480 12.208 -11.890 72 2HG ARG 11 2HG ARG 11 -5.703 11.714 -13.064 73 1HD ARG 11 1HD ARG 11 -6.932 13.971 -12.516 74 2HD ARG 11 2HD ARG 11 -5.452 14.468 -11.693 75 HE ARG 11 HE ARG 11 -4.514 13.650 -14.241 76 1HH1 ARG 11 1HH1 ARG 11 -7.536 15.222 -13.843 77 2HH1 ARG 11 2HH1 ARG 11 -7.102 16.568 -15.013 78 1HH2 ARG 11 1HH2 ARG 11 -3.831 15.554 -15.329 79 2HH2 ARG 11 2HH2 ARG 11 -5.162 16.712 -15.836 80 H ALA 12 H ALA 12 -7.585 12.486 -8.186 81 HA ALA 12 HA ALA 12 -6.854 15.357 -7.931 82 1HB ALA 12 1HB ALA 12 -8.788 15.500 -6.375 83 2HB ALA 12 2HB ALA 12 -9.225 14.646 -7.869 84 3HB ALA 12 3HB ALA 12 -8.952 13.727 -6.367 85 H PHE 13 H PHE 13 -6.382 12.418 -6.047 86 HA PHE 13 HA PHE 13 -5.558 13.596 -3.508 87 1HB PHE 13 1HB PHE 13 -4.717 10.852 -4.599 88 2HB PHE 13 2HB PHE 13 -6.310 11.177 -3.968 89 HD1 PHE 13 HD1 PHE 13 -3.605 13.031 -2.283 90 HD2 PHE 13 HD2 PHE 13 -5.712 9.278 -2.318 91 HE1 PHE 13 HE1 PHE 13 -2.737 12.510 -0.040 92 HE2 PHE 13 HE2 PHE 13 -4.838 8.778 -0.074 93 HZ PHE 13 HZ PHE 13 -3.343 10.383 1.065 94 H LEU 14 H LEU 14 -3.774 12.514 -6.387 95 HA LEU 14 HA LEU 14 -1.137 13.636 -5.285 96 1HB LEU 14 1HB LEU 14 -1.154 11.885 -7.751 97 2HB LEU 14 2HB LEU 14 0.079 12.077 -6.524 98 HG LEU 14 HG LEU 14 -2.538 10.491 -6.160 99 1HD1 LEU 14 1HD1 LEU 14 -0.149 10.664 -4.219 100 2HD1 LEU 14 2HD1 LEU 14 -1.671 11.549 -4.010 101 3HD1 LEU 14 3HD1 LEU 14 -1.669 9.768 -3.970 102 1HD2 LEU 14 1HD2 LEU 14 -1.173 8.447 -6.264 103 2HD2 LEU 14 2HD2 LEU 14 -0.799 9.406 -7.717 104 3HD2 LEU 14 3HD2 LEU 14 0.337 9.387 -6.360 105 H SER 15 H SER 15 -0.886 15.627 -5.933 106 HA SER 15 HA SER 15 -2.170 17.025 -8.130 107 1HB SER 15 1HB SER 15 -0.765 17.883 -6.004 108 2HB SER 15 2HB SER 15 0.549 17.965 -7.180 109 HG SER 15 HG SER 15 -0.930 19.822 -6.907 110 H GLU 16 H GLU 16 -0.554 18.214 -9.766 111 HA GLU 16 HA GLU 16 0.404 16.150 -11.688 112 1HB GLU 16 1HB GLU 16 0.777 19.168 -11.998 113 2HB GLU 16 2HB GLU 16 -0.781 18.400 -12.237 114 1HG GLU 16 1HG GLU 16 1.672 17.389 -13.784 115 2HG GLU 16 2HG GLU 16 -0.025 17.185 -14.185 116 H GLU 17 H GLU 17 1.801 18.448 -9.432 117 HA GLU 17 HA GLU 17 4.627 18.273 -10.349 118 1HB GLU 17 1HB GLU 17 4.194 20.237 -9.152 119 2HB GLU 17 2HB GLU 17 3.316 19.428 -7.869 120 1HG GLU 17 1HG GLU 17 6.357 19.550 -8.292 121 2HG GLU 17 2HG GLU 17 5.657 18.324 -7.249 122 H MET 18 H MET 18 2.570 16.557 -8.059 123 HA MET 18 HA MET 18 4.690 14.772 -6.950 124 1HB MET 18 1HB MET 18 2.776 13.460 -5.962 125 2HB MET 18 2HB MET 18 1.636 14.474 -6.827 126 1HG MET 18 1HG MET 18 1.608 15.519 -4.732 127 2HG MET 18 2HG MET 18 2.845 16.500 -5.537 128 1HE MET 18 1HE MET 18 3.336 17.066 -2.785 129 2HE MET 18 2HE MET 18 4.983 16.474 -2.414 130 3HE MET 18 3HE MET 18 4.654 17.271 -3.981 131 H ILE 19 H ILE 19 2.340 14.706 -9.574 132 HA ILE 19 HA ILE 19 2.289 11.867 -10.205 133 HB ILE 19 HB ILE 19 1.752 14.322 -11.928 134 1HG1 ILE 19 1HG1 ILE 19 0.153 12.984 -10.031 135 2HG1 ILE 19 2HG1 ILE 19 -0.406 14.108 -11.251 136 1HG2 ILE 19 1HG2 ILE 19 0.942 12.845 -13.785 137 2HG2 ILE 19 2HG2 ILE 19 2.663 12.585 -13.508 138 3HG2 ILE 19 3HG2 ILE 19 1.487 11.397 -12.902 139 1HD1 ILE 19 1HD1 ILE 19 -0.400 11.050 -11.591 140 2HD1 ILE 19 2HD1 ILE 19 -1.801 12.117 -11.362 141 3HD1 ILE 19 3HD1 ILE 19 -0.855 12.215 -12.865 142 H ALA 20 H ALA 20 4.520 14.485 -11.013 143 HA ALA 20 HA ALA 20 6.136 13.231 -13.060 144 1HB ALA 20 1HB ALA 20 7.878 14.915 -12.476 145 2HB ALA 20 2HB ALA 20 6.266 15.651 -12.562 146 3HB ALA 20 3HB ALA 20 7.015 15.332 -10.977 147 H GLU 21 H GLU 21 6.451 13.218 -9.510 148 HA GLU 21 HA GLU 21 9.039 11.953 -9.235 149 1HB GLU 21 1HB GLU 21 7.582 11.058 -6.992 150 2HB GLU 21 2HB GLU 21 6.755 12.537 -7.441 151 1HG GLU 21 1HG GLU 21 9.638 12.157 -6.502 152 2HG GLU 21 2HG GLU 21 8.404 13.234 -5.871 153 H PHE 22 H PHE 22 5.785 10.622 -9.615 154 HA PHE 22 HA PHE 22 6.621 7.758 -9.266 155 1HB PHE 22 1HB PHE 22 3.892 8.932 -10.085 156 2HB PHE 22 2HB PHE 22 4.209 7.244 -9.791 157 HD1 PHE 22 HD1 PHE 22 5.856 7.131 -7.347 158 HD2 PHE 22 HD2 PHE 22 2.544 9.722 -8.266 159 HE1 PHE 22 HE1 PHE 22 5.506 7.551 -4.950 160 HE2 PHE 22 HE2 PHE 22 2.207 10.125 -5.862 161 HZ PHE 22 HZ PHE 22 3.704 9.070 -4.203 162 H LYS 23 H LYS 23 6.197 10.047 -11.858 163 HA LYS 23 HA LYS 23 5.598 8.327 -14.134 164 1HB LYS 23 1HB LYS 23 6.642 11.112 -13.785 165 2HB LYS 23 2HB LYS 23 7.230 10.330 -15.235 166 1HG LYS 23 1HG LYS 23 4.229 10.390 -14.595 167 2HG LYS 23 2HG LYS 23 5.008 10.022 -16.125 168 1HD LYS 23 1HD LYS 23 3.921 12.451 -15.633 169 2HD LYS 23 2HD LYS 23 5.508 12.784 -14.929 170 1HE LYS 23 1HE LYS 23 6.175 13.313 -17.070 171 2HE LYS 23 2HE LYS 23 6.238 11.568 -17.361 172 1HZ LYS 23 1HZ LYS 23 4.735 13.224 -18.787 173 2HZ LYS 23 2HZ LYS 23 3.608 12.814 -17.650 174 3HZ LYS 23 3HZ LYS 23 4.327 11.639 -18.563 175 H ALA 24 H ALA 24 8.676 9.344 -12.667 176 HA ALA 24 HA ALA 24 10.514 8.243 -14.649 177 1HB ALA 24 1HB ALA 24 12.261 8.480 -12.895 178 2HB ALA 24 2HB ALA 24 11.234 9.923 -12.978 179 3HB ALA 24 3HB ALA 24 11.019 8.754 -11.650 180 H ALA 25 H ALA 25 9.741 6.974 -11.386 181 HA ALA 25 HA ALA 25 11.062 4.383 -11.636 182 1HB ALA 25 1HB ALA 25 9.783 3.749 -9.600 183 2HB ALA 25 2HB ALA 25 10.479 5.373 -9.439 184 3HB ALA 25 3HB ALA 25 8.738 5.180 -9.769 185 H PHE 26 H PHE 26 7.953 5.557 -12.699 186 HA PHE 26 HA PHE 26 6.396 3.077 -12.791 187 1HB PHE 26 1HB PHE 26 5.172 5.138 -13.002 188 2HB PHE 26 2HB PHE 26 6.103 5.688 -14.369 189 HD1 PHE 26 HD1 PHE 26 5.399 5.077 -16.641 190 HD2 PHE 26 HD2 PHE 26 3.611 3.075 -13.279 191 HE1 PHE 26 HE1 PHE 26 3.649 4.153 -18.107 192 HE2 PHE 26 HE2 PHE 26 1.865 2.167 -14.759 193 HZ PHE 26 HZ PHE 26 1.903 2.671 -17.177 194 H ASP 27 H ASP 27 8.591 4.660 -15.084 195 HA ASP 27 HA ASP 27 8.262 2.805 -17.358 196 1HB ASP 27 1HB ASP 27 9.434 5.211 -17.257 197 2HB ASP 27 2HB ASP 27 10.877 4.289 -16.905 198 H MET 28 H MET 28 10.273 2.895 -14.466 199 HA MET 28 HA MET 28 12.245 0.873 -14.991 200 1HB MET 28 1HB MET 28 11.014 0.822 -12.225 201 2HB MET 28 2HB MET 28 11.712 2.339 -12.762 202 1HG MET 28 1HG MET 28 13.929 1.224 -13.173 203 2HG MET 28 2HG MET 28 13.243 -0.337 -12.692 204 1HE MET 28 1HE MET 28 12.685 3.383 -11.243 205 2HE MET 28 2HE MET 28 13.809 3.336 -9.852 206 3HE MET 28 3HE MET 28 14.450 3.236 -11.519 207 H PHE 29 H PHE 29 8.904 0.530 -13.814 208 HA PHE 29 HA PHE 29 8.918 -2.445 -13.644 209 1HB PHE 29 1HB PHE 29 6.436 -0.637 -13.820 210 2HB PHE 29 2HB PHE 29 6.489 -2.291 -13.273 211 HD1 PHE 29 HD1 PHE 29 5.343 -0.010 -11.643 212 HD2 PHE 29 HD2 PHE 29 9.324 -1.648 -11.696 213 HE1 PHE 29 HE1 PHE 29 5.705 0.762 -9.334 214 HE2 PHE 29 HE2 PHE 29 9.667 -0.859 -9.390 215 HZ PHE 29 HZ PHE 29 7.872 0.363 -8.215 216 H ASP 30 H ASP 30 8.053 0.025 -16.012 217 HA ASP 30 HA ASP 30 6.724 -1.592 -18.029 218 1HB ASP 30 1HB ASP 30 7.168 1.074 -17.871 219 2HB ASP 30 2HB ASP 30 8.494 0.691 -18.944 220 H ALA 31 H ALA 31 7.630 -2.249 -20.114 221 HA ALA 31 HA ALA 31 10.546 -3.199 -20.002 222 1HB ALA 31 1HB ALA 31 9.833 -5.414 -20.912 223 2HB ALA 31 2HB ALA 31 9.092 -5.082 -19.334 224 3HB ALA 31 3HB ALA 31 8.122 -4.933 -20.822 225 H ASP 32 H ASP 32 7.669 -2.560 -21.988 226 HA ASP 32 HA ASP 32 9.198 -2.692 -24.588 227 1HB ASP 32 1HB ASP 32 7.130 -3.616 -25.022 228 2HB ASP 32 2HB ASP 32 6.876 -1.979 -25.581 229 H GLY 33 H GLY 33 7.637 -0.314 -22.479 230 1HA GLY 33 1HA GLY 33 8.595 1.999 -22.140 231 2HA GLY 33 2HA GLY 33 9.306 1.888 -23.734 232 H GLY 34 H GLY 34 6.006 0.857 -23.163 233 1HA GLY 34 1HA GLY 34 3.981 1.653 -24.339 234 2HA GLY 34 2HA GLY 34 4.860 3.101 -24.849 235 H GLY 35 H GLY 35 2.254 2.798 -23.493 236 1HA GLY 35 1HA GLY 35 2.741 4.458 -20.944 237 2HA GLY 35 2HA GLY 35 1.389 4.784 -22.038 238 H ASP 36 H ASP 36 2.585 1.589 -21.117 239 HA ASP 36 HA ASP 36 0.422 1.032 -19.113 240 1HB ASP 36 1HB ASP 36 -1.164 0.445 -20.613 241 2HB ASP 36 2HB ASP 36 -0.275 -1.058 -20.708 242 H ILE 37 H ILE 37 0.612 -1.136 -18.250 243 HA ILE 37 HA ILE 37 3.282 -2.552 -18.741 244 HB ILE 37 HB ILE 37 2.087 -2.356 -15.953 245 1HG1 ILE 37 1HG1 ILE 37 4.460 -0.619 -16.861 246 2HG1 ILE 37 2HG1 ILE 37 2.814 -0.017 -16.811 247 1HG2 ILE 37 1HG2 ILE 37 4.256 -3.238 -15.184 248 2HG2 ILE 37 2HG2 ILE 37 3.582 -4.307 -16.423 249 3HG2 ILE 37 3HG2 ILE 37 4.912 -3.199 -16.839 250 1HD1 ILE 37 1HD1 ILE 37 4.383 -1.001 -14.353 251 2HD1 ILE 37 2HD1 ILE 37 3.946 0.671 -14.763 252 3HD1 ILE 37 3HD1 ILE 37 2.673 -0.492 -14.329 253 H SER 38 H SER 38 3.283 -4.793 -17.985 254 HA SER 38 HA SER 38 0.538 -6.157 -18.202 255 1HB SER 38 1HB SER 38 2.256 -6.135 -20.287 256 2HB SER 38 2HB SER 38 1.181 -7.491 -19.938 257 HG SER 38 HG SER 38 3.405 -8.019 -20.281 258 H THR 39 H THR 39 1.313 -8.719 -17.894 259 HA THR 39 HA THR 39 2.017 -8.892 -14.974 260 HB THR 39 HB THR 39 1.724 -11.540 -15.882 261 HG1 THR 39 HG1 THR 39 -0.542 -10.385 -16.844 262 1HG2 THR 39 1HG2 THR 39 -0.428 -11.551 -14.699 263 2HG2 THR 39 2HG2 THR 39 0.733 -10.588 -13.757 264 3HG2 THR 39 3HG2 THR 39 -0.523 -9.775 -14.727 265 H LYS 40 H LYS 40 3.235 -10.203 -18.073 266 HA LYS 40 HA LYS 40 5.566 -11.616 -17.082 267 1HB LYS 40 1HB LYS 40 4.488 -11.719 -19.406 268 2HB LYS 40 2HB LYS 40 5.359 -10.274 -19.849 269 1HG LYS 40 1HG LYS 40 6.204 -12.817 -20.309 270 2HG LYS 40 2HG LYS 40 6.858 -12.691 -18.698 271 1HD LYS 40 1HD LYS 40 7.645 -10.615 -20.835 272 2HD LYS 40 2HD LYS 40 8.385 -10.952 -19.297 273 1HE LYS 40 1HE LYS 40 9.311 -11.957 -21.693 274 2HE LYS 40 2HE LYS 40 9.772 -12.550 -20.103 275 1HZ LYS 40 1HZ LYS 40 9.079 -14.426 -21.285 276 2HZ LYS 40 2HZ LYS 40 7.782 -13.682 -21.987 277 3HZ LYS 40 3HZ LYS 40 7.732 -14.093 -20.388 278 H GLU 41 H GLU 41 5.102 -8.268 -18.215 279 HA GLU 41 HA GLU 41 7.870 -7.350 -18.074 280 1HB GLU 41 1HB GLU 41 7.136 -5.187 -18.498 281 2HB GLU 41 2HB GLU 41 5.644 -5.372 -17.603 282 1HG GLU 41 1HG GLU 41 6.067 -6.894 -20.237 283 2HG GLU 41 2HG GLU 41 4.563 -6.573 -19.400 284 H LEU 42 H LEU 42 5.156 -7.018 -15.774 285 HA LEU 42 HA LEU 42 6.498 -5.485 -13.701 286 1HB LEU 42 1HB LEU 42 3.939 -6.156 -13.983 287 2HB LEU 42 2HB LEU 42 4.358 -7.566 -13.034 288 HG LEU 42 HG LEU 42 5.153 -4.861 -11.896 289 1HD1 LEU 42 1HD1 LEU 42 3.973 -7.353 -10.519 290 2HD1 LEU 42 2HD1 LEU 42 5.708 -7.086 -10.748 291 3HD1 LEU 42 3HD1 LEU 42 4.766 -5.961 -9.737 292 1HD2 LEU 42 1HD2 LEU 42 2.914 -4.419 -10.954 293 2HD2 LEU 42 2HD2 LEU 42 2.752 -4.545 -12.723 294 3HD2 LEU 42 3HD2 LEU 42 2.252 -5.899 -11.694 295 H GLY 43 H GLY 43 6.365 -8.938 -14.400 296 1HA GLY 43 1HA GLY 43 7.610 -10.839 -13.549 297 2HA GLY 43 2HA GLY 43 7.355 -10.096 -11.964 298 H THR 44 H THR 44 9.165 -8.816 -14.741 299 HA THR 44 HA THR 44 11.833 -9.667 -14.047 300 HB THR 44 HB THR 44 10.760 -7.472 -15.800 301 HG1 THR 44 HG1 THR 44 11.151 -9.645 -16.418 302 1HG2 THR 44 1HG2 THR 44 13.050 -6.673 -16.409 303 2HG2 THR 44 2HG2 THR 44 12.638 -6.227 -14.740 304 3HG2 THR 44 3HG2 THR 44 13.746 -7.589 -15.049 305 H VAL 45 H VAL 45 9.986 -6.805 -13.078 306 HA VAL 45 HA VAL 45 12.177 -5.476 -11.585 307 HB VAL 45 HB VAL 45 9.312 -4.873 -12.131 308 1HG1 VAL 45 1HG1 VAL 45 11.700 -2.958 -11.771 309 2HG1 VAL 45 2HG1 VAL 45 11.332 -3.775 -13.295 310 3HG1 VAL 45 3HG1 VAL 45 10.157 -2.632 -12.604 311 1HG2 VAL 45 1HG2 VAL 45 8.937 -3.273 -10.326 312 2HG2 VAL 45 2HG2 VAL 45 9.343 -4.819 -9.546 313 3HG2 VAL 45 3HG2 VAL 45 10.563 -3.542 -9.646 314 H MET 46 H MET 46 9.532 -7.692 -10.846 315 HA MET 46 HA MET 46 9.507 -7.563 -7.940 316 1HB MET 46 1HB MET 46 8.458 -9.846 -7.981 317 2HB MET 46 2HB MET 46 8.843 -10.000 -9.686 318 1HG MET 46 1HG MET 46 7.319 -7.501 -9.225 319 2HG MET 46 2HG MET 46 6.977 -8.849 -10.322 320 1HE MET 46 1HE MET 46 7.010 -7.917 -6.388 321 2HE MET 46 2HE MET 46 6.032 -9.271 -5.751 322 3HE MET 46 3HE MET 46 7.639 -9.592 -6.463 323 NH1 ARG 47 NH1 ARG 47 15.798 -14.609 -13.524 324 NH2 ARG 47 NH2 ARG 47 17.000 -14.947 -11.625 325 H ARG 47 H ARG 47 11.499 -9.341 -10.243 326 HA ARG 47 HA ARG 47 12.887 -11.217 -8.533 327 1HB ARG 47 1HB ARG 47 14.877 -10.682 -10.304 328 2HB ARG 47 2HB ARG 47 13.564 -9.886 -11.161 329 1HG ARG 47 1HG ARG 47 13.218 -12.767 -10.168 330 2HG ARG 47 2HG ARG 47 12.273 -11.909 -11.385 331 1HD ARG 47 1HD ARG 47 13.631 -13.150 -12.838 332 2HD ARG 47 2HD ARG 47 14.642 -11.723 -12.669 333 HE ARG 47 HE ARG 47 15.646 -13.264 -10.583 334 1HH1 ARG 47 1HH1 ARG 47 15.040 -14.097 -13.989 335 2HH1 ARG 47 2HH1 ARG 47 16.395 -15.333 -13.939 336 1HH2 ARG 47 1HH2 ARG 47 17.162 -14.695 -10.644 337 2HH2 ARG 47 2HH2 ARG 47 17.512 -15.648 -12.173 338 H MET 48 H MET 48 13.796 -7.895 -9.479 339 HA MET 48 HA MET 48 16.244 -7.524 -8.045 340 1HB MET 48 1HB MET 48 15.058 -5.021 -7.671 341 2HB MET 48 2HB MET 48 14.137 -5.646 -9.026 342 1HG MET 48 1HG MET 48 15.929 -5.532 -10.511 343 2HG MET 48 2HG MET 48 17.131 -5.972 -9.286 344 1HE MET 48 1HE MET 48 15.799 -3.177 -11.472 345 2HE MET 48 2HE MET 48 17.021 -1.971 -10.975 346 3HE MET 48 3HE MET 48 17.539 -3.601 -11.496 347 H LEU 49 H LEU 49 12.914 -7.482 -6.883 348 HA LEU 49 HA LEU 49 13.110 -6.426 -4.239 349 1HB LEU 49 1HB LEU 49 11.484 -8.967 -4.737 350 2HB LEU 49 2HB LEU 49 11.041 -7.480 -5.547 351 HG LEU 49 HG LEU 49 11.178 -7.864 -2.492 352 1HD1 LEU 49 1HD1 LEU 49 8.694 -7.505 -4.283 353 2HD1 LEU 49 2HD1 LEU 49 9.261 -9.067 -3.664 354 3HD1 LEU 49 3HD1 LEU 49 8.714 -7.810 -2.528 355 1HD2 LEU 49 1HD2 LEU 49 10.235 -5.606 -2.242 356 2HD2 LEU 49 2HD2 LEU 49 11.692 -5.458 -3.255 357 3HD2 LEU 49 3HD2 LEU 49 10.090 -5.404 -4.006 358 H GLY 50 H GLY 50 13.114 -9.947 -4.852 359 1HA GLY 50 1HA GLY 50 15.623 -10.680 -3.593 360 2HA GLY 50 2HA GLY 50 14.429 -10.640 -2.288 361 H GLN 51 H GLN 51 12.186 -11.397 -3.971 362 HA GLN 51 HA GLN 51 12.487 -14.388 -3.745 363 1HB GLN 51 1HB GLN 51 9.888 -13.355 -4.778 364 2HB GLN 51 2HB GLN 51 10.236 -14.498 -3.495 365 1HG GLN 51 1HG GLN 51 10.958 -12.431 -2.046 366 2HG GLN 51 2HG GLN 51 10.238 -11.432 -3.290 367 1HE2 GLN 51 1HE2 GLN 51 7.783 -13.542 -0.706 368 2HE2 GLN 51 2HE2 GLN 51 9.601 -13.791 -0.749 369 H ASN 52 H ASN 52 10.746 -15.255 -5.690 370 HA ASN 52 HA ASN 52 11.522 -14.199 -8.378 371 1HB ASN 52 1HB ASN 52 12.206 -17.138 -7.892 372 2HB ASN 52 2HB ASN 52 13.369 -15.893 -7.489 373 1HD2 ASN 52 1HD2 ASN 52 13.690 -17.221 -11.121 374 2HD2 ASN 52 2HD2 ASN 52 13.599 -17.997 -9.460 375 HA PRO 53 HA PRO 53 7.209 -16.136 -8.161 376 1HB PRO 53 1HB PRO 53 5.810 -14.258 -9.619 377 2HB PRO 53 2HB PRO 53 6.317 -14.033 -7.938 378 1HG PRO 53 1HG PRO 53 7.663 -12.948 -10.456 379 2HG PRO 53 2HG PRO 53 7.314 -12.084 -8.941 380 1HD PRO 53 1HD PRO 53 9.263 -12.993 -7.877 381 2HD PRO 53 2HD PRO 53 9.813 -13.238 -9.561 382 H THR 54 H THR 54 5.545 -16.491 -10.101 383 HA THR 54 HA THR 54 7.025 -17.343 -12.641 384 HB THR 54 HB THR 54 6.307 -19.202 -10.814 385 HG1 THR 54 HG1 THR 54 5.812 -20.051 -13.354 386 1HG2 THR 54 1HG2 THR 54 4.279 -20.432 -11.513 387 2HG2 THR 54 2HG2 THR 54 3.831 -18.804 -10.954 388 3HG2 THR 54 3HG2 THR 54 3.868 -19.169 -12.698 389 H LYS 55 H LYS 55 5.111 -18.173 -14.208 390 HA LYS 55 HA LYS 55 3.757 -15.669 -15.045 391 1HB LYS 55 1HB LYS 55 2.813 -17.097 -16.929 392 2HB LYS 55 2HB LYS 55 3.515 -18.522 -16.193 393 1HG LYS 55 1HG LYS 55 4.833 -16.319 -17.748 394 2HG LYS 55 2HG LYS 55 5.786 -16.945 -16.415 395 1HD LYS 55 1HD LYS 55 6.247 -18.109 -18.646 396 2HD LYS 55 2HD LYS 55 4.573 -18.641 -18.692 397 1HE LYS 55 1HE LYS 55 5.324 -19.636 -16.211 398 2HE LYS 55 2HE LYS 55 5.312 -20.570 -17.705 399 1HZ LYS 55 1HZ LYS 55 7.572 -19.523 -16.194 400 2HZ LYS 55 2HZ LYS 55 7.741 -19.415 -17.834 401 3HZ LYS 55 3HZ LYS 55 7.469 -20.883 -17.127 402 H GLU 56 H GLU 56 2.850 -18.703 -13.500 403 HA GLU 56 HA GLU 56 -0.083 -18.355 -13.662 404 1HB GLU 56 1HB GLU 56 1.728 -20.292 -12.173 405 2HB GLU 56 2HB GLU 56 0.026 -20.215 -11.761 406 1HG GLU 56 1HG GLU 56 0.972 -21.931 -13.614 407 2HG GLU 56 2HG GLU 56 0.813 -20.562 -14.699 408 H GLU 57 H GLU 57 2.388 -17.850 -11.149 409 HA GLU 57 HA GLU 57 0.560 -17.088 -8.962 410 1HB GLU 57 1HB GLU 57 2.388 -16.733 -7.615 411 2HB GLU 57 2HB GLU 57 3.376 -16.054 -8.891 412 1HG GLU 57 1HG GLU 57 2.786 -18.970 -9.319 413 2HG GLU 57 2HG GLU 57 4.309 -18.102 -9.469 414 H LEU 58 H LEU 58 2.283 -15.341 -11.497 415 HA LEU 58 HA LEU 58 1.836 -12.610 -10.440 416 1HB LEU 58 1HB LEU 58 3.004 -13.817 -12.949 417 2HB LEU 58 2HB LEU 58 2.394 -12.181 -13.089 418 HG LEU 58 HG LEU 58 4.177 -12.698 -10.698 419 1HD1 LEU 58 1HD1 LEU 58 4.331 -10.466 -12.830 420 2HD1 LEU 58 2HD1 LEU 58 3.326 -10.355 -11.378 421 3HD1 LEU 58 3HD1 LEU 58 5.095 -10.474 -11.220 422 1HD2 LEU 58 1HD2 LEU 58 6.278 -12.771 -11.988 423 2HD2 LEU 58 2HD2 LEU 58 5.238 -14.112 -12.528 424 3HD2 LEU 58 3HD2 LEU 58 5.393 -12.658 -13.531 425 H ASP 59 H ASP 59 0.210 -14.810 -12.659 426 HA ASP 59 HA ASP 59 -1.663 -12.976 -13.933 427 1HB ASP 59 1HB ASP 59 -2.055 -15.990 -13.475 428 2HB ASP 59 2HB ASP 59 -1.163 -15.278 -14.800 429 H ALA 60 H ALA 60 -1.831 -14.900 -10.960 430 HA ALA 60 HA ALA 60 -4.660 -14.317 -10.289 431 1HB ALA 60 1HB ALA 60 -4.124 -15.341 -8.084 432 2HB ALA 60 2HB ALA 60 -3.537 -16.344 -9.425 433 3HB ALA 60 3HB ALA 60 -2.389 -15.362 -8.480 434 H ILE 61 H ILE 61 -1.506 -12.953 -9.417 435 HA ILE 61 HA ILE 61 -2.263 -11.228 -7.206 436 HB ILE 61 HB ILE 61 0.096 -11.401 -9.024 437 1HG1 ILE 61 1HG1 ILE 61 0.868 -12.315 -7.084 438 2HG1 ILE 61 2HG1 ILE 61 -0.528 -11.765 -6.182 439 1HG2 ILE 61 1HG2 ILE 61 1.087 -9.194 -8.349 440 2HG2 ILE 61 2HG2 ILE 61 -0.373 -8.951 -9.306 441 3HG2 ILE 61 3HG2 ILE 61 -0.434 -8.738 -7.541 442 1HD1 ILE 61 1HD1 ILE 61 0.517 -9.575 -5.667 443 2HD1 ILE 61 2HD1 ILE 61 1.587 -10.910 -5.189 444 3HD1 ILE 61 3HD1 ILE 61 1.933 -9.989 -6.671 445 H ILE 62 H ILE 62 -2.326 -10.795 -10.721 446 HA ILE 62 HA ILE 62 -3.150 -7.925 -10.668 447 HB ILE 62 HB ILE 62 -2.714 -9.963 -12.857 448 1HG1 ILE 62 1HG1 ILE 62 -1.653 -7.119 -12.303 449 2HG1 ILE 62 2HG1 ILE 62 -0.769 -8.623 -12.152 450 1HG2 ILE 62 1HG2 ILE 62 -3.617 -8.420 -14.620 451 2HG2 ILE 62 2HG2 ILE 62 -4.908 -8.933 -13.537 452 3HG2 ILE 62 3HG2 ILE 62 -4.214 -7.305 -13.367 453 1HD1 ILE 62 1HD1 ILE 62 -1.697 -7.426 -14.830 454 2HD1 ILE 62 2HD1 ILE 62 -0.041 -7.521 -14.195 455 3HD1 ILE 62 3HD1 ILE 62 -0.899 -9.013 -14.645 456 H GLU 63 H GLU 63 -4.673 -11.102 -11.055 457 HA GLU 63 HA GLU 63 -7.372 -10.475 -11.689 458 1HB GLU 63 1HB GLU 63 -6.807 -12.575 -9.558 459 2HB GLU 63 2HB GLU 63 -6.215 -12.802 -11.193 460 1HG GLU 63 1HG GLU 63 -9.170 -12.455 -10.366 461 2HG GLU 63 2HG GLU 63 -8.638 -12.541 -12.036 462 H GLU 64 H GLU 64 -5.658 -10.150 -8.624 463 HA GLU 64 HA GLU 64 -7.992 -9.553 -6.921 464 1HB GLU 64 1HB GLU 64 -5.105 -9.853 -6.549 465 2HB GLU 64 2HB GLU 64 -6.426 -10.175 -5.443 466 1HG GLU 64 1HG GLU 64 -4.784 -7.619 -5.780 467 2HG GLU 64 2HG GLU 64 -6.416 -7.478 -5.147 468 H VAL 65 H VAL 65 -5.257 -7.416 -7.800 469 HA VAL 65 HA VAL 65 -6.977 -4.955 -7.476 470 HB VAL 65 HB VAL 65 -4.852 -4.776 -6.410 471 1HG1 VAL 65 1HG1 VAL 65 -4.591 -3.039 -8.949 472 2HG1 VAL 65 2HG1 VAL 65 -5.735 -2.698 -7.637 473 3HG1 VAL 65 3HG1 VAL 65 -3.984 -2.673 -7.314 474 1HG2 VAL 65 1HG2 VAL 65 -2.640 -5.031 -7.421 475 2HG2 VAL 65 2HG2 VAL 65 -3.563 -6.490 -7.857 476 3HG2 VAL 65 3HG2 VAL 65 -3.321 -5.212 -9.056 477 H ASP 66 H ASP 66 -8.348 -5.505 -9.269 478 HA ASP 66 HA ASP 66 -7.727 -4.061 -11.750 479 1HB ASP 66 1HB ASP 66 -7.457 -7.109 -11.947 480 2HB ASP 66 2HB ASP 66 -6.245 -5.904 -12.313 481 H GLU 67 H GLU 67 -9.702 -3.597 -10.245 482 HA GLU 67 HA GLU 67 -12.179 -5.220 -10.800 483 1HB GLU 67 1HB GLU 67 -11.577 -4.147 -8.538 484 2HB GLU 67 2HB GLU 67 -13.237 -4.042 -9.092 485 1HG GLU 67 1HG GLU 67 -12.377 -1.625 -10.050 486 2HG GLU 67 2HG GLU 67 -11.159 -1.832 -8.804 487 H ASP 68 H ASP 68 -10.729 -3.783 -12.995 488 HA ASP 68 HA ASP 68 -12.915 -1.852 -13.929 489 1HB ASP 68 1HB ASP 68 -11.220 -0.320 -13.892 490 2HB ASP 68 2HB ASP 68 -10.949 -0.963 -15.495 491 H GLY 69 H GLY 69 -10.579 -4.378 -14.793 492 1HA GLY 69 1HA GLY 69 -12.468 -5.429 -16.950 493 2HA GLY 69 2HA GLY 69 -11.136 -6.339 -16.224 494 H SER 70 H SER 70 -9.209 -6.367 -17.149 495 HA SER 70 HA SER 70 -8.796 -5.518 -19.921 496 1HB SER 70 1HB SER 70 -8.626 -3.250 -19.270 497 2HB SER 70 2HB SER 70 -6.954 -3.774 -19.492 498 HG SER 70 HG SER 70 -8.400 -3.416 -17.090 499 H GLY 71 H GLY 71 -7.014 -5.883 -16.832 500 1HA GLY 71 1HA GLY 71 -5.322 -8.138 -18.051 501 2HA GLY 71 2HA GLY 71 -5.675 -7.971 -16.326 502 H THR 72 H THR 72 -4.827 -5.246 -18.365 503 HA THR 72 HA THR 72 -1.948 -5.217 -17.427 504 HB THR 72 HB THR 72 -1.901 -3.102 -19.032 505 HG1 THR 72 HG1 THR 72 -3.391 -3.733 -20.811 506 1HG2 THR 72 1HG2 THR 72 -1.341 -4.483 -20.992 507 2HG2 THR 72 2HG2 THR 72 -0.628 -5.226 -19.544 508 3HG2 THR 72 3HG2 THR 72 -2.095 -5.925 -20.278 509 H ILE 73 H ILE 73 -1.110 -3.715 -16.102 510 HA ILE 73 HA ILE 73 -3.018 -1.889 -14.582 511 HB ILE 73 HB ILE 73 -0.175 -2.765 -13.852 512 1HG1 ILE 73 1HG1 ILE 73 -2.885 -3.679 -12.680 513 2HG1 ILE 73 2HG1 ILE 73 -1.320 -4.078 -12.004 514 1HG2 ILE 73 1HG2 ILE 73 -0.537 -1.684 -11.637 515 2HG2 ILE 73 2HG2 ILE 73 -0.733 -0.481 -12.919 516 3HG2 ILE 73 3HG2 ILE 73 -2.168 -1.153 -12.108 517 1HD1 ILE 73 1HD1 ILE 73 -0.667 -5.406 -13.994 518 2HD1 ILE 73 2HD1 ILE 73 -2.225 -5.962 -13.345 519 3HD1 ILE 73 3HD1 ILE 73 -2.188 -4.962 -14.818 520 H ASP 74 H ASP 74 -3.219 -0.393 -16.272 521 HA ASP 74 HA ASP 74 -0.955 1.039 -17.513 522 1HB ASP 74 1HB ASP 74 -2.489 2.313 -18.710 523 2HB ASP 74 2HB ASP 74 -3.645 2.405 -17.402 524 H PHE 75 H PHE 75 -1.567 3.705 -17.282 525 HA PHE 75 HA PHE 75 -0.161 4.341 -14.715 526 1HB PHE 75 1HB PHE 75 0.259 5.396 -17.099 527 2HB PHE 75 2HB PHE 75 -1.123 6.405 -16.769 528 HD1 PHE 75 HD1 PHE 75 -0.847 7.182 -13.914 529 HD2 PHE 75 HD2 PHE 75 2.236 6.674 -16.873 530 HE1 PHE 75 HE1 PHE 75 0.539 8.866 -12.774 531 HE2 PHE 75 HE2 PHE 75 3.611 8.355 -15.712 532 HZ PHE 75 HZ PHE 75 2.754 9.476 -13.685 533 H GLU 76 H GLU 76 -3.355 4.678 -16.136 534 HA GLU 76 HA GLU 76 -4.496 6.684 -14.339 535 1HB GLU 76 1HB GLU 76 -5.741 4.662 -16.227 536 2HB GLU 76 2HB GLU 76 -6.756 5.538 -15.102 537 1HG GLU 76 1HG GLU 76 -4.961 6.828 -17.253 538 2HG GLU 76 2HG GLU 76 -6.692 6.588 -17.363 539 H GLU 77 H GLU 77 -4.263 3.167 -14.192 540 HA GLU 77 HA GLU 77 -5.872 3.012 -11.620 541 1HB GLU 77 1HB GLU 77 -5.425 0.470 -11.912 542 2HB GLU 77 2HB GLU 77 -6.602 1.275 -12.924 543 1HG GLU 77 1HG GLU 77 -4.784 1.431 -14.773 544 2HG GLU 77 2HG GLU 77 -3.762 0.415 -13.763 545 H PHE 78 H PHE 78 -2.592 2.736 -12.818 546 HA PHE 78 HA PHE 78 -1.240 1.369 -10.686 547 1HB PHE 78 1HB PHE 78 -0.076 1.968 -12.773 548 2HB PHE 78 2HB PHE 78 -0.223 3.679 -12.458 549 HD1 PHE 78 HD1 PHE 78 1.197 4.697 -10.533 550 HD2 PHE 78 HD2 PHE 78 1.642 0.583 -11.711 551 HE1 PHE 78 HE1 PHE 78 3.394 4.605 -9.424 552 HE2 PHE 78 HE2 PHE 78 3.835 0.510 -10.597 553 HZ PHE 78 HZ PHE 78 4.710 2.512 -9.443 554 H LEU 79 H LEU 79 -2.241 4.759 -10.954 555 HA LEU 79 HA LEU 79 -0.916 5.744 -8.508 556 1HB LEU 79 1HB LEU 79 -3.098 6.861 -10.332 557 2HB LEU 79 2HB LEU 79 -2.812 7.629 -8.786 558 HG LEU 79 HG LEU 79 -0.202 7.489 -9.821 559 1HD1 LEU 79 1HD1 LEU 79 -0.313 8.299 -12.180 560 2HD1 LEU 79 2HD1 LEU 79 -1.023 6.680 -12.041 561 3HD1 LEU 79 3HD1 LEU 79 -2.084 8.102 -12.193 562 1HD2 LEU 79 1HD2 LEU 79 -2.217 9.817 -10.123 563 2HD2 LEU 79 2HD2 LEU 79 -1.173 9.509 -8.713 564 3HD2 LEU 79 3HD2 LEU 79 -0.446 9.954 -10.264 565 H VAL 80 H VAL 80 -4.179 4.550 -9.245 566 HA VAL 80 HA VAL 80 -5.463 5.070 -6.673 567 HB VAL 80 HB VAL 80 -6.089 3.203 -8.964 568 1HG1 VAL 80 1HG1 VAL 80 -8.082 2.266 -7.773 569 2HG1 VAL 80 2HG1 VAL 80 -6.583 1.744 -6.993 570 3HG1 VAL 80 3HG1 VAL 80 -7.559 3.034 -6.252 571 1HG2 VAL 80 1HG2 VAL 80 -7.810 5.334 -7.536 572 2HG2 VAL 80 2HG2 VAL 80 -6.927 5.582 -9.060 573 3HG2 VAL 80 3HG2 VAL 80 -8.260 4.419 -8.996 574 H MET 81 H MET 81 -3.350 2.521 -7.875 575 HA MET 81 HA MET 81 -3.528 0.486 -5.862 576 1HB MET 81 1HB MET 81 -0.743 1.184 -6.830 577 2HB MET 81 2HB MET 81 -1.937 0.773 -8.048 578 1HG MET 81 1HG MET 81 -1.174 -1.375 -7.664 579 2HG MET 81 2HG MET 81 -2.374 -1.348 -6.361 580 1HE MET 81 1HE MET 81 0.104 -3.317 -6.411 581 2HE MET 81 2HE MET 81 0.790 -3.189 -4.763 582 3HE MET 81 3HE MET 81 -0.981 -3.295 -4.984 583 H MET 82 H MET 82 -0.929 2.947 -5.897 584 HA MET 82 HA MET 82 -0.059 2.491 -3.157 585 1HB MET 82 1HB MET 82 1.213 3.646 -5.099 586 2HB MET 82 2HB MET 82 1.502 4.186 -3.455 587 1HG MET 82 1HG MET 82 -0.597 5.901 -4.280 588 2HG MET 82 2HG MET 82 0.287 5.630 -5.786 589 1HE MET 82 1HE MET 82 3.159 5.092 -3.271 590 2HE MET 82 2HE MET 82 4.040 6.430 -4.066 591 3HE MET 82 3HE MET 82 3.231 5.183 -5.060 592 H VAL 83 H VAL 83 -2.527 4.564 -4.541 593 HA VAL 83 HA VAL 83 -2.832 6.580 -2.470 594 HB VAL 83 HB VAL 83 -4.130 6.019 -4.917 595 1HG1 VAL 83 1HG1 VAL 83 -4.834 8.333 -3.007 596 2HG1 VAL 83 2HG1 VAL 83 -3.346 8.285 -3.962 597 3HG1 VAL 83 3HG1 VAL 83 -4.922 8.318 -4.787 598 1HG2 VAL 83 1HG2 VAL 83 -6.535 6.210 -4.545 599 2HG2 VAL 83 2HG2 VAL 83 -5.989 4.825 -3.571 600 3HG2 VAL 83 3HG2 VAL 83 -6.330 6.372 -2.782 601 NH1 ARG 84 NH1 ARG 84 -5.282 -2.159 -2.216 602 NH2 ARG 84 NH2 ARG 84 -7.312 -2.916 -1.533 603 H ARG 84 H ARG 84 -4.156 3.320 -2.862 604 HA ARG 84 HA ARG 84 -6.231 3.270 -0.821 605 1HB ARG 84 1HB ARG 84 -4.584 1.165 -2.233 606 2HB ARG 84 2HB ARG 84 -5.289 0.693 -0.694 607 1HG ARG 84 1HG ARG 84 -7.473 0.744 -1.452 608 2HG ARG 84 2HG ARG 84 -7.206 2.100 -2.550 609 1HD ARG 84 1HD ARG 84 -5.601 0.065 -3.692 610 2HD ARG 84 2HD ARG 84 -7.179 0.591 -4.282 611 HE ARG 84 HE ARG 84 -8.127 -1.466 -3.419 612 1HH1 ARG 84 1HH1 ARG 84 -8.332 -2.807 -1.561 613 2HH1 ARG 84 2HH1 ARG 84 -6.782 -3.607 -0.990 614 1HH2 ARG 84 1HH2 ARG 84 -4.752 -1.456 -2.742 615 2HH2 ARG 84 2HH2 ARG 84 -4.895 -2.922 -1.649 616 H GLN 85 H GLN 85 -2.738 2.573 -0.642 617 HA GLN 85 HA GLN 85 -2.724 1.806 2.232 618 1HB GLN 85 1HB GLN 85 -0.498 1.286 1.967 619 2HB GLN 85 2HB GLN 85 -1.042 1.159 0.305 620 1HG GLN 85 1HG GLN 85 -0.241 3.873 0.497 621 2HG GLN 85 2HG GLN 85 0.609 2.574 -0.309 622 1HE2 GLN 85 1HE2 GLN 85 3.150 3.905 2.024 623 2HE2 GLN 85 2HE2 GLN 85 2.255 4.401 0.501 624 H MET 86 H MET 86 -2.210 4.742 0.362 625 HA MET 86 HA MET 86 -0.917 6.420 2.376 626 1HB MET 86 1HB MET 86 -2.033 6.830 -0.318 627 2HB MET 86 2HB MET 86 -2.482 8.160 0.734 628 1HG MET 86 1HG MET 86 0.187 7.490 -0.412 629 2HG MET 86 2HG MET 86 0.271 7.842 1.322 630 1HE MET 86 1HE MET 86 -2.159 9.178 -1.631 631 2HE MET 86 2HE MET 86 -1.381 10.756 -1.951 632 3HE MET 86 3HE MET 86 -0.500 9.242 -2.304 633 H LYS 87 H LYS 87 -4.271 5.622 1.668 634 HA LYS 87 HA LYS 87 -5.809 7.586 3.043 635 1HB LYS 87 1HB LYS 87 -7.618 6.114 3.087 636 2HB LYS 87 2HB LYS 87 -6.636 5.421 1.805 637 1HG LYS 87 1HG LYS 87 -7.041 4.359 4.635 638 2HG LYS 87 2HG LYS 87 -5.609 3.880 3.739 639 1HD LYS 87 1HD LYS 87 -8.549 3.270 3.153 640 2HD LYS 87 2HD LYS 87 -7.401 3.290 1.819 641 1HE LYS 87 1HE LYS 87 -7.071 1.056 2.335 642 2HE LYS 87 2HE LYS 87 -6.001 1.666 3.604 643 1HZ LYS 87 1HZ LYS 87 -8.395 1.802 4.824 644 2HZ LYS 87 2HZ LYS 87 -7.380 0.502 4.922 645 3HZ LYS 87 3HZ LYS 87 -8.637 0.489 3.850 646 H GLU 88 H GLU 88 -6.442 7.944 5.122 647 HA GLU 88 HA GLU 88 -4.629 7.696 7.305 648 1HB GLU 88 1HB GLU 88 -6.413 9.310 7.405 649 2HB GLU 88 2HB GLU 88 -7.662 8.082 7.334 650 1HG GLU 88 1HG GLU 88 -6.501 7.251 9.655 651 2HG GLU 88 2HG GLU 88 -7.743 8.491 9.608 652 H ASP 89 H ASP 89 -7.274 5.547 6.323 653 HA ASP 89 HA ASP 89 -7.019 3.598 8.522 654 1HB ASP 89 1HB ASP 89 -8.432 3.456 5.815 655 2HB ASP 89 2HB ASP 89 -8.291 2.036 6.825 656 H ALA 90 H ALA 90 -5.956 1.685 8.609 657 HA ALA 90 HA ALA 90 -4.003 0.896 6.394 658 1HB ALA 90 1HB ALA 90 -2.128 0.651 8.042 659 2HB ALA 90 2HB ALA 90 -2.672 2.338 7.956 660 3HB ALA 90 3HB ALA 90 -3.142 1.324 9.342 Start of MODEL 37 Raw file had 660 H/Q atoms Start of MODEL 37 1 1H ALA 1 1H ALA 1 -22.468 -1.184 -15.332 2 2H ALA 1 2H ALA 1 -23.006 0.121 -16.245 3 3H ALA 1 3H ALA 1 -22.394 -1.245 -17.011 4 HA ALA 1 HA ALA 1 -20.269 -0.752 -16.666 5 1HB ALA 1 1HB ALA 1 -21.177 2.135 -16.290 6 2HB ALA 1 2HB ALA 1 -21.670 1.275 -17.760 7 3HB ALA 1 3HB ALA 1 -19.939 1.482 -17.389 8 H SER 2 H SER 2 -18.597 0.098 -15.291 9 HA SER 2 HA SER 2 -19.205 1.169 -12.541 10 1HB SER 2 1HB SER 2 -19.711 -1.190 -12.160 11 2HB SER 2 2HB SER 2 -18.178 -1.704 -12.870 12 HG SER 2 HG SER 2 -18.743 -0.679 -10.399 13 H MET 3 H MET 3 -17.829 2.826 -12.915 14 HA MET 3 HA MET 3 -14.950 2.609 -12.523 15 1HB MET 3 1HB MET 3 -14.112 3.166 -14.831 16 2HB MET 3 2HB MET 3 -14.731 1.534 -14.656 17 1HG MET 3 1HG MET 3 -16.832 2.140 -15.853 18 2HG MET 3 2HG MET 3 -16.361 3.844 -15.887 19 1HE MET 3 1HE MET 3 -17.081 2.297 -18.745 20 2HE MET 3 2HE MET 3 -16.703 0.816 -17.817 21 3HE MET 3 3HE MET 3 -15.789 1.189 -19.307 22 H THR 4 H THR 4 -13.978 4.766 -13.813 23 HA THR 4 HA THR 4 -14.166 7.103 -14.366 24 HB THR 4 HB THR 4 -16.947 7.232 -13.174 25 HG1 THR 4 HG1 THR 4 -16.018 6.205 -15.605 26 1HG2 THR 4 1HG2 THR 4 -17.191 8.860 -15.259 27 2HG2 THR 4 2HG2 THR 4 -15.424 9.012 -15.140 28 3HG2 THR 4 3HG2 THR 4 -16.456 9.475 -13.763 29 H ASP 5 H ASP 5 -16.031 6.605 -11.341 30 HA ASP 5 HA ASP 5 -14.550 8.668 -9.827 31 1HB ASP 5 1HB ASP 5 -17.007 7.843 -9.435 32 2HB ASP 5 2HB ASP 5 -16.026 8.362 -8.083 33 H GLN 6 H GLN 6 -14.250 5.215 -10.288 34 HA GLN 6 HA GLN 6 -12.821 4.263 -8.021 35 1HB GLN 6 1HB GLN 6 -11.808 3.323 -10.713 36 2HB GLN 6 2HB GLN 6 -13.522 3.136 -10.395 37 1HG GLN 6 1HG GLN 6 -12.634 1.074 -9.694 38 2HG GLN 6 2HG GLN 6 -12.872 1.922 -8.183 39 1HE2 GLN 6 1HE2 GLN 6 -8.981 1.182 -9.465 40 2HE2 GLN 6 2HE2 GLN 6 -10.405 1.051 -10.614 41 H GLN 7 H GLN 7 -11.589 6.089 -10.804 42 HA GLN 7 HA GLN 7 -8.772 6.194 -9.599 43 1HB GLN 7 1HB GLN 7 -9.256 5.412 -12.089 44 2HB GLN 7 2HB GLN 7 -7.881 6.441 -11.713 45 1HG GLN 7 1HG GLN 7 -9.844 8.361 -12.276 46 2HG GLN 7 2HG GLN 7 -8.561 7.842 -13.358 47 1HE2 GLN 7 1HE2 GLN 7 -11.075 5.370 -14.885 48 2HE2 GLN 7 2HE2 GLN 7 -9.499 5.203 -13.959 49 H ALA 8 H ALA 8 -11.398 8.185 -10.935 50 HA ALA 8 HA ALA 8 -10.387 10.820 -10.917 51 1HB ALA 8 1HB ALA 8 -12.702 11.612 -10.455 52 2HB ALA 8 2HB ALA 8 -12.699 10.273 -11.619 53 3HB ALA 8 3HB ALA 8 -13.191 9.983 -9.931 54 H GLU 9 H GLU 9 -11.190 8.796 -8.157 55 HA GLU 9 HA GLU 9 -11.306 10.817 -6.042 56 1HB GLU 9 1HB GLU 9 -10.870 8.908 -4.423 57 2HB GLU 9 2HB GLU 9 -12.268 8.729 -5.473 58 1HG GLU 9 1HG GLU 9 -11.542 6.683 -6.103 59 2HG GLU 9 2HG GLU 9 -10.168 7.417 -6.923 60 H ALA 10 H ALA 10 -8.659 8.643 -7.073 61 HA ALA 10 HA ALA 10 -6.652 9.584 -5.155 62 1HB ALA 10 1HB ALA 10 -5.021 8.320 -6.546 63 2HB ALA 10 2HB ALA 10 -6.489 7.369 -6.252 64 3HB ALA 10 3HB ALA 10 -6.225 8.128 -7.843 65 NH1 ARG 11 NH1 ARG 11 -6.514 13.818 -14.578 66 NH2 ARG 11 NH2 ARG 11 -8.722 14.322 -14.411 67 H ARG 11 H ARG 11 -7.710 10.726 -8.287 68 HA ARG 11 HA ARG 11 -5.311 12.281 -9.103 69 1HB ARG 11 1HB ARG 11 -8.236 12.595 -10.026 70 2HB ARG 11 2HB ARG 11 -6.838 13.372 -10.754 71 1HG ARG 11 1HG ARG 11 -5.959 10.775 -10.898 72 2HG ARG 11 2HG ARG 11 -7.698 10.479 -10.949 73 1HD ARG 11 1HD ARG 11 -5.929 11.816 -12.992 74 2HD ARG 11 2HD ARG 11 -7.346 10.795 -13.244 75 HE ARG 11 HE ARG 11 -8.488 13.156 -12.197 76 1HH1 ARG 11 1HH1 ARG 11 -9.614 14.162 -13.929 77 2HH1 ARG 11 2HH1 ARG 11 -8.556 14.951 -15.204 78 1HH2 ARG 11 1HH2 ARG 11 -5.725 13.257 -14.239 79 2HH2 ARG 11 2HH2 ARG 11 -6.498 14.501 -15.344 80 H ALA 12 H ALA 12 -8.380 13.014 -7.467 81 HA ALA 12 HA ALA 12 -8.069 15.942 -7.302 82 1HB ALA 12 1HB ALA 12 -9.930 15.867 -5.657 83 2HB ALA 12 2HB ALA 12 -10.289 14.870 -7.080 84 3HB ALA 12 3HB ALA 12 -9.808 14.094 -5.551 85 H PHE 13 H PHE 13 -7.006 13.228 -5.327 86 HA PHE 13 HA PHE 13 -6.282 14.751 -2.898 87 1HB PHE 13 1HB PHE 13 -6.829 12.400 -2.707 88 2HB PHE 13 2HB PHE 13 -5.605 11.916 -3.851 89 HD1 PHE 13 HD1 PHE 13 -3.107 13.200 -2.952 90 HD2 PHE 13 HD2 PHE 13 -6.323 11.653 -0.544 91 HE1 PHE 13 HE1 PHE 13 -1.557 12.876 -1.068 92 HE2 PHE 13 HE2 PHE 13 -4.757 11.335 1.325 93 HZ PHE 13 HZ PHE 13 -2.376 11.947 1.072 94 H LEU 14 H LEU 14 -4.497 13.424 -5.684 95 HA LEU 14 HA LEU 14 -1.843 14.564 -4.764 96 1HB LEU 14 1HB LEU 14 -0.824 13.343 -6.603 97 2HB LEU 14 2HB LEU 14 -2.364 13.056 -7.382 98 HG LEU 14 HG LEU 14 -3.059 11.518 -5.508 99 1HD1 LEU 14 1HD1 LEU 14 -1.548 9.627 -6.119 100 2HD1 LEU 14 2HD1 LEU 14 -1.977 10.576 -7.555 101 3HD1 LEU 14 3HD1 LEU 14 -0.365 10.762 -6.819 102 1HD2 LEU 14 1HD2 LEU 14 -0.200 11.951 -4.408 103 2HD2 LEU 14 2HD2 LEU 14 -1.715 12.442 -3.612 104 3HD2 LEU 14 3HD2 LEU 14 -1.358 10.723 -3.836 105 H SER 15 H SER 15 -0.541 15.666 -6.505 106 HA SER 15 HA SER 15 -2.233 17.686 -8.083 107 1HB SER 15 1HB SER 15 0.371 18.621 -6.877 108 2HB SER 15 2HB SER 15 -0.979 18.357 -5.770 109 HG SER 15 HG SER 15 -1.677 19.630 -8.106 110 H GLU 16 H GLU 16 0.090 19.071 -9.020 111 HA GLU 16 HA GLU 16 0.847 17.319 -11.330 112 1HB GLU 16 1HB GLU 16 1.501 20.256 -10.748 113 2HB GLU 16 2HB GLU 16 0.165 19.662 -11.715 114 1HG GLU 16 1HG GLU 16 2.980 18.842 -12.561 115 2HG GLU 16 2HG GLU 16 1.554 19.091 -13.554 116 H GLU 17 H GLU 17 2.320 18.735 -8.472 117 HA GLU 17 HA GLU 17 5.151 18.101 -9.230 118 1HB GLU 17 1HB GLU 17 5.482 19.814 -7.843 119 2HB GLU 17 2HB GLU 17 5.331 18.656 -6.536 120 1HG GLU 17 1HG GLU 17 2.756 19.241 -6.540 121 2HG GLU 17 2HG GLU 17 3.175 20.582 -7.592 122 H MET 18 H MET 18 2.648 16.807 -7.069 123 HA MET 18 HA MET 18 4.276 14.737 -5.733 124 1HB MET 18 1HB MET 18 2.078 13.713 -5.042 125 2HB MET 18 2HB MET 18 1.227 14.842 -6.080 126 1HG MET 18 1HG MET 18 2.840 15.543 -3.554 127 2HG MET 18 2HG MET 18 2.265 16.776 -4.689 128 1HE MET 18 1HE MET 18 0.167 18.033 -4.192 129 2HE MET 18 2HE MET 18 -0.838 17.616 -2.772 130 3HE MET 18 3HE MET 18 0.921 17.872 -2.575 131 H ILE 19 H ILE 19 2.324 14.892 -8.667 132 HA ILE 19 HA ILE 19 2.109 12.042 -9.271 133 HB ILE 19 HB ILE 19 1.800 14.546 -10.948 134 1HG1 ILE 19 1HG1 ILE 19 -0.053 13.533 -9.394 135 2HG1 ILE 19 2HG1 ILE 19 -0.164 12.210 -10.535 136 1HG2 ILE 19 1HG2 ILE 19 1.277 13.209 -13.004 137 2HG2 ILE 19 2HG2 ILE 19 2.956 12.960 -12.527 138 3HG2 ILE 19 3HG2 ILE 19 1.746 11.705 -12.173 139 1HD1 ILE 19 1HD1 ILE 19 -0.884 13.699 -12.381 140 2HD1 ILE 19 2HD1 ILE 19 -1.920 13.923 -10.957 141 3HD1 ILE 19 3HD1 ILE 19 -0.673 15.133 -11.339 142 H ALA 20 H ALA 20 4.571 14.501 -9.887 143 HA ALA 20 HA ALA 20 6.247 13.247 -11.839 144 1HB ALA 20 1HB ALA 20 8.092 14.681 -10.972 145 2HB ALA 20 2HB ALA 20 6.571 15.586 -11.098 146 3HB ALA 20 3HB ALA 20 7.157 15.048 -9.504 147 H GLU 21 H GLU 21 6.176 12.802 -8.314 148 HA GLU 21 HA GLU 21 8.646 11.275 -7.989 149 1HB GLU 21 1HB GLU 21 7.878 10.693 -5.767 150 2HB GLU 21 2HB GLU 21 6.203 11.024 -6.162 151 1HG GLU 21 1HG GLU 21 6.503 13.395 -6.078 152 2HG GLU 21 2HG GLU 21 8.225 13.304 -6.404 153 H PHE 22 H PHE 22 5.315 10.391 -8.746 154 HA PHE 22 HA PHE 22 5.714 7.431 -8.531 155 1HB PHE 22 1HB PHE 22 3.326 8.937 -9.763 156 2HB PHE 22 2HB PHE 22 3.389 7.242 -9.365 157 HD1 PHE 22 HD1 PHE 22 3.619 10.636 -7.710 158 HD2 PHE 22 HD2 PHE 22 2.827 6.439 -7.174 159 HE1 PHE 22 HE1 PHE 22 2.793 11.072 -5.435 160 HE2 PHE 22 HE2 PHE 22 2.004 6.896 -4.900 161 HZ PHE 22 HZ PHE 22 2.006 9.205 -4.019 162 H LYS 23 H LYS 23 5.919 9.908 -10.991 163 HA LYS 23 HA LYS 23 5.618 8.344 -13.442 164 1HB LYS 23 1HB LYS 23 7.054 10.974 -12.828 165 2HB LYS 23 2HB LYS 23 7.275 10.213 -14.388 166 1HG LYS 23 1HG LYS 23 4.907 11.684 -13.302 167 2HG LYS 23 2HG LYS 23 4.483 10.198 -14.136 168 1HD LYS 23 1HD LYS 23 4.468 12.185 -15.672 169 2HD LYS 23 2HD LYS 23 6.185 12.465 -15.355 170 1HE LYS 23 1HE LYS 23 5.570 9.657 -16.260 171 2HE LYS 23 2HE LYS 23 6.881 10.737 -16.758 172 1HZ LYS 23 1HZ LYS 23 4.886 12.011 -17.895 173 2HZ LYS 23 2HZ LYS 23 4.155 10.531 -17.832 174 3HZ LYS 23 3HZ LYS 23 5.590 10.710 -18.630 175 H ALA 24 H ALA 24 8.575 9.376 -11.704 176 HA ALA 24 HA ALA 24 10.601 8.188 -13.332 177 1HB ALA 24 1HB ALA 24 12.061 8.208 -11.319 178 2HB ALA 24 2HB ALA 24 11.127 9.710 -11.451 179 3HB ALA 24 3HB ALA 24 10.654 8.469 -10.262 180 H ALA 25 H ALA 25 9.205 6.751 -10.359 181 HA ALA 25 HA ALA 25 10.443 4.098 -10.636 182 1HB ALA 25 1HB ALA 25 8.918 3.422 -8.791 183 2HB ALA 25 2HB ALA 25 9.695 4.978 -8.442 184 3HB ALA 25 3HB ALA 25 7.990 4.931 -8.958 185 H PHE 26 H PHE 26 7.563 5.561 -11.946 186 HA PHE 26 HA PHE 26 5.898 3.170 -12.386 187 1HB PHE 26 1HB PHE 26 4.836 5.365 -12.462 188 2HB PHE 26 2HB PHE 26 5.835 5.905 -13.785 189 HD1 PHE 26 HD1 PHE 26 5.264 5.249 -16.121 190 HD2 PHE 26 HD2 PHE 26 3.045 3.593 -12.829 191 HE1 PHE 26 HE1 PHE 26 3.550 4.416 -17.681 192 HE2 PHE 26 HE2 PHE 26 1.339 2.772 -14.403 193 HZ PHE 26 HZ PHE 26 1.590 3.176 -16.827 194 H ASP 27 H ASP 27 8.297 4.911 -14.347 195 HA ASP 27 HA ASP 27 8.081 3.255 -16.777 196 1HB ASP 27 1HB ASP 27 10.056 5.348 -15.832 197 2HB ASP 27 2HB ASP 27 10.592 4.244 -17.078 198 H MET 28 H MET 28 10.149 3.194 -13.899 199 HA MET 28 HA MET 28 12.038 1.131 -14.504 200 1HB MET 28 1HB MET 28 10.796 2.050 -11.913 201 2HB MET 28 2HB MET 28 12.475 2.006 -12.418 202 1HG MET 28 1HG MET 28 10.942 -0.578 -11.742 203 2HG MET 28 2HG MET 28 12.692 -0.374 -11.921 204 1HE MET 28 1HE MET 28 11.881 -1.812 -9.368 205 2HE MET 28 2HE MET 28 11.303 -0.846 -7.978 206 3HE MET 28 3HE MET 28 10.229 -1.117 -9.382 207 H PHE 29 H PHE 29 8.862 0.655 -12.920 208 HA PHE 29 HA PHE 29 8.651 -2.187 -12.974 209 1HB PHE 29 1HB PHE 29 6.383 -0.145 -13.370 210 2HB PHE 29 2HB PHE 29 6.099 -1.856 -13.195 211 HD1 PHE 29 HD1 PHE 29 7.906 -2.740 -11.024 212 HD2 PHE 29 HD2 PHE 29 5.754 0.973 -11.376 213 HE1 PHE 29 HE1 PHE 29 7.901 -2.496 -8.575 214 HE2 PHE 29 HE2 PHE 29 5.754 1.191 -8.925 215 HZ PHE 29 HZ PHE 29 6.812 -0.544 -7.522 216 H ASP 30 H ASP 30 7.785 0.145 -15.529 217 HA ASP 30 HA ASP 30 6.767 -1.649 -17.560 218 1HB ASP 30 1HB ASP 30 8.405 0.802 -18.351 219 2HB ASP 30 2HB ASP 30 6.876 1.000 -17.526 220 H ALA 31 H ALA 31 7.728 -2.727 -19.250 221 HA ALA 31 HA ALA 31 10.727 -3.337 -18.989 222 1HB ALA 31 1HB ALA 31 10.201 -5.636 -19.809 223 2HB ALA 31 2HB ALA 31 9.325 -5.255 -18.314 224 3HB ALA 31 3HB ALA 31 8.466 -5.247 -19.876 225 H ASP 32 H ASP 32 7.984 -2.932 -21.204 226 HA ASP 32 HA ASP 32 9.701 -3.091 -23.687 227 1HB ASP 32 1HB ASP 32 7.808 -3.955 -24.529 228 2HB ASP 32 2HB ASP 32 7.233 -2.309 -24.650 229 H GLY 33 H GLY 33 7.111 -0.755 -22.997 230 1HA GLY 33 1HA GLY 33 8.190 1.714 -22.392 231 2HA GLY 33 2HA GLY 33 8.879 1.501 -23.985 232 H GLY 34 H GLY 34 5.663 0.700 -22.630 233 1HA GLY 34 1HA GLY 34 4.260 2.331 -24.811 234 2HA GLY 34 2HA GLY 34 3.496 1.067 -23.838 235 H GLY 35 H GLY 35 1.882 2.169 -22.925 236 1HA GLY 35 1HA GLY 35 2.590 4.338 -20.864 237 2HA GLY 35 2HA GLY 35 1.150 4.517 -21.877 238 H ASP 36 H ASP 36 2.367 1.475 -20.561 239 HA ASP 36 HA ASP 36 0.419 1.315 -18.293 240 1HB ASP 36 1HB ASP 36 -0.330 -1.018 -19.767 241 2HB ASP 36 2HB ASP 36 -1.330 0.321 -19.252 242 H ILE 37 H ILE 37 0.359 -1.371 -17.913 243 HA ILE 37 HA ILE 37 3.206 -2.444 -18.065 244 HB ILE 37 HB ILE 37 1.911 -3.001 -15.456 245 1HG1 ILE 37 1HG1 ILE 37 2.401 -0.135 -16.197 246 2HG1 ILE 37 2HG1 ILE 37 1.362 -0.826 -14.965 247 1HG2 ILE 37 1HG2 ILE 37 4.228 -2.912 -14.622 248 2HG2 ILE 37 2HG2 ILE 37 4.163 -3.874 -16.106 249 3HG2 ILE 37 3HG2 ILE 37 4.802 -2.214 -16.156 250 1HD1 ILE 37 1HD1 ILE 37 4.395 -0.405 -14.649 251 2HD1 ILE 37 2HD1 ILE 37 3.085 0.501 -13.860 252 3HD1 ILE 37 3HD1 ILE 37 3.351 -1.208 -13.445 253 H SER 38 H SER 38 2.976 -4.749 -16.743 254 HA SER 38 HA SER 38 0.525 -6.286 -17.630 255 1HB SER 38 1HB SER 38 2.312 -5.951 -19.607 256 2HB SER 38 2HB SER 38 1.388 -7.443 -19.412 257 HG SER 38 HG SER 38 3.196 -8.388 -19.195 258 H THR 39 H THR 39 1.377 -8.792 -17.447 259 HA THR 39 HA THR 39 2.047 -9.147 -14.531 260 HB THR 39 HB THR 39 1.687 -11.666 -15.111 261 HG1 THR 39 HG1 THR 39 0.759 -12.119 -16.936 262 1HG2 THR 39 1HG2 THR 39 -0.753 -11.522 -14.875 263 2HG2 THR 39 2HG2 THR 39 -0.007 -10.295 -13.826 264 3HG2 THR 39 3HG2 THR 39 -0.762 -9.813 -15.368 265 H LYS 40 H LYS 40 3.434 -9.741 -17.719 266 HA LYS 40 HA LYS 40 5.730 -11.397 -16.871 267 1HB LYS 40 1HB LYS 40 5.348 -9.721 -19.408 268 2HB LYS 40 2HB LYS 40 4.823 -11.374 -19.229 269 1HG LYS 40 1HG LYS 40 7.766 -10.553 -18.850 270 2HG LYS 40 2HG LYS 40 7.153 -12.147 -19.203 271 1HD LYS 40 1HD LYS 40 8.376 -10.937 -21.145 272 2HD LYS 40 2HD LYS 40 6.869 -11.741 -21.474 273 1HE LYS 40 1HE LYS 40 6.260 -9.891 -22.584 274 2HE LYS 40 2HE LYS 40 5.835 -9.230 -21.011 275 1HZ LYS 40 1HZ LYS 40 8.626 -8.877 -21.802 276 2HZ LYS 40 2HZ LYS 40 7.585 -7.799 -21.105 277 3HZ LYS 40 3HZ LYS 40 7.522 -8.074 -22.733 278 H GLU 41 H GLU 41 5.056 -7.954 -17.268 279 HA GLU 41 HA GLU 41 7.864 -6.998 -16.979 280 1HB GLU 41 1HB GLU 41 7.000 -4.745 -17.029 281 2HB GLU 41 2HB GLU 41 5.368 -5.275 -16.682 282 1HG GLU 41 1HG GLU 41 6.916 -5.706 -19.308 283 2HG GLU 41 2HG GLU 41 5.410 -6.529 -18.960 284 H LEU 42 H LEU 42 4.936 -6.722 -14.935 285 HA LEU 42 HA LEU 42 6.191 -5.495 -12.611 286 1HB LEU 42 1HB LEU 42 3.655 -7.225 -12.785 287 2HB LEU 42 2HB LEU 42 3.736 -5.484 -12.939 288 HG LEU 42 HG LEU 42 4.851 -6.501 -10.343 289 1HD1 LEU 42 1HD1 LEU 42 3.502 -4.594 -9.428 290 2HD1 LEU 42 2HD1 LEU 42 4.540 -4.066 -10.761 291 3HD1 LEU 42 3HD1 LEU 42 2.796 -4.302 -11.038 292 1HD2 LEU 42 1HD2 LEU 42 1.823 -6.817 -10.897 293 2HD2 LEU 42 2HD2 LEU 42 2.973 -8.142 -10.594 294 3HD2 LEU 42 3HD2 LEU 42 2.619 -6.973 -9.310 295 H GLY 43 H GLY 43 5.763 -8.847 -13.617 296 1HA GLY 43 1HA GLY 43 6.397 -10.248 -11.125 297 2HA GLY 43 2HA GLY 43 6.549 -10.950 -12.742 298 H THR 44 H THR 44 8.370 -8.904 -13.726 299 HA THR 44 HA THR 44 10.902 -10.278 -13.000 300 HB THR 44 HB THR 44 10.122 -8.244 -15.069 301 HG1 THR 44 HG1 THR 44 10.852 -9.750 -16.336 302 1HG2 THR 44 1HG2 THR 44 12.492 -7.838 -15.755 303 2HG2 THR 44 2HG2 THR 44 12.146 -7.101 -14.177 304 3HG2 THR 44 3HG2 THR 44 13.072 -8.622 -14.264 305 H VAL 45 H VAL 45 9.665 -6.948 -12.688 306 HA VAL 45 HA VAL 45 11.920 -5.679 -11.446 307 HB VAL 45 HB VAL 45 9.123 -4.972 -11.852 308 1HG1 VAL 45 1HG1 VAL 45 8.803 -3.356 -9.978 309 2HG1 VAL 45 2HG1 VAL 45 8.887 -5.009 -9.356 310 3HG1 VAL 45 3HG1 VAL 45 10.294 -3.934 -9.188 311 1HG2 VAL 45 1HG2 VAL 45 11.600 -3.182 -11.382 312 2HG2 VAL 45 2HG2 VAL 45 11.019 -3.760 -12.961 313 3HG2 VAL 45 3HG2 VAL 45 10.023 -2.644 -12.017 314 H MET 46 H MET 46 9.302 -7.620 -10.059 315 HA MET 46 HA MET 46 9.984 -7.196 -7.201 316 1HB MET 46 1HB MET 46 8.265 -9.386 -8.509 317 2HB MET 46 2HB MET 46 8.479 -9.195 -6.778 318 1HG MET 46 1HG MET 46 6.915 -7.423 -8.698 319 2HG MET 46 2HG MET 46 7.607 -6.673 -7.249 320 1HE MET 46 1HE MET 46 4.598 -6.406 -7.325 321 2HE MET 46 2HE MET 46 4.049 -7.115 -5.778 322 3HE MET 46 3HE MET 46 5.509 -6.084 -5.817 323 NH1 ARG 47 NH1 ARG 47 17.132 -13.145 -8.769 324 NH2 ARG 47 NH2 ARG 47 17.767 -13.628 -10.897 325 H ARG 47 H ARG 47 10.744 -9.597 -9.684 326 HA ARG 47 HA ARG 47 12.193 -11.653 -8.346 327 1HB ARG 47 1HB ARG 47 11.910 -10.914 -11.011 328 2HB ARG 47 2HB ARG 47 13.614 -10.571 -10.746 329 1HG ARG 47 1HG ARG 47 13.315 -12.881 -11.592 330 2HG ARG 47 2HG ARG 47 12.238 -13.278 -10.253 331 1HD ARG 47 1HD ARG 47 14.540 -12.357 -8.884 332 2HD ARG 47 2HD ARG 47 14.067 -14.032 -9.124 333 HE ARG 47 HE ARG 47 15.447 -13.570 -11.501 334 1HH1 ARG 47 1HH1 ARG 47 16.362 -12.954 -8.118 335 2HH1 ARG 47 2HH1 ARG 47 18.132 -13.178 -8.544 336 1HH2 ARG 47 1HH2 ARG 47 17.486 -13.804 -11.868 337 2HH2 ARG 47 2HH2 ARG 47 18.723 -13.627 -10.524 338 H MET 48 H MET 48 13.092 -8.295 -8.898 339 HA MET 48 HA MET 48 15.876 -8.577 -7.763 340 1HB MET 48 1HB MET 48 14.317 -6.293 -9.021 341 2HB MET 48 2HB MET 48 15.615 -5.893 -7.911 342 1HG MET 48 1HG MET 48 16.856 -7.799 -9.595 343 2HG MET 48 2HG MET 48 15.785 -6.921 -10.699 344 1HE MET 48 1HE MET 48 15.522 -3.988 -10.115 345 2HE MET 48 2HE MET 48 17.044 -3.282 -10.732 346 3HE MET 48 3HE MET 48 16.225 -4.579 -11.652 347 H LEU 49 H LEU 49 14.951 -9.542 -5.794 348 HA LEU 49 HA LEU 49 14.880 -7.462 -3.611 349 1HB LEU 49 1HB LEU 49 12.550 -9.442 -3.950 350 2HB LEU 49 2HB LEU 49 12.457 -7.705 -4.149 351 HG LEU 49 HG LEU 49 13.511 -8.120 -1.493 352 1HD1 LEU 49 1HD1 LEU 49 11.394 -6.997 -0.791 353 2HD1 LEU 49 2HD1 LEU 49 12.086 -6.196 -2.214 354 3HD1 LEU 49 3HD1 LEU 49 10.681 -7.275 -2.401 355 1HD2 LEU 49 1HD2 LEU 49 11.046 -9.915 -2.021 356 2HD2 LEU 49 2HD2 LEU 49 12.663 -10.473 -1.526 357 3HD2 LEU 49 3HD2 LEU 49 11.696 -9.489 -0.418 358 H GLY 50 H GLY 50 13.845 -10.867 -3.690 359 1HA GLY 50 1HA GLY 50 15.327 -11.875 -1.456 360 2HA GLY 50 2HA GLY 50 16.468 -11.997 -2.803 361 H GLN 51 H GLN 51 12.944 -12.361 -2.937 362 HA GLN 51 HA GLN 51 13.015 -15.372 -3.138 363 1HB GLN 51 1HB GLN 51 10.791 -15.345 -2.667 364 2HB GLN 51 2HB GLN 51 11.162 -13.743 -2.058 365 1HG GLN 51 1HG GLN 51 10.500 -12.852 -4.443 366 2HG GLN 51 2HG GLN 51 9.840 -14.445 -4.740 367 1HE2 GLN 51 1HE2 GLN 51 7.589 -11.772 -2.706 368 2HE2 GLN 51 2HE2 GLN 51 9.188 -11.373 -3.512 369 H ASN 52 H ASN 52 11.189 -15.959 -5.013 370 HA ASN 52 HA ASN 52 11.827 -14.671 -7.633 371 1HB ASN 52 1HB ASN 52 13.747 -16.352 -6.972 372 2HB ASN 52 2HB ASN 52 12.624 -17.624 -7.401 373 1HD2 ASN 52 1HD2 ASN 52 14.804 -16.532 -10.380 374 2HD2 ASN 52 2HD2 ASN 52 15.178 -16.887 -8.618 375 HA PRO 53 HA PRO 53 7.573 -16.733 -7.403 376 1HB PRO 53 1HB PRO 53 6.072 -14.786 -8.656 377 2HB PRO 53 2HB PRO 53 6.639 -14.679 -6.983 378 1HG PRO 53 1HG PRO 53 7.859 -13.363 -9.454 379 2HG PRO 53 2HG PRO 53 7.550 -12.632 -7.862 380 1HD PRO 53 1HD PRO 53 9.561 -13.569 -6.949 381 2HD PRO 53 2HD PRO 53 10.048 -13.665 -8.668 382 H THR 54 H THR 54 5.841 -16.981 -9.301 383 HA THR 54 HA THR 54 7.275 -17.721 -11.906 384 HB THR 54 HB THR 54 6.817 -19.776 -10.734 385 HG1 THR 54 HG1 THR 54 4.724 -19.943 -12.472 386 1HG2 THR 54 1HG2 THR 54 4.561 -20.596 -10.139 387 2HG2 THR 54 2HG2 THR 54 4.919 -19.110 -9.230 388 3HG2 THR 54 3HG2 THR 54 3.821 -19.054 -10.633 389 H LYS 55 H LYS 55 5.814 -17.835 -13.770 390 HA LYS 55 HA LYS 55 4.445 -15.258 -14.120 391 1HB LYS 55 1HB LYS 55 5.160 -17.589 -15.865 392 2HB LYS 55 2HB LYS 55 5.339 -15.871 -16.155 393 1HG LYS 55 1HG LYS 55 2.569 -16.160 -16.321 394 2HG LYS 55 2HG LYS 55 3.680 -16.047 -17.674 395 1HD LYS 55 1HD LYS 55 3.851 -18.783 -17.169 396 2HD LYS 55 2HD LYS 55 2.748 -18.043 -18.319 397 1HE LYS 55 1HE LYS 55 2.027 -19.683 -16.148 398 2HE LYS 55 2HE LYS 55 1.599 -18.078 -15.560 399 1HZ LYS 55 1HZ LYS 55 -0.103 -19.404 -16.939 400 2HZ LYS 55 2HZ LYS 55 0.760 -18.948 -18.272 401 3HZ LYS 55 3HZ LYS 55 0.073 -17.802 -17.301 402 H GLU 56 H GLU 56 3.403 -18.597 -13.640 403 HA GLU 56 HA GLU 56 0.531 -18.245 -14.113 404 1HB GLU 56 1HB GLU 56 2.294 -20.418 -13.320 405 2HB GLU 56 2HB GLU 56 0.910 -20.411 -12.246 406 1HG GLU 56 1HG GLU 56 0.921 -21.746 -14.606 407 2HG GLU 56 2HG GLU 56 0.399 -20.199 -15.252 408 H GLU 57 H GLU 57 2.613 -18.009 -11.259 409 HA GLU 57 HA GLU 57 0.498 -17.669 -9.210 410 1HB GLU 57 1HB GLU 57 3.459 -16.918 -9.097 411 2HB GLU 57 2HB GLU 57 2.753 -18.445 -8.612 412 1HG GLU 57 1HG GLU 57 1.522 -16.109 -7.180 413 2HG GLU 57 2HG GLU 57 2.079 -17.649 -6.537 414 H LEU 58 H LEU 58 2.309 -15.553 -11.365 415 HA LEU 58 HA LEU 58 1.724 -12.983 -10.095 416 1HB LEU 58 1HB LEU 58 2.853 -13.897 -12.738 417 2HB LEU 58 2HB LEU 58 2.173 -12.283 -12.716 418 HG LEU 58 HG LEU 58 3.987 -12.827 -10.388 419 1HD1 LEU 58 1HD1 LEU 58 4.175 -10.625 -12.548 420 2HD1 LEU 58 2HD1 LEU 58 3.152 -10.490 -11.110 421 3HD1 LEU 58 3HD1 LEU 58 4.919 -10.613 -10.929 422 1HD2 LEU 58 1HD2 LEU 58 6.103 -12.924 -11.651 423 2HD2 LEU 58 2HD2 LEU 58 5.066 -14.269 -12.186 424 3HD2 LEU 58 3HD2 LEU 58 5.238 -12.829 -13.206 425 H ASP 59 H ASP 59 0.104 -14.966 -12.523 426 HA ASP 59 HA ASP 59 -1.951 -13.213 -13.539 427 1HB ASP 59 1HB ASP 59 -2.105 -16.236 -13.029 428 2HB ASP 59 2HB ASP 59 -1.620 -15.438 -14.507 429 H ALA 60 H ALA 60 -1.697 -14.982 -10.494 430 HA ALA 60 HA ALA 60 -4.457 -14.419 -9.524 431 1HB ALA 60 1HB ALA 60 -3.669 -15.410 -7.380 432 2HB ALA 60 2HB ALA 60 -3.245 -16.437 -8.764 433 3HB ALA 60 3HB ALA 60 -1.992 -15.444 -7.975 434 H ILE 61 H ILE 61 -1.209 -13.087 -8.984 435 HA ILE 61 HA ILE 61 -1.667 -11.100 -6.953 436 HB ILE 61 HB ILE 61 0.349 -11.451 -9.109 437 1HG1 ILE 61 1HG1 ILE 61 0.250 -11.474 -6.211 438 2HG1 ILE 61 2HG1 ILE 61 1.571 -11.934 -7.263 439 1HG2 ILE 61 1HG2 ILE 61 1.307 -9.133 -8.975 440 2HG2 ILE 61 2HG2 ILE 61 -0.305 -9.097 -9.686 441 3HG2 ILE 61 3HG2 ILE 61 -0.079 -8.597 -7.994 442 1HD1 ILE 61 1HD1 ILE 61 1.151 -9.092 -6.161 443 2HD1 ILE 61 2HD1 ILE 61 2.397 -10.269 -5.692 444 3HD1 ILE 61 3HD1 ILE 61 2.425 -9.558 -7.322 445 H ILE 62 H ILE 62 -2.419 -11.129 -10.407 446 HA ILE 62 HA ILE 62 -3.330 -8.293 -10.574 447 HB ILE 62 HB ILE 62 -3.621 -10.611 -12.549 448 1HG1 ILE 62 1HG1 ILE 62 -1.398 -10.119 -12.884 449 2HG1 ILE 62 2HG1 ILE 62 -1.490 -8.590 -12.037 450 1HG2 ILE 62 1HG2 ILE 62 -4.378 -8.937 -14.261 451 2HG2 ILE 62 2HG2 ILE 62 -5.525 -9.007 -12.925 452 3HG2 ILE 62 3HG2 ILE 62 -4.380 -7.650 -13.030 453 1HD1 ILE 62 1HD1 ILE 62 -2.331 -7.393 -14.040 454 2HD1 ILE 62 2HD1 ILE 62 -0.836 -8.274 -14.417 455 3HD1 ILE 62 3HD1 ILE 62 -2.402 -8.925 -14.954 456 H GLU 63 H GLU 63 -4.823 -11.511 -10.307 457 HA GLU 63 HA GLU 63 -7.606 -10.939 -10.394 458 1HB GLU 63 1HB GLU 63 -6.320 -13.210 -9.961 459 2HB GLU 63 2HB GLU 63 -6.567 -12.853 -8.263 460 1HG GLU 63 1HG GLU 63 -8.447 -14.178 -8.713 461 2HG GLU 63 2HG GLU 63 -9.138 -12.579 -8.928 462 H GLU 64 H GLU 64 -5.276 -10.331 -7.820 463 HA GLU 64 HA GLU 64 -7.202 -9.333 -5.797 464 1HB GLU 64 1HB GLU 64 -4.198 -9.462 -6.017 465 2HB GLU 64 2HB GLU 64 -5.267 -10.111 -4.789 466 1HG GLU 64 1HG GLU 64 -5.096 -7.080 -4.953 467 2HG GLU 64 2HG GLU 64 -3.644 -7.917 -4.431 468 H VAL 65 H VAL 65 -4.929 -7.817 -8.094 469 HA VAL 65 HA VAL 65 -6.178 -5.076 -7.591 470 HB VAL 65 HB VAL 65 -3.444 -5.850 -8.708 471 1HG1 VAL 65 1HG1 VAL 65 -2.963 -3.423 -9.077 472 2HG1 VAL 65 2HG1 VAL 65 -4.290 -3.968 -10.119 473 3HG1 VAL 65 3HG1 VAL 65 -4.644 -2.998 -8.669 474 1HG2 VAL 65 1HG2 VAL 65 -4.211 -4.140 -6.242 475 2HG2 VAL 65 2HG2 VAL 65 -3.547 -5.791 -6.212 476 3HG2 VAL 65 3HG2 VAL 65 -2.556 -4.456 -6.816 477 H ASP 66 H ASP 66 -7.982 -5.209 -8.848 478 HA ASP 66 HA ASP 66 -8.003 -4.482 -11.590 479 1HB ASP 66 1HB ASP 66 -8.880 -7.177 -12.159 480 2HB ASP 66 2HB ASP 66 -7.312 -7.304 -11.395 481 H GLU 67 H GLU 67 -9.514 -3.407 -10.099 482 HA GLU 67 HA GLU 67 -12.113 -4.729 -9.389 483 1HB GLU 67 1HB GLU 67 -10.771 -2.539 -8.366 484 2HB GLU 67 2HB GLU 67 -11.981 -1.736 -9.347 485 1HG GLU 67 1HG GLU 67 -12.561 -2.198 -6.853 486 2HG GLU 67 2HG GLU 67 -13.799 -2.565 -8.042 487 H ASP 68 H ASP 68 -10.752 -2.718 -11.932 488 HA ASP 68 HA ASP 68 -13.350 -2.252 -13.357 489 1HB ASP 68 1HB ASP 68 -11.561 -0.532 -13.497 490 2HB ASP 68 2HB ASP 68 -12.131 -1.067 -15.062 491 H GLY 69 H GLY 69 -10.621 -4.471 -13.500 492 1HA GLY 69 1HA GLY 69 -10.621 -6.778 -14.367 493 2HA GLY 69 2HA GLY 69 -12.237 -6.495 -15.027 494 H SER 70 H SER 70 -9.338 -4.516 -15.515 495 HA SER 70 HA SER 70 -9.592 -4.579 -18.516 496 1HB SER 70 1HB SER 70 -7.579 -3.056 -18.457 497 2HB SER 70 2HB SER 70 -8.983 -2.452 -17.574 498 HG SER 70 HG SER 70 -7.245 -2.192 -16.294 499 H GLY 71 H GLY 71 -7.270 -5.644 -16.012 500 1HA GLY 71 1HA GLY 71 -6.304 -8.041 -16.257 501 2HA GLY 71 2HA GLY 71 -6.105 -7.690 -17.980 502 H THR 72 H THR 72 -5.242 -4.944 -17.563 503 HA THR 72 HA THR 72 -2.347 -5.463 -16.740 504 HB THR 72 HB THR 72 -1.988 -3.205 -18.083 505 HG1 THR 72 HG1 THR 72 -3.412 -2.995 -19.752 506 1HG2 THR 72 1HG2 THR 72 -1.553 -4.405 -20.187 507 2HG2 THR 72 2HG2 THR 72 -0.985 -5.403 -18.830 508 3HG2 THR 72 3HG2 THR 72 -2.508 -5.811 -19.663 509 H ILE 73 H ILE 73 -1.392 -3.018 -16.289 510 HA ILE 73 HA ILE 73 -3.111 -1.667 -14.148 511 HB ILE 73 HB ILE 73 -0.290 -2.760 -13.764 512 1HG1 ILE 73 1HG1 ILE 73 -2.600 -4.020 -13.126 513 2HG1 ILE 73 2HG1 ILE 73 -2.563 -2.963 -11.731 514 1HG2 ILE 73 1HG2 ILE 73 -0.053 -1.448 -11.659 515 2HG2 ILE 73 2HG2 ILE 73 -0.270 -0.342 -13.022 516 3HG2 ILE 73 3HG2 ILE 73 -1.627 -0.661 -11.915 517 1HD1 ILE 73 1HD1 ILE 73 -0.377 -3.850 -10.968 518 2HD1 ILE 73 2HD1 ILE 73 -1.543 -5.167 -11.213 519 3HD1 ILE 73 3HD1 ILE 73 -0.264 -4.884 -12.418 520 H ASP 74 H ASP 74 -3.502 0.123 -15.276 521 HA ASP 74 HA ASP 74 -1.473 1.524 -16.964 522 1HB ASP 74 1HB ASP 74 -3.156 2.994 -17.676 523 2HB ASP 74 2HB ASP 74 -4.057 2.899 -16.180 524 H PHE 75 H PHE 75 -1.596 4.103 -16.519 525 HA PHE 75 HA PHE 75 0.138 4.496 -14.129 526 1HB PHE 75 1HB PHE 75 0.543 5.702 -16.296 527 2HB PHE 75 2HB PHE 75 -0.966 6.559 -16.130 528 HD1 PHE 75 HD1 PHE 75 -1.235 7.957 -13.801 529 HD2 PHE 75 HD2 PHE 75 2.531 6.753 -15.503 530 HE1 PHE 75 HE1 PHE 75 -0.086 9.730 -12.540 531 HE2 PHE 75 HE2 PHE 75 3.662 8.530 -14.226 532 HZ PHE 75 HZ PHE 75 2.361 10.013 -12.742 533 H GLU 76 H GLU 76 -3.152 5.351 -15.134 534 HA GLU 76 HA GLU 76 -3.879 7.035 -12.831 535 1HB GLU 76 1HB GLU 76 -5.959 7.266 -13.738 536 2HB GLU 76 2HB GLU 76 -6.093 5.590 -14.225 537 1HG GLU 76 1HG GLU 76 -4.292 7.587 -15.725 538 2HG GLU 76 2HG GLU 76 -4.737 5.973 -16.238 539 H GLU 77 H GLU 77 -3.987 3.589 -13.508 540 HA GLU 77 HA GLU 77 -5.645 2.814 -11.150 541 1HB GLU 77 1HB GLU 77 -5.653 1.442 -13.201 542 2HB GLU 77 2HB GLU 77 -3.951 1.084 -13.016 543 1HG GLU 77 1HG GLU 77 -4.312 -0.359 -11.113 544 2HG GLU 77 2HG GLU 77 -5.911 0.300 -10.789 545 H PHE 78 H PHE 78 -2.225 3.099 -11.911 546 HA PHE 78 HA PHE 78 -1.083 1.627 -9.643 547 1HB PHE 78 1HB PHE 78 0.229 2.297 -11.691 548 2HB PHE 78 2HB PHE 78 0.144 3.977 -11.227 549 HD1 PHE 78 HD1 PHE 78 1.762 0.707 -10.578 550 HD2 PHE 78 HD2 PHE 78 1.464 4.764 -9.175 551 HE1 PHE 78 HE1 PHE 78 3.799 0.402 -9.229 552 HE2 PHE 78 HE2 PHE 78 3.499 4.439 -7.831 553 HZ PHE 78 HZ PHE 78 4.671 2.264 -7.856 554 H LEU 79 H LEU 79 -1.695 5.107 -10.177 555 HA LEU 79 HA LEU 79 -0.849 6.101 -7.583 556 1HB LEU 79 1HB LEU 79 -2.657 7.205 -9.765 557 2HB LEU 79 2HB LEU 79 -2.697 7.989 -8.200 558 HG LEU 79 HG LEU 79 -0.053 8.137 -8.431 559 1HD1 LEU 79 1HD1 LEU 79 0.777 8.258 -10.782 560 2HD1 LEU 79 2HD1 LEU 79 0.169 6.633 -10.417 561 3HD1 LEU 79 3HD1 LEU 79 -0.814 7.746 -11.399 562 1HD2 LEU 79 1HD2 LEU 79 -1.894 9.895 -10.190 563 2HD2 LEU 79 2HD2 LEU 79 -1.513 10.167 -8.472 564 3HD2 LEU 79 3HD2 LEU 79 -0.235 10.310 -9.688 565 H VAL 80 H VAL 80 -3.862 4.664 -8.682 566 HA VAL 80 HA VAL 80 -5.582 5.350 -6.418 567 HB VAL 80 HB VAL 80 -5.748 3.158 -8.517 568 1HG1 VAL 80 1HG1 VAL 80 -7.720 5.449 -7.917 569 2HG1 VAL 80 2HG1 VAL 80 -6.382 5.603 -9.063 570 3HG1 VAL 80 3HG1 VAL 80 -7.662 4.404 -9.360 571 1HG2 VAL 80 1HG2 VAL 80 -7.916 2.374 -7.681 572 2HG2 VAL 80 2HG2 VAL 80 -6.750 2.195 -6.350 573 3HG2 VAL 80 3HG2 VAL 80 -7.897 3.542 -6.337 574 H MET 81 H MET 81 -3.669 2.413 -7.152 575 HA MET 81 HA MET 81 -4.132 0.816 -4.799 576 1HB MET 81 1HB MET 81 -1.859 -0.205 -5.186 577 2HB MET 81 2HB MET 81 -1.497 1.049 -6.359 578 1HG MET 81 1HG MET 81 -3.719 0.179 -7.601 579 2HG MET 81 2HG MET 81 -3.452 -1.279 -6.630 580 1HE MET 81 1HE MET 81 -1.336 -2.805 -6.683 581 2HE MET 81 2HE MET 81 0.095 -2.534 -7.722 582 3HE MET 81 3HE MET 81 -0.205 -1.462 -6.324 583 H MET 82 H MET 82 -1.518 3.187 -5.374 584 HA MET 82 HA MET 82 -0.359 3.015 -2.669 585 1HB MET 82 1HB MET 82 0.054 4.874 -5.038 586 2HB MET 82 2HB MET 82 0.704 5.347 -3.480 587 1HG MET 82 1HG MET 82 2.209 3.964 -5.174 588 2HG MET 82 2HG MET 82 1.302 2.555 -4.609 589 1HE MET 82 1HE MET 82 4.626 2.840 -4.149 590 2HE MET 82 2HE MET 82 3.525 1.456 -3.880 591 3HE MET 82 3HE MET 82 4.588 2.018 -2.557 592 H VAL 83 H VAL 83 -2.973 4.856 -4.070 593 HA VAL 83 HA VAL 83 -2.988 7.173 -2.249 594 HB VAL 83 HB VAL 83 -4.627 6.257 -4.495 595 1HG1 VAL 83 1HG1 VAL 83 -6.801 7.311 -3.851 596 2HG1 VAL 83 2HG1 VAL 83 -6.455 5.917 -2.818 597 3HG1 VAL 83 3HG1 VAL 83 -6.213 7.562 -2.187 598 1HG2 VAL 83 1HG2 VAL 83 -4.287 9.067 -3.252 599 2HG2 VAL 83 2HG2 VAL 83 -3.294 8.382 -4.559 600 3HG2 VAL 83 3HG2 VAL 83 -5.010 8.705 -4.841 601 NH1 ARG 84 NH1 ARG 84 -9.468 -0.605 -1.652 602 NH2 ARG 84 NH2 ARG 84 -8.119 -2.362 -2.156 603 H ARG 84 H ARG 84 -4.613 4.015 -2.314 604 HA ARG 84 HA ARG 84 -6.559 4.325 -0.172 605 1HB ARG 84 1HB ARG 84 -5.183 1.945 -1.454 606 2HB ARG 84 2HB ARG 84 -5.932 1.691 0.115 607 1HG ARG 84 1HG ARG 84 -8.084 1.871 -0.669 608 2HG ARG 84 2HG ARG 84 -7.706 3.174 -1.798 609 1HD ARG 84 1HD ARG 84 -6.504 1.419 -3.285 610 2HD ARG 84 2HD ARG 84 -8.264 1.308 -3.220 611 HE ARG 84 HE ARG 84 -6.308 -0.621 -1.923 612 1HH1 ARG 84 1HH1 ARG 84 -9.563 0.411 -1.543 613 2HH1 ARG 84 2HH1 ARG 84 -10.207 -1.307 -1.542 614 1HH2 ARG 84 1HH2 ARG 84 -7.193 -2.684 -2.456 615 2HH2 ARG 84 2HH2 ARG 84 -8.948 -2.943 -1.989 616 H GLN 85 H GLN 85 -3.209 3.060 -0.075 617 HA GLN 85 HA GLN 85 -3.141 2.596 2.850 618 1HB GLN 85 1HB GLN 85 -0.977 2.643 0.689 619 2HB GLN 85 2HB GLN 85 -0.556 2.520 2.387 620 1HG GLN 85 1HG GLN 85 -1.835 0.479 0.581 621 2HG GLN 85 2HG GLN 85 -2.477 0.507 2.209 622 1HE2 GLN 85 1HE2 GLN 85 1.618 -0.077 2.333 623 2HE2 GLN 85 2HE2 GLN 85 0.879 1.442 1.616 624 H MET 86 H MET 86 -2.262 5.233 0.684 625 HA MET 86 HA MET 86 -0.571 6.885 2.302 626 1HB MET 86 1HB MET 86 -2.343 8.680 0.881 627 2HB MET 86 2HB MET 86 -2.126 7.265 -0.132 628 1HG MET 86 1HG MET 86 0.460 8.265 1.021 629 2HG MET 86 2HG MET 86 0.068 7.759 -0.631 630 1HE MET 86 1HE MET 86 -2.617 9.520 -1.254 631 2HE MET 86 2HE MET 86 -1.891 10.957 -2.032 632 3HE MET 86 3HE MET 86 -1.293 9.324 -2.444 633 H LYS 87 H LYS 87 -4.070 6.464 2.349 634 HA LYS 87 HA LYS 87 -4.994 8.694 3.903 635 1HB LYS 87 1HB LYS 87 -6.667 6.829 4.939 636 2HB LYS 87 2HB LYS 87 -5.993 5.835 3.656 637 1HG LYS 87 1HG LYS 87 -6.907 7.118 1.916 638 2HG LYS 87 2HG LYS 87 -7.003 8.594 2.862 639 1HD LYS 87 1HD LYS 87 -8.771 6.848 4.229 640 2HD LYS 87 2HD LYS 87 -9.195 8.171 3.149 641 1HE LYS 87 1HE LYS 87 -8.566 5.463 1.869 642 2HE LYS 87 2HE LYS 87 -10.116 5.655 2.701 643 1HZ LYS 87 1HZ LYS 87 -9.151 7.006 0.285 644 2HZ LYS 87 2HZ LYS 87 -10.179 7.853 1.262 645 3HZ LYS 87 3HZ LYS 87 -10.650 6.401 0.629 646 H GLU 88 H GLU 88 -5.591 8.774 6.169 647 HA GLU 88 HA GLU 88 -5.289 8.442 8.546 648 1HB GLU 88 1HB GLU 88 -4.862 5.961 7.854 649 2HB GLU 88 2HB GLU 88 -3.154 6.323 8.003 650 1HG GLU 88 1HG GLU 88 -3.215 6.314 10.316 651 2HG GLU 88 2HG GLU 88 -4.728 7.199 10.397 652 H ASP 89 H ASP 89 -2.024 7.685 7.313 653 HA ASP 89 HA ASP 89 -0.760 10.230 7.220 654 1HB ASP 89 1HB ASP 89 -1.396 9.528 10.040 655 2HB ASP 89 2HB ASP 89 0.306 9.845 9.795 656 H ALA 90 H ALA 90 1.149 9.864 6.398 657 HA ALA 90 HA ALA 90 3.104 8.719 5.569 658 1HB ALA 90 1HB ALA 90 4.379 7.296 7.194 659 2HB ALA 90 2HB ALA 90 3.876 8.820 7.953 660 3HB ALA 90 3HB ALA 90 3.007 7.313 8.331 Start of MODEL 38 Raw file had 660 H/Q atoms Start of MODEL 38 1 1H ALA 1 1H ALA 1 -18.854 16.228 -21.667 2 2H ALA 1 2H ALA 1 -18.256 17.036 -20.318 3 3H ALA 1 3H ALA 1 -17.301 15.901 -21.111 4 HA ALA 1 HA ALA 1 -19.426 15.567 -19.182 5 1HB ALA 1 1HB ALA 1 -19.190 13.213 -21.051 6 2HB ALA 1 2HB ALA 1 -20.053 14.617 -21.708 7 3HB ALA 1 3HB ALA 1 -20.622 13.847 -20.204 8 H SER 2 H SER 2 -18.027 15.266 -17.573 9 HA SER 2 HA SER 2 -15.635 13.387 -17.879 10 1HB SER 2 1HB SER 2 -15.075 14.503 -15.520 11 2HB SER 2 2HB SER 2 -14.709 15.320 -17.041 12 HG SER 2 HG SER 2 -16.031 16.322 -15.174 13 H MET 3 H MET 3 -15.619 11.494 -16.891 14 HA MET 3 HA MET 3 -17.941 10.699 -15.065 15 1HB MET 3 1HB MET 3 -16.935 9.482 -17.418 16 2HB MET 3 2HB MET 3 -16.333 8.452 -16.131 17 1HG MET 3 1HG MET 3 -18.429 7.477 -16.663 18 2HG MET 3 2HG MET 3 -18.814 8.431 -15.225 19 1HE MET 3 1HE MET 3 -21.933 8.410 -17.060 20 2HE MET 3 2HE MET 3 -21.786 9.837 -15.993 21 3HE MET 3 3HE MET 3 -21.036 8.286 -15.514 22 H THR 4 H THR 4 -14.684 9.344 -15.575 23 HA THR 4 HA THR 4 -12.942 8.715 -14.088 24 HB THR 4 HB THR 4 -12.430 10.572 -12.318 25 HG1 THR 4 HG1 THR 4 -13.350 12.563 -13.211 26 1HG2 THR 4 1HG2 THR 4 -12.206 11.020 -15.347 27 2HG2 THR 4 2HG2 THR 4 -10.930 10.520 -14.215 28 3HG2 THR 4 3HG2 THR 4 -11.564 12.186 -14.171 29 H ASP 5 H ASP 5 -13.861 6.881 -13.224 30 HA ASP 5 HA ASP 5 -15.686 6.919 -10.837 31 1HB ASP 5 1HB ASP 5 -15.990 5.126 -12.504 32 2HB ASP 5 2HB ASP 5 -14.348 4.568 -12.283 33 H GLN 6 H GLN 6 -12.909 4.788 -11.048 34 HA GLN 6 HA GLN 6 -12.152 5.265 -8.187 35 1HB GLN 6 1HB GLN 6 -10.652 3.436 -8.389 36 2HB GLN 6 2HB GLN 6 -12.074 2.999 -9.318 37 1HG GLN 6 1HG GLN 6 -9.487 4.096 -10.578 38 2HG GLN 6 2HG GLN 6 -10.895 3.553 -11.463 39 1HE2 GLN 6 1HE2 GLN 6 -8.692 0.598 -11.597 40 2HE2 GLN 6 2HE2 GLN 6 -9.073 2.193 -12.420 41 H GLN 7 H GLN 7 -10.939 6.051 -11.411 42 HA GLN 7 HA GLN 7 -8.278 7.113 -10.711 43 1HB GLN 7 1HB GLN 7 -8.994 6.509 -13.084 44 2HB GLN 7 2HB GLN 7 -8.166 8.048 -12.899 45 1HG GLN 7 1HG GLN 7 -11.180 8.203 -12.827 46 2HG GLN 7 2HG GLN 7 -10.018 9.344 -13.486 47 1HE2 GLN 7 1HE2 GLN 7 -10.889 5.998 -15.851 48 2HE2 GLN 7 2HE2 GLN 7 -10.697 5.831 -14.034 49 H ALA 8 H ALA 8 -11.542 8.419 -10.655 50 HA ALA 8 HA ALA 8 -11.280 11.224 -10.597 51 1HB ALA 8 1HB ALA 8 -13.253 11.294 -9.080 52 2HB ALA 8 2HB ALA 8 -13.460 10.076 -10.353 53 3HB ALA 8 3HB ALA 8 -13.058 9.568 -8.693 54 H GLU 9 H GLU 9 -11.403 9.398 -7.530 55 HA GLU 9 HA GLU 9 -10.420 11.459 -5.785 56 1HB GLU 9 1HB GLU 9 -9.616 9.397 -4.283 57 2HB GLU 9 2HB GLU 9 -11.311 9.819 -4.478 58 1HG GLU 9 1HG GLU 9 -10.192 7.778 -6.446 59 2HG GLU 9 2HG GLU 9 -10.423 7.268 -4.778 60 H ALA 10 H ALA 10 -8.542 8.660 -7.006 61 HA ALA 10 HA ALA 10 -5.971 9.239 -5.928 62 1HB ALA 10 1HB ALA 10 -5.022 7.855 -7.767 63 2HB ALA 10 2HB ALA 10 -6.495 7.122 -7.105 64 3HB ALA 10 3HB ALA 10 -6.548 7.958 -8.677 65 NH1 ARG 11 NH1 ARG 11 -6.039 12.410 -15.920 66 NH2 ARG 11 NH2 ARG 11 -8.088 11.431 -15.954 67 H ARG 11 H ARG 11 -7.628 10.775 -8.599 68 HA ARG 11 HA ARG 11 -5.262 12.048 -9.922 69 1HB ARG 11 1HB ARG 11 -7.537 11.479 -11.051 70 2HB ARG 11 2HB ARG 11 -8.200 12.872 -10.210 71 1HG ARG 11 1HG ARG 11 -7.615 14.082 -12.030 72 2HG ARG 11 2HG ARG 11 -5.977 14.064 -11.373 73 1HD ARG 11 1HD ARG 11 -5.446 13.205 -13.454 74 2HD ARG 11 2HD ARG 11 -5.864 11.664 -12.702 75 HE ARG 11 HE ARG 11 -8.344 12.611 -13.757 76 1HH1 ARG 11 1HH1 ARG 11 -5.344 12.947 -15.390 77 2HH1 ARG 11 2HH1 ARG 11 -5.963 12.099 -16.895 78 1HH2 ARG 11 1HH2 ARG 11 -8.953 11.213 -15.447 79 2HH2 ARG 11 2HH2 ARG 11 -7.872 11.199 -16.930 80 H ALA 12 H ALA 12 -8.076 13.369 -8.148 81 HA ALA 12 HA ALA 12 -7.291 16.088 -7.863 82 1HB ALA 12 1HB ALA 12 -8.786 16.225 -5.881 83 2HB ALA 12 2HB ALA 12 -9.530 15.279 -7.185 84 3HB ALA 12 3HB ALA 12 -8.847 14.450 -5.764 85 H PHE 13 H PHE 13 -6.334 13.292 -5.901 86 HA PHE 13 HA PHE 13 -4.928 14.770 -3.763 87 1HB PHE 13 1HB PHE 13 -4.621 11.822 -4.572 88 2HB PHE 13 2HB PHE 13 -5.903 12.431 -3.556 89 HD1 PHE 13 HD1 PHE 13 -2.096 12.728 -3.726 90 HD2 PHE 13 HD2 PHE 13 -5.545 12.099 -1.228 91 HE1 PHE 13 HE1 PHE 13 -0.635 12.394 -1.773 92 HE2 PHE 13 HE2 PHE 13 -4.068 11.774 0.712 93 HZ PHE 13 HZ PHE 13 -1.615 11.909 0.444 94 H LEU 14 H LEU 14 -3.835 12.840 -6.573 95 HA LEU 14 HA LEU 14 -0.956 13.749 -6.253 96 1HB LEU 14 1HB LEU 14 -0.330 12.040 -7.782 97 2HB LEU 14 2HB LEU 14 -1.918 11.939 -8.510 98 HG LEU 14 HG LEU 14 -2.639 11.073 -6.037 99 1HD1 LEU 14 1HD1 LEU 14 -2.382 8.735 -6.876 100 2HD1 LEU 14 2HD1 LEU 14 -2.959 9.805 -8.167 101 3HD1 LEU 14 3HD1 LEU 14 -1.255 9.284 -8.142 102 1HD2 LEU 14 1HD2 LEU 14 0.338 10.246 -6.195 103 2HD2 LEU 14 2HD2 LEU 14 -0.391 11.311 -4.968 104 3HD2 LEU 14 3HD2 LEU 14 -0.858 9.605 -5.040 105 H SER 15 H SER 15 -0.672 15.737 -6.952 106 HA SER 15 HA SER 15 -2.064 17.137 -9.126 107 1HB SER 15 1HB SER 15 -0.620 18.943 -8.736 108 2HB SER 15 2HB SER 15 0.750 17.924 -8.287 109 HG SER 15 HG SER 15 -1.632 17.897 -6.777 110 H GLU 16 H GLU 16 -0.129 18.202 -10.721 111 HA GLU 16 HA GLU 16 0.339 16.013 -12.719 112 1HB GLU 16 1HB GLU 16 -0.435 18.550 -13.091 113 2HB GLU 16 2HB GLU 16 1.288 18.861 -13.174 114 1HG GLU 16 1HG GLU 16 -0.056 16.713 -14.929 115 2HG GLU 16 2HG GLU 16 -0.016 18.403 -15.400 116 H GLU 17 H GLU 17 2.171 18.077 -10.540 117 HA GLU 17 HA GLU 17 4.875 17.311 -11.605 118 1HB GLU 17 1HB GLU 17 5.850 18.805 -10.056 119 2HB GLU 17 2HB GLU 17 4.406 19.598 -10.656 120 1HG GLU 17 1HG GLU 17 3.229 19.314 -8.555 121 2HG GLU 17 2HG GLU 17 4.324 18.060 -7.998 122 H MET 18 H MET 18 2.723 16.489 -8.933 123 HA MET 18 HA MET 18 4.505 14.604 -7.481 124 1HB MET 18 1HB MET 18 1.429 14.669 -7.514 125 2HB MET 18 2HB MET 18 2.426 13.718 -6.429 126 1HG MET 18 1HG MET 18 2.848 16.745 -6.464 127 2HG MET 18 2HG MET 18 1.424 16.076 -5.648 128 1HE MET 18 1HE MET 18 1.518 15.794 -3.171 129 2HE MET 18 2HE MET 18 3.045 16.006 -2.264 130 3HE MET 18 3HE MET 18 2.498 17.277 -3.398 131 H ILE 19 H ILE 19 2.252 14.446 -10.191 132 HA ILE 19 HA ILE 19 2.123 11.534 -10.523 133 HB ILE 19 HB ILE 19 1.455 13.871 -12.327 134 1HG1 ILE 19 1HG1 ILE 19 -0.094 12.708 -10.466 135 2HG1 ILE 19 2HG1 ILE 19 -0.340 11.474 -11.683 136 1HG2 ILE 19 1HG2 ILE 19 0.804 12.352 -14.212 137 2HG2 ILE 19 2HG2 ILE 19 2.539 12.247 -13.918 138 3HG2 ILE 19 3HG2 ILE 19 1.469 10.948 -13.341 139 1HD1 ILE 19 1HD1 ILE 19 -1.328 13.082 -13.290 140 2HD1 ILE 19 2HD1 ILE 19 -2.163 13.169 -11.725 141 3HD1 ILE 19 3HD1 ILE 19 -0.998 14.436 -12.175 142 H ALA 20 H ALA 20 4.331 14.067 -11.614 143 HA ALA 20 HA ALA 20 5.979 12.609 -13.496 144 1HB ALA 20 1HB ALA 20 7.714 14.343 -13.058 145 2HB ALA 20 2HB ALA 20 6.105 15.067 -13.247 146 3HB ALA 20 3HB ALA 20 6.826 14.912 -11.625 147 H GLU 21 H GLU 21 6.023 12.760 -9.965 148 HA GLU 21 HA GLU 21 8.655 11.613 -9.421 149 1HB GLU 21 1HB GLU 21 7.177 12.839 -7.761 150 2HB GLU 21 2HB GLU 21 6.171 11.409 -7.633 151 1HG GLU 21 1HG GLU 21 8.981 11.891 -6.575 152 2HG GLU 21 2HG GLU 21 8.592 10.245 -7.046 153 H PHE 22 H PHE 22 5.479 10.237 -10.087 154 HA PHE 22 HA PHE 22 6.294 7.390 -9.524 155 1HB PHE 22 1HB PHE 22 3.647 8.584 -10.549 156 2HB PHE 22 2HB PHE 22 3.923 6.873 -10.365 157 HD1 PHE 22 HD1 PHE 22 3.307 10.010 -8.507 158 HD2 PHE 22 HD2 PHE 22 4.232 5.827 -8.093 159 HE1 PHE 22 HE1 PHE 22 2.782 10.121 -6.107 160 HE2 PHE 22 HE2 PHE 22 3.702 5.958 -5.693 161 HZ PHE 22 HZ PHE 22 2.960 8.096 -4.700 162 H LYS 23 H LYS 23 5.993 9.591 -12.223 163 HA LYS 23 HA LYS 23 5.720 7.884 -14.523 164 1HB LYS 23 1HB LYS 23 6.951 10.597 -14.061 165 2HB LYS 23 2HB LYS 23 7.546 9.749 -15.471 166 1HG LYS 23 1HG LYS 23 4.979 11.139 -15.069 167 2HG LYS 23 2HG LYS 23 4.696 9.487 -15.591 168 1HD LYS 23 1HD LYS 23 6.358 11.613 -17.068 169 2HD LYS 23 2HD LYS 23 6.398 9.906 -17.523 170 1HE LYS 23 1HE LYS 23 4.748 11.152 -18.935 171 2HE LYS 23 2HE LYS 23 3.925 9.917 -17.971 172 1HZ LYS 23 1HZ LYS 23 4.143 12.618 -16.825 173 2HZ LYS 23 2HZ LYS 23 2.934 11.503 -16.666 174 3HZ LYS 23 3HZ LYS 23 3.068 12.384 -18.057 175 H ALA 24 H ALA 24 8.743 8.960 -12.936 176 HA ALA 24 HA ALA 24 10.715 7.722 -14.573 177 1HB ALA 24 1HB ALA 24 12.224 7.766 -12.597 178 2HB ALA 24 2HB ALA 24 11.289 9.268 -12.724 179 3HB ALA 24 3HB ALA 24 10.843 8.044 -11.508 180 H ALA 25 H ALA 25 9.602 6.326 -11.468 181 HA ALA 25 HA ALA 25 10.811 3.698 -11.796 182 1HB ALA 25 1HB ALA 25 9.408 3.014 -9.859 183 2HB ALA 25 2HB ALA 25 10.155 4.599 -9.581 184 3HB ALA 25 3HB ALA 25 8.427 4.493 -10.004 185 H PHE 26 H PHE 26 7.816 5.050 -12.967 186 HA PHE 26 HA PHE 26 6.217 2.592 -13.282 187 1HB PHE 26 1HB PHE 26 4.974 4.629 -13.293 188 2HB PHE 26 2HB PHE 26 5.969 5.382 -14.510 189 HD1 PHE 26 HD1 PHE 26 3.066 3.229 -13.878 190 HD2 PHE 26 HD2 PHE 26 5.773 4.511 -16.966 191 HE1 PHE 26 HE1 PHE 26 1.446 2.541 -15.599 192 HE2 PHE 26 HE2 PHE 26 4.140 3.817 -18.672 193 HZ PHE 26 HZ PHE 26 1.991 2.805 -17.995 194 H ASP 27 H ASP 27 8.524 4.349 -15.307 195 HA ASP 27 HA ASP 27 8.289 2.711 -17.758 196 1HB ASP 27 1HB ASP 27 10.906 4.090 -17.044 197 2HB ASP 27 2HB ASP 27 9.495 5.071 -17.365 198 H MET 28 H MET 28 10.081 2.482 -14.741 199 HA MET 28 HA MET 28 12.042 0.414 -15.472 200 1HB MET 28 1HB MET 28 11.949 1.904 -13.284 201 2HB MET 28 2HB MET 28 10.919 0.637 -12.644 202 1HG MET 28 1HG MET 28 12.845 -1.048 -13.278 203 2HG MET 28 2HG MET 28 13.858 0.390 -13.488 204 1HE MET 28 1HE MET 28 12.220 2.331 -11.278 205 2HE MET 28 2HE MET 28 13.309 2.141 -9.872 206 3HE MET 28 3HE MET 28 13.997 2.381 -11.505 207 H PHE 29 H PHE 29 8.703 0.360 -14.322 208 HA PHE 29 HA PHE 29 8.509 -2.589 -13.914 209 1HB PHE 29 1HB PHE 29 5.911 -1.984 -14.012 210 2HB PHE 29 2HB PHE 29 6.452 -0.327 -13.954 211 HD1 PHE 29 HD1 PHE 29 7.675 0.548 -11.905 212 HD2 PHE 29 HD2 PHE 29 6.092 -3.454 -12.011 213 HE1 PHE 29 HE1 PHE 29 7.824 0.411 -9.452 214 HE2 PHE 29 HE2 PHE 29 6.255 -3.571 -9.558 215 HZ PHE 29 HZ PHE 29 7.108 -1.641 -8.276 216 H ASP 30 H ASP 30 7.823 -0.250 -16.470 217 HA ASP 30 HA ASP 30 6.391 -1.902 -18.380 218 1HB ASP 30 1HB ASP 30 8.284 0.449 -18.950 219 2HB ASP 30 2HB ASP 30 6.562 0.544 -18.663 220 H ALA 31 H ALA 31 9.681 -0.878 -19.155 221 HA ALA 31 HA ALA 31 11.703 -2.137 -19.608 222 1HB ALA 31 1HB ALA 31 11.755 -4.613 -19.383 223 2HB ALA 31 2HB ALA 31 11.039 -3.846 -17.952 224 3HB ALA 31 3HB ALA 31 9.993 -4.667 -19.140 225 H ASP 32 H ASP 32 8.616 -2.734 -21.148 226 HA ASP 32 HA ASP 32 9.790 -3.935 -23.660 227 1HB ASP 32 1HB ASP 32 7.740 -4.734 -24.177 228 2HB ASP 32 2HB ASP 32 7.389 -4.435 -22.491 229 H GLY 33 H GLY 33 7.692 -1.128 -22.889 230 1HA GLY 33 1HA GLY 33 8.612 1.233 -23.454 231 2HA GLY 33 2HA GLY 33 9.253 0.532 -24.922 232 H GLY 34 H GLY 34 6.069 0.334 -23.290 233 1HA GLY 34 1HA GLY 34 3.937 0.257 -24.807 234 2HA GLY 34 2HA GLY 34 4.718 1.508 -25.782 235 H GLY 35 H GLY 35 3.555 0.833 -22.495 236 1HA GLY 35 1HA GLY 35 3.460 3.317 -21.134 237 2HA GLY 35 2HA GLY 35 2.202 3.517 -22.361 238 H ASP 36 H ASP 36 3.131 0.543 -20.666 239 HA ASP 36 HA ASP 36 1.030 0.611 -18.609 240 1HB ASP 36 1HB ASP 36 -0.309 -1.425 -19.513 241 2HB ASP 36 2HB ASP 36 -0.697 0.176 -20.096 242 H ILE 37 H ILE 37 0.690 -1.947 -17.983 243 HA ILE 37 HA ILE 37 3.337 -3.437 -18.125 244 HB ILE 37 HB ILE 37 2.534 -3.867 -15.469 245 1HG1 ILE 37 1HG1 ILE 37 1.636 -1.189 -16.081 246 2HG1 ILE 37 2HG1 ILE 37 1.648 -2.021 -14.537 247 1HG2 ILE 37 1HG2 ILE 37 4.781 -3.031 -14.901 248 2HG2 ILE 37 2HG2 ILE 37 4.852 -3.961 -16.405 249 3HG2 ILE 37 3HG2 ILE 37 4.911 -2.183 -16.460 250 1HD1 ILE 37 1HD1 ILE 37 3.958 -0.284 -15.596 251 2HD1 ILE 37 2HD1 ILE 37 2.829 0.097 -14.277 252 3HD1 ILE 37 3HD1 ILE 37 4.006 -1.222 -14.079 253 H SER 38 H SER 38 2.900 -5.327 -18.908 254 HA SER 38 HA SER 38 0.244 -6.708 -18.531 255 1HB SER 38 1HB SER 38 0.866 -8.170 -20.239 256 2HB SER 38 2HB SER 38 1.688 -6.681 -20.712 257 HG SER 38 HG SER 38 2.869 -8.777 -20.654 258 H THR 39 H THR 39 0.917 -9.310 -18.340 259 HA THR 39 HA THR 39 1.717 -9.621 -15.456 260 HB THR 39 HB THR 39 1.240 -12.201 -16.225 261 HG1 THR 39 HG1 THR 39 -0.550 -12.113 -17.600 262 1HG2 THR 39 1HG2 THR 39 -1.033 -12.000 -15.317 263 2HG2 THR 39 2HG2 THR 39 0.061 -10.994 -14.339 264 3HG2 THR 39 3HG2 THR 39 -1.029 -10.234 -15.529 265 H LYS 40 H LYS 40 2.953 -10.302 -18.674 266 HA LYS 40 HA LYS 40 5.204 -12.054 -17.808 267 1HB LYS 40 1HB LYS 40 3.931 -11.827 -20.153 268 2HB LYS 40 2HB LYS 40 5.176 -10.665 -20.530 269 1HG LYS 40 1HG LYS 40 5.896 -13.440 -19.426 270 2HG LYS 40 2HG LYS 40 6.893 -12.385 -20.393 271 1HD LYS 40 1HD LYS 40 5.265 -12.877 -22.401 272 2HD LYS 40 2HD LYS 40 6.402 -14.079 -21.865 273 1HE LYS 40 1HE LYS 40 4.417 -15.297 -22.273 274 2HE LYS 40 2HE LYS 40 4.586 -15.265 -20.523 275 1HZ LYS 40 1HZ LYS 40 2.937 -13.403 -20.526 276 2HZ LYS 40 2HZ LYS 40 2.324 -14.804 -21.150 277 3HZ LYS 40 3HZ LYS 40 2.755 -13.569 -22.159 278 H GLU 41 H GLU 41 4.624 -8.640 -18.476 279 HA GLU 41 HA GLU 41 7.460 -7.761 -18.595 280 1HB GLU 41 1HB GLU 41 6.603 -5.456 -18.562 281 2HB GLU 41 2HB GLU 41 4.997 -6.014 -18.145 282 1HG GLU 41 1HG GLU 41 6.447 -6.545 -20.813 283 2HG GLU 41 2HG GLU 41 4.908 -7.261 -20.385 284 H LEU 42 H LEU 42 4.851 -7.209 -16.203 285 HA LEU 42 HA LEU 42 6.312 -5.851 -14.156 286 1HB LEU 42 1HB LEU 42 4.228 -7.918 -13.333 287 2HB LEU 42 2HB LEU 42 3.725 -6.578 -14.341 288 HG LEU 42 HG LEU 42 5.088 -5.197 -12.343 289 1HD1 LEU 42 1HD1 LEU 42 2.814 -4.618 -11.455 290 2HD1 LEU 42 2HD1 LEU 42 2.836 -4.605 -13.225 291 3HD1 LEU 42 3HD1 LEU 42 2.099 -5.976 -12.359 292 1HD2 LEU 42 1HD2 LEU 42 3.725 -7.586 -10.924 293 2HD2 LEU 42 2HD2 LEU 42 5.473 -7.246 -10.952 294 3HD2 LEU 42 3HD2 LEU 42 4.371 -6.126 -10.131 295 H GLY 43 H GLY 43 6.069 -9.314 -14.832 296 1HA GLY 43 1HA GLY 43 7.363 -11.222 -14.063 297 2HA GLY 43 2HA GLY 43 7.116 -10.521 -12.458 298 H THR 44 H THR 44 8.942 -9.339 -15.282 299 HA THR 44 HA THR 44 11.590 -10.111 -14.548 300 HB THR 44 HB THR 44 10.691 -7.684 -16.168 301 HG1 THR 44 HG1 THR 44 10.423 -9.926 -16.844 302 1HG2 THR 44 1HG2 THR 44 13.021 -7.510 -17.059 303 2HG2 THR 44 2HG2 THR 44 12.963 -7.105 -15.331 304 3HG2 THR 44 3HG2 THR 44 13.586 -8.692 -15.852 305 H VAL 45 H VAL 45 9.887 -7.079 -13.766 306 HA VAL 45 HA VAL 45 12.043 -5.717 -12.359 307 HB VAL 45 HB VAL 45 9.192 -5.216 -12.799 308 1HG1 VAL 45 1HG1 VAL 45 11.426 -3.210 -12.101 309 2HG1 VAL 45 2HG1 VAL 45 11.189 -3.874 -13.723 310 3HG1 VAL 45 3HG1 VAL 45 9.908 -2.889 -12.980 311 1HG2 VAL 45 1HG2 VAL 45 8.622 -3.851 -10.857 312 2HG2 VAL 45 2HG2 VAL 45 9.092 -5.447 -10.226 313 3HG2 VAL 45 3HG2 VAL 45 10.227 -4.094 -10.119 314 H MET 46 H MET 46 9.467 -7.916 -11.271 315 HA MET 46 HA MET 46 9.708 -7.750 -8.417 316 1HB MET 46 1HB MET 46 8.901 -10.175 -8.342 317 2HB MET 46 2HB MET 46 9.050 -10.239 -10.089 318 1HG MET 46 1HG MET 46 6.769 -9.741 -9.878 319 2HG MET 46 2HG MET 46 7.422 -8.104 -10.060 320 1HE MET 46 1HE MET 46 7.896 -10.484 -6.862 321 2HE MET 46 2HE MET 46 6.501 -9.986 -5.861 322 3HE MET 46 3HE MET 46 6.229 -10.877 -7.386 323 NH1 ARG 47 NH1 ARG 47 18.168 -9.541 -13.607 324 NH2 ARG 47 NH2 ARG 47 16.462 -9.565 -15.109 325 H ARG 47 H ARG 47 11.647 -9.515 -10.782 326 HA ARG 47 HA ARG 47 13.224 -11.204 -8.993 327 1HB ARG 47 1HB ARG 47 13.870 -10.139 -11.801 328 2HB ARG 47 2HB ARG 47 13.128 -11.676 -11.379 329 1HG ARG 47 1HG ARG 47 15.196 -12.602 -11.451 330 2HG ARG 47 2HG ARG 47 15.516 -11.804 -9.910 331 1HD ARG 47 1HD ARG 47 16.587 -9.870 -11.010 332 2HD ARG 47 2HD ARG 47 17.306 -11.349 -11.630 333 HE ARG 47 HE ARG 47 15.097 -10.551 -13.401 334 1HH1 ARG 47 1HH1 ARG 47 18.486 -9.759 -12.657 335 2HH1 ARG 47 2HH1 ARG 47 18.723 -9.121 -14.361 336 1HH2 ARG 47 1HH2 ARG 47 15.483 -9.799 -15.307 337 2HH2 ARG 47 2HH2 ARG 47 17.136 -9.143 -15.757 338 H MET 48 H MET 48 13.796 -7.971 -10.365 339 HA MET 48 HA MET 48 16.499 -7.461 -9.553 340 1HB MET 48 1HB MET 48 15.377 -4.934 -9.179 341 2HB MET 48 2HB MET 48 14.185 -5.689 -10.221 342 1HG MET 48 1HG MET 48 15.582 -5.712 -12.079 343 2HG MET 48 2HG MET 48 17.036 -6.068 -11.133 344 1HE MET 48 1HE MET 48 14.345 -3.197 -12.010 345 2HE MET 48 2HE MET 48 15.538 -1.955 -12.491 346 3HE MET 48 3HE MET 48 15.493 -3.525 -13.345 347 H LEU 49 H LEU 49 13.496 -7.298 -7.708 348 HA LEU 49 HA LEU 49 14.447 -5.998 -5.276 349 1HB LEU 49 1HB LEU 49 12.499 -7.237 -4.132 350 2HB LEU 49 2HB LEU 49 12.170 -8.028 -5.658 351 HG LEU 49 HG LEU 49 10.971 -6.268 -6.436 352 1HD1 LEU 49 1HD1 LEU 49 13.119 -4.264 -5.501 353 2HD1 LEU 49 2HD1 LEU 49 13.157 -5.113 -7.058 354 3HD1 LEU 49 3HD1 LEU 49 11.834 -3.974 -6.700 355 1HD2 LEU 49 1HD2 LEU 49 10.033 -4.667 -4.822 356 2HD2 LEU 49 2HD2 LEU 49 10.276 -6.204 -3.957 357 3HD2 LEU 49 3HD2 LEU 49 11.418 -4.873 -3.719 358 H GLY 50 H GLY 50 13.545 -9.441 -5.422 359 1HA GLY 50 1HA GLY 50 14.924 -10.536 -3.235 360 2HA GLY 50 2HA GLY 50 16.236 -10.383 -4.412 361 H GLN 51 H GLN 51 12.962 -11.707 -4.037 362 HA GLN 51 HA GLN 51 13.684 -14.311 -5.384 363 1HB GLN 51 1HB GLN 51 10.829 -14.080 -4.859 364 2HB GLN 51 2HB GLN 51 11.695 -13.446 -3.472 365 1HG GLN 51 1HG GLN 51 12.986 -15.945 -4.279 366 2HG GLN 51 2HG GLN 51 11.259 -16.217 -4.217 367 1HE2 GLN 51 1HE2 GLN 51 11.351 -15.076 -0.553 368 2HE2 GLN 51 2HE2 GLN 51 10.702 -14.287 -2.077 369 H ASN 52 H ASN 52 12.079 -15.120 -7.046 370 HA ASN 52 HA ASN 52 11.107 -12.961 -8.938 371 1HB ASN 52 1HB ASN 52 12.911 -15.272 -9.871 372 2HB ASN 52 2HB ASN 52 13.486 -13.646 -9.573 373 1HD2 ASN 52 1HD2 ASN 52 12.795 -13.950 -13.257 374 2HD2 ASN 52 2HD2 ASN 52 14.033 -14.399 -11.979 375 HA PRO 53 HA PRO 53 7.696 -16.314 -8.396 376 1HB PRO 53 1HB PRO 53 5.687 -15.043 -8.457 377 2HB PRO 53 2HB PRO 53 6.273 -14.035 -9.788 378 1HG PRO 53 1HG PRO 53 6.599 -12.483 -8.082 379 2HG PRO 53 2HG PRO 53 6.868 -13.700 -6.813 380 1HD PRO 53 1HD PRO 53 9.172 -13.215 -7.198 381 2HD PRO 53 2HD PRO 53 8.852 -12.504 -8.807 382 H THR 54 H THR 54 6.366 -17.315 -10.102 383 HA THR 54 HA THR 54 7.813 -17.457 -12.758 384 HB THR 54 HB THR 54 7.200 -19.539 -11.333 385 HG1 THR 54 HG1 THR 54 6.957 -20.708 -13.226 386 1HG2 THR 54 1HG2 THR 54 5.056 -20.657 -11.850 387 2HG2 THR 54 2HG2 THR 54 4.744 -19.122 -11.007 388 3HG2 THR 54 3HG2 THR 54 4.487 -19.241 -12.767 389 H LYS 55 H LYS 55 6.352 -17.829 -14.692 390 HA LYS 55 HA LYS 55 4.728 -15.429 -15.182 391 1HB LYS 55 1HB LYS 55 5.073 -15.961 -17.353 392 2HB LYS 55 2HB LYS 55 6.007 -17.339 -16.809 393 1HG LYS 55 1HG LYS 55 2.987 -17.555 -17.225 394 2HG LYS 55 2HG LYS 55 4.095 -17.684 -18.580 395 1HD LYS 55 1HD LYS 55 4.049 -19.959 -18.079 396 2HD LYS 55 2HD LYS 55 3.419 -19.664 -16.466 397 1HE LYS 55 1HE LYS 55 6.234 -18.819 -16.580 398 2HE LYS 55 2HE LYS 55 5.463 -19.958 -15.479 399 1HZ LYS 55 1HZ LYS 55 6.070 -20.805 -18.253 400 2HZ LYS 55 2HZ LYS 55 5.959 -21.729 -16.888 401 3HZ LYS 55 3HZ LYS 55 7.279 -20.765 -17.127 402 H GLU 56 H GLU 56 4.042 -18.793 -14.386 403 HA GLU 56 HA GLU 56 1.164 -18.868 -14.818 404 1HB GLU 56 1HB GLU 56 3.002 -20.507 -13.020 405 2HB GLU 56 2HB GLU 56 2.316 -20.949 -14.571 406 1HG GLU 56 1HG GLU 56 0.269 -20.370 -12.429 407 2HG GLU 56 2HG GLU 56 1.333 -21.719 -12.072 408 H GLU 57 H GLU 57 2.979 -18.488 -11.752 409 HA GLU 57 HA GLU 57 0.787 -17.756 -10.018 410 1HB GLU 57 1HB GLU 57 2.635 -16.508 -8.639 411 2HB GLU 57 2HB GLU 57 3.758 -17.158 -9.813 412 1HG GLU 57 1HG GLU 57 2.162 -18.622 -7.670 413 2HG GLU 57 2HG GLU 57 2.512 -19.521 -9.140 414 H LEU 58 H LEU 58 2.725 -15.844 -12.248 415 HA LEU 58 HA LEU 58 2.155 -13.165 -11.368 416 1HB LEU 58 1HB LEU 58 3.133 -14.442 -13.896 417 2HB LEU 58 2HB LEU 58 2.370 -12.883 -14.130 418 HG LEU 58 HG LEU 58 4.526 -13.214 -11.974 419 1HD1 LEU 58 1HD1 LEU 58 6.283 -12.529 -13.654 420 2HD1 LEU 58 2HD1 LEU 58 5.613 -14.121 -14.038 421 3HD1 LEU 58 3HD1 LEU 58 5.098 -12.697 -14.974 422 1HD2 LEU 58 1HD2 LEU 58 3.673 -10.797 -13.699 423 2HD2 LEU 58 2HD2 LEU 58 3.218 -11.085 -12.001 424 3HD2 LEU 58 3HD2 LEU 58 4.915 -10.788 -12.421 425 H ASP 59 H ASP 59 0.362 -15.363 -13.489 426 HA ASP 59 HA ASP 59 -1.701 -13.512 -14.427 427 1HB ASP 59 1HB ASP 59 -1.224 -15.653 -15.601 428 2HB ASP 59 2HB ASP 59 -1.828 -16.573 -14.242 429 H ALA 60 H ALA 60 -1.365 -15.537 -11.570 430 HA ALA 60 HA ALA 60 -4.088 -15.350 -10.507 431 1HB ALA 60 1HB ALA 60 -3.090 -16.104 -8.354 432 2HB ALA 60 2HB ALA 60 -2.490 -17.066 -9.719 433 3HB ALA 60 3HB ALA 60 -1.448 -15.823 -8.980 434 H ILE 61 H ILE 61 -1.125 -13.462 -9.890 435 HA ILE 61 HA ILE 61 -2.129 -11.713 -7.777 436 HB ILE 61 HB ILE 61 0.280 -11.745 -9.525 437 1HG1 ILE 61 1HG1 ILE 61 1.219 -12.250 -7.520 438 2HG1 ILE 61 2HG1 ILE 61 -0.336 -12.072 -6.734 439 1HG2 ILE 61 1HG2 ILE 61 0.982 -9.382 -9.050 440 2HG2 ILE 61 2HG2 ILE 61 -0.468 -9.408 -10.051 441 3HG2 ILE 61 3HG2 ILE 61 -0.604 -9.039 -8.317 442 1HD1 ILE 61 1HD1 ILE 61 0.061 -9.677 -6.225 443 2HD1 ILE 61 2HD1 ILE 61 1.403 -10.677 -5.630 444 3HD1 ILE 61 3HD1 ILE 61 1.607 -9.721 -7.116 445 H ILE 62 H ILE 62 -1.724 -11.116 -11.286 446 HA ILE 62 HA ILE 62 -3.007 -8.502 -11.390 447 HB ILE 62 HB ILE 62 -2.129 -10.505 -13.413 448 1HG1 ILE 62 1HG1 ILE 62 -1.948 -7.434 -13.168 449 2HG1 ILE 62 2HG1 ILE 62 -0.678 -8.597 -12.851 450 1HG2 ILE 62 1HG2 ILE 62 -3.364 -9.483 -15.345 451 2HG2 ILE 62 2HG2 ILE 62 -4.497 -10.231 -14.222 452 3HG2 ILE 62 3HG2 ILE 62 -4.306 -8.463 -14.230 453 1HD1 ILE 62 1HD1 ILE 62 -1.811 -7.996 -15.647 454 2HD1 ILE 62 2HD1 ILE 62 -0.221 -7.545 -14.996 455 3HD1 ILE 62 3HD1 ILE 62 -0.600 -9.259 -15.288 456 H GLU 63 H GLU 63 -4.222 -11.811 -11.549 457 HA GLU 63 HA GLU 63 -6.921 -11.566 -12.351 458 1HB GLU 63 1HB GLU 63 -6.391 -13.263 -9.897 459 2HB GLU 63 2HB GLU 63 -5.514 -13.638 -11.368 460 1HG GLU 63 1HG GLU 63 -7.875 -13.707 -12.552 461 2HG GLU 63 2HG GLU 63 -7.400 -15.047 -11.524 462 H GLU 64 H GLU 64 -6.023 -11.557 -8.886 463 HA GLU 64 HA GLU 64 -8.478 -10.629 -7.786 464 1HB GLU 64 1HB GLU 64 -7.101 -11.385 -6.128 465 2HB GLU 64 2HB GLU 64 -5.647 -10.681 -6.808 466 1HG GLU 64 1HG GLU 64 -5.816 -8.774 -5.518 467 2HG GLU 64 2HG GLU 64 -7.537 -8.591 -5.813 468 H VAL 65 H VAL 65 -5.673 -8.703 -8.853 469 HA VAL 65 HA VAL 65 -7.124 -6.091 -8.406 470 HB VAL 65 HB VAL 65 -4.815 -5.205 -9.452 471 1HG1 VAL 65 1HG1 VAL 65 -3.934 -4.969 -7.123 472 2HG1 VAL 65 2HG1 VAL 65 -5.678 -4.646 -7.173 473 3HG1 VAL 65 3HG1 VAL 65 -5.083 -6.197 -6.534 474 1HG2 VAL 65 1HG2 VAL 65 -3.930 -7.931 -8.279 475 2HG2 VAL 65 2HG2 VAL 65 -3.778 -7.417 -9.976 476 3HG2 VAL 65 3HG2 VAL 65 -2.850 -6.586 -8.720 477 H ASP 66 H ASP 66 -8.764 -6.717 -9.991 478 HA ASP 66 HA ASP 66 -8.341 -5.403 -12.616 479 1HB ASP 66 1HB ASP 66 -9.120 -7.749 -13.803 480 2HB ASP 66 2HB ASP 66 -8.131 -8.408 -12.521 481 H GLU 67 H GLU 67 -10.023 -5.134 -10.392 482 HA GLU 67 HA GLU 67 -12.788 -6.112 -11.113 483 1HB GLU 67 1HB GLU 67 -13.123 -4.284 -9.031 484 2HB GLU 67 2HB GLU 67 -11.502 -4.873 -8.719 485 1HG GLU 67 1HG GLU 67 -13.206 -6.188 -7.467 486 2HG GLU 67 2HG GLU 67 -12.312 -7.218 -8.573 487 H ASP 68 H ASP 68 -11.610 -4.625 -13.141 488 HA ASP 68 HA ASP 68 -13.309 -2.099 -13.248 489 1HB ASP 68 1HB ASP 68 -11.628 -0.615 -13.802 490 2HB ASP 68 2HB ASP 68 -10.805 -1.619 -12.630 491 H GLY 69 H GLY 69 -11.022 -4.100 -15.156 492 1HA GLY 69 1HA GLY 69 -12.177 -5.454 -17.132 493 2HA GLY 69 2HA GLY 69 -12.898 -3.898 -17.575 494 H SER 70 H SER 70 -9.669 -5.178 -16.750 495 HA SER 70 HA SER 70 -8.305 -4.402 -19.257 496 1HB SER 70 1HB SER 70 -8.865 -2.112 -18.435 497 2HB SER 70 2HB SER 70 -7.129 -2.385 -18.596 498 HG SER 70 HG SER 70 -6.888 -2.280 -16.515 499 H GLY 71 H GLY 71 -7.699 -6.601 -18.688 500 1HA GLY 71 1HA GLY 71 -6.452 -7.741 -16.423 501 2HA GLY 71 2HA GLY 71 -5.964 -8.162 -18.066 502 H THR 72 H THR 72 -5.095 -5.406 -18.669 503 HA THR 72 HA THR 72 -2.255 -5.662 -17.805 504 HB THR 72 HB THR 72 -1.767 -3.665 -19.138 505 HG1 THR 72 HG1 THR 72 -4.065 -2.888 -18.602 506 1HG2 THR 72 1HG2 THR 72 -2.408 -4.399 -21.398 507 2HG2 THR 72 2HG2 THR 72 -1.942 -5.823 -20.442 508 3HG2 THR 72 3HG2 THR 72 -3.663 -5.486 -20.764 509 H ILE 73 H ILE 73 -1.366 -3.158 -17.334 510 HA ILE 73 HA ILE 73 -2.923 -1.927 -15.027 511 HB ILE 73 HB ILE 73 -0.043 -2.905 -14.666 512 1HG1 ILE 73 1HG1 ILE 73 -1.433 -4.205 -12.678 513 2HG1 ILE 73 2HG1 ILE 73 -2.705 -4.141 -13.879 514 1HG2 ILE 73 1HG2 ILE 73 -0.219 -2.094 -12.317 515 2HG2 ILE 73 2HG2 ILE 73 -0.532 -0.754 -13.429 516 3HG2 ILE 73 3HG2 ILE 73 -1.888 -1.538 -12.583 517 1HD1 ILE 73 1HD1 ILE 73 0.030 -5.468 -14.335 518 2HD1 ILE 73 2HD1 ILE 73 -1.540 -6.267 -14.107 519 3HD1 ILE 73 3HD1 ILE 73 -1.243 -5.305 -15.575 520 H ASP 74 H ASP 74 -3.172 -0.434 -16.829 521 HA ASP 74 HA ASP 74 -0.935 1.058 -18.037 522 1HB ASP 74 1HB ASP 74 -3.935 1.523 -17.900 523 2HB ASP 74 2HB ASP 74 -2.936 1.057 -19.270 524 H PHE 75 H PHE 75 -1.234 3.628 -17.732 525 HA PHE 75 HA PHE 75 0.130 4.190 -15.188 526 1HB PHE 75 1HB PHE 75 -0.973 6.271 -17.170 527 2HB PHE 75 2HB PHE 75 0.507 5.390 -17.435 528 HD1 PHE 75 HD1 PHE 75 1.061 5.499 -14.164 529 HD2 PHE 75 HD2 PHE 75 0.379 8.404 -17.265 530 HE1 PHE 75 HE1 PHE 75 2.286 7.190 -12.864 531 HE2 PHE 75 HE2 PHE 75 1.615 10.080 -15.951 532 HZ PHE 75 HZ PHE 75 2.543 9.487 -13.740 533 H GLU 76 H GLU 76 -3.147 4.676 -16.401 534 HA GLU 76 HA GLU 76 -4.141 6.497 -14.333 535 1HB GLU 76 1HB GLU 76 -6.242 6.345 -15.278 536 2HB GLU 76 2HB GLU 76 -6.086 4.652 -15.702 537 1HG GLU 76 1HG GLU 76 -4.363 6.700 -17.185 538 2HG GLU 76 2HG GLU 76 -4.885 5.113 -17.710 539 H GLU 77 H GLU 77 -4.281 2.962 -14.701 540 HA GLU 77 HA GLU 77 -5.788 2.481 -12.170 541 1HB GLU 77 1HB GLU 77 -6.288 0.630 -13.291 542 2HB GLU 77 2HB GLU 77 -5.024 0.895 -14.470 543 1HG GLU 77 1HG GLU 77 -4.227 -0.293 -11.772 544 2HG GLU 77 2HG GLU 77 -3.454 -0.504 -13.338 545 H PHE 78 H PHE 78 -2.429 2.613 -13.147 546 HA PHE 78 HA PHE 78 -1.213 1.274 -10.847 547 1HB PHE 78 1HB PHE 78 -0.070 3.370 -12.790 548 2HB PHE 78 2HB PHE 78 0.073 1.636 -12.926 549 HD1 PHE 78 HD1 PHE 78 2.073 0.606 -12.046 550 HD2 PHE 78 HD2 PHE 78 0.927 4.469 -10.537 551 HE1 PHE 78 HE1 PHE 78 4.175 0.745 -10.773 552 HE2 PHE 78 HE2 PHE 78 3.036 4.592 -9.275 553 HZ PHE 78 HZ PHE 78 4.663 2.737 -9.392 554 H LEU 79 H LEU 79 -2.292 4.567 -11.467 555 HA LEU 79 HA LEU 79 -1.054 5.787 -9.039 556 1HB LEU 79 1HB LEU 79 -3.022 6.805 -11.150 557 2HB LEU 79 2HB LEU 79 -2.749 7.728 -9.688 558 HG LEU 79 HG LEU 79 -0.524 6.944 -11.672 559 1HD1 LEU 79 1HD1 LEU 79 -0.391 8.946 -9.330 560 2HD1 LEU 79 2HD1 LEU 79 0.251 7.294 -9.269 561 3HD1 LEU 79 3HD1 LEU 79 0.944 8.472 -10.411 562 1HD2 LEU 79 1HD2 LEU 79 -0.563 9.259 -12.498 563 2HD2 LEU 79 2HD2 LEU 79 -2.228 8.636 -12.609 564 3HD2 LEU 79 3HD2 LEU 79 -1.788 9.734 -11.294 565 H VAL 80 H VAL 80 -4.205 4.499 -9.976 566 HA VAL 80 HA VAL 80 -5.722 5.371 -7.587 567 HB VAL 80 HB VAL 80 -6.709 4.706 -9.864 568 1HG1 VAL 80 1HG1 VAL 80 -7.429 2.327 -10.165 569 2HG1 VAL 80 2HG1 VAL 80 -5.665 2.454 -10.173 570 3HG1 VAL 80 3HG1 VAL 80 -6.496 1.842 -8.725 571 1HG2 VAL 80 1HG2 VAL 80 -8.069 3.485 -7.373 572 2HG2 VAL 80 2HG2 VAL 80 -8.192 5.186 -7.878 573 3HG2 VAL 80 3HG2 VAL 80 -8.865 3.913 -8.907 574 H MET 81 H MET 81 -3.738 2.603 -8.475 575 HA MET 81 HA MET 81 -4.424 0.744 -6.298 576 1HB MET 81 1HB MET 81 -1.989 0.974 -8.134 577 2HB MET 81 2HB MET 81 -1.976 -0.134 -6.773 578 1HG MET 81 1HG MET 81 -2.768 -0.974 -9.185 579 2HG MET 81 2HG MET 81 -4.327 -0.271 -8.723 580 1HE MET 81 1HE MET 81 -5.780 -2.324 -8.622 581 2HE MET 81 2HE MET 81 -5.908 -3.197 -7.066 582 3HE MET 81 3HE MET 81 -6.060 -1.417 -7.103 583 H MET 82 H MET 82 -1.721 3.053 -6.709 584 HA MET 82 HA MET 82 -0.509 2.586 -4.069 585 1HB MET 82 1HB MET 82 0.557 4.991 -4.658 586 2HB MET 82 2HB MET 82 -0.101 4.662 -6.250 587 1HG MET 82 1HG MET 82 1.162 2.279 -5.938 588 2HG MET 82 2HG MET 82 2.008 3.721 -6.514 589 1HE MET 82 1HE MET 82 4.983 2.980 -4.599 590 2HE MET 82 2HE MET 82 4.440 4.671 -4.807 591 3HE MET 82 3HE MET 82 4.128 3.472 -6.096 592 H VAL 83 H VAL 83 -2.951 4.805 -5.299 593 HA VAL 83 HA VAL 83 -2.927 6.769 -3.101 594 HB VAL 83 HB VAL 83 -4.723 6.256 -5.452 595 1HG1 VAL 83 1HG1 VAL 83 -6.468 7.871 -4.678 596 2HG1 VAL 83 2HG1 VAL 83 -6.446 6.436 -3.644 597 3HG1 VAL 83 3HG1 VAL 83 -5.712 7.950 -3.066 598 1HG2 VAL 83 1HG2 VAL 83 -3.530 8.862 -4.295 599 2HG2 VAL 83 2HG2 VAL 83 -2.863 7.929 -5.655 600 3HG2 VAL 83 3HG2 VAL 83 -4.440 8.715 -5.821 601 NH1 ARG 84 NH1 ARG 84 -9.916 -0.713 -5.639 602 NH2 ARG 84 NH2 ARG 84 -11.667 -0.641 -4.195 603 H ARG 84 H ARG 84 -4.754 3.810 -3.807 604 HA ARG 84 HA ARG 84 -6.843 3.910 -1.787 605 1HB ARG 84 1HB ARG 84 -6.017 2.026 -3.726 606 2HB ARG 84 2HB ARG 84 -5.728 1.188 -2.208 607 1HG ARG 84 1HG ARG 84 -8.413 2.582 -2.610 608 2HG ARG 84 2HG ARG 84 -8.018 1.237 -1.537 609 1HD ARG 84 1HD ARG 84 -7.892 -0.358 -3.364 610 2HD ARG 84 2HD ARG 84 -7.828 0.904 -4.596 611 HE ARG 84 HE ARG 84 -10.347 1.223 -3.168 612 1HH1 ARG 84 1HH1 ARG 84 -8.965 -0.400 -5.865 613 2HH1 ARG 84 2HH1 ARG 84 -10.509 -1.333 -6.202 614 1HH2 ARG 84 1HH2 ARG 84 -12.055 -0.270 -3.320 615 2HH2 ARG 84 2HH2 ARG 84 -12.136 -1.270 -4.857 616 H GLN 85 H GLN 85 -3.686 2.212 -1.640 617 HA GLN 85 HA GLN 85 -3.885 1.354 1.156 618 1HB GLN 85 1HB GLN 85 -1.783 0.426 0.916 619 2HB GLN 85 2HB GLN 85 -2.311 0.497 -0.755 620 1HG GLN 85 1HG GLN 85 -0.706 2.036 -1.379 621 2HG GLN 85 2HG GLN 85 -0.791 2.938 0.118 622 1HE2 GLN 85 1HE2 GLN 85 1.742 -0.380 0.022 623 2HE2 GLN 85 2HE2 GLN 85 0.250 -0.316 -1.043 624 H MET 86 H MET 86 -2.648 4.249 -0.431 625 HA MET 86 HA MET 86 -1.034 5.483 1.583 626 1HB MET 86 1HB MET 86 -2.593 7.605 0.374 627 2HB MET 86 2HB MET 86 -2.344 6.381 -0.857 628 1HG MET 86 1HG MET 86 -0.093 6.834 -1.078 629 2HG MET 86 2HG MET 86 0.163 7.004 0.666 630 1HE MET 86 1HE MET 86 -2.505 8.846 -1.744 631 2HE MET 86 2HE MET 86 -1.624 10.366 -2.074 632 3HE MET 86 3HE MET 86 -0.992 8.816 -2.703 633 H LYS 87 H LYS 87 -4.542 5.299 1.279 634 HA LYS 87 HA LYS 87 -5.276 7.034 3.592 635 1HB LYS 87 1HB LYS 87 -6.798 5.959 1.574 636 2HB LYS 87 2HB LYS 87 -7.434 6.596 3.083 637 1HG LYS 87 1HG LYS 87 -7.417 4.283 4.092 638 2HG LYS 87 2HG LYS 87 -6.835 3.615 2.576 639 1HD LYS 87 1HD LYS 87 -9.398 5.278 2.541 640 2HD LYS 87 2HD LYS 87 -8.888 3.984 1.462 641 1HE LYS 87 1HE LYS 87 -9.715 3.506 4.406 642 2HE LYS 87 2HE LYS 87 -10.805 3.316 3.026 643 1HZ LYS 87 1HZ LYS 87 -9.441 1.303 3.945 644 2HZ LYS 87 2HZ LYS 87 -8.242 1.871 2.961 645 3HZ LYS 87 3HZ LYS 87 -9.704 1.446 2.320 646 H GLU 88 H GLU 88 -5.436 6.513 5.673 647 HA GLU 88 HA GLU 88 -5.707 3.924 6.915 648 1HB GLU 88 1HB GLU 88 -3.153 3.882 7.805 649 2HB GLU 88 2HB GLU 88 -3.735 2.938 6.448 650 1HG GLU 88 1HG GLU 88 -2.692 5.702 5.763 651 2HG GLU 88 2HG GLU 88 -2.550 4.201 4.865 652 H ASP 89 H ASP 89 -4.223 7.120 7.002 653 HA ASP 89 HA ASP 89 -5.007 7.481 9.941 654 1HB ASP 89 1HB ASP 89 -3.526 9.778 9.236 655 2HB ASP 89 2HB ASP 89 -2.697 8.499 8.380 656 H ALA 90 H ALA 90 -7.203 7.602 9.218 657 HA ALA 90 HA ALA 90 -8.195 10.387 8.919 658 1HB ALA 90 1HB ALA 90 -9.385 10.121 6.727 659 2HB ALA 90 2HB ALA 90 -7.628 10.003 6.506 660 3HB ALA 90 3HB ALA 90 -8.627 8.529 6.474 Start of MODEL 39 Raw file had 660 H/Q atoms Start of MODEL 39 1 1H ALA 1 1H ALA 1 -20.741 8.964 -18.673 2 2H ALA 1 2H ALA 1 -21.190 8.956 -20.294 3 3H ALA 1 3H ALA 1 -22.182 9.689 -19.151 4 HA ALA 1 HA ALA 1 -23.037 7.801 -18.365 5 1HB ALA 1 1HB ALA 1 -23.904 6.687 -20.220 6 2HB ALA 1 2HB ALA 1 -22.330 6.499 -21.016 7 3HB ALA 1 3HB ALA 1 -23.178 8.065 -21.082 8 H SER 2 H SER 2 -22.656 5.904 -17.342 9 HA SER 2 HA SER 2 -21.385 4.245 -16.147 10 1HB SER 2 1HB SER 2 -19.580 3.709 -18.489 11 2HB SER 2 2HB SER 2 -20.502 2.595 -17.475 12 HG SER 2 HG SER 2 -21.203 2.992 -19.712 13 H MET 3 H MET 3 -20.521 5.948 -14.825 14 HA MET 3 HA MET 3 -17.715 6.956 -15.426 15 1HB MET 3 1HB MET 3 -19.903 7.847 -13.500 16 2HB MET 3 2HB MET 3 -18.240 8.311 -13.192 17 1HG MET 3 1HG MET 3 -18.210 9.266 -15.645 18 2HG MET 3 2HG MET 3 -19.964 9.037 -15.629 19 1HE MET 3 1HE MET 3 -20.613 11.848 -15.790 20 2HE MET 3 2HE MET 3 -18.894 11.703 -16.262 21 3HE MET 3 3HE MET 3 -19.390 12.952 -15.084 22 H THR 4 H THR 4 -16.494 7.222 -13.160 23 HA THR 4 HA THR 4 -16.751 4.963 -11.250 24 HB THR 4 HB THR 4 -15.726 3.898 -13.293 25 HG1 THR 4 HG1 THR 4 -15.722 3.245 -11.044 26 1HG2 THR 4 1HG2 THR 4 -13.774 5.823 -13.428 27 2HG2 THR 4 2HG2 THR 4 -13.534 4.155 -13.996 28 3HG2 THR 4 3HG2 THR 4 -12.942 4.647 -12.388 29 H ASP 5 H ASP 5 -16.595 6.214 -9.522 30 HA ASP 5 HA ASP 5 -14.705 8.556 -9.349 31 1HB ASP 5 1HB ASP 5 -17.092 8.765 -8.568 32 2HB ASP 5 2HB ASP 5 -15.887 9.274 -7.406 33 H GLN 6 H GLN 6 -13.710 5.735 -9.362 34 HA GLN 6 HA GLN 6 -12.741 5.155 -6.554 35 1HB GLN 6 1HB GLN 6 -13.500 3.452 -8.532 36 2HB GLN 6 2HB GLN 6 -12.431 3.022 -7.211 37 1HG GLN 6 1HG GLN 6 -11.904 2.772 -9.984 38 2HG GLN 6 2HG GLN 6 -10.920 4.144 -9.526 39 1HE2 GLN 6 1HE2 GLN 6 -8.410 1.827 -8.476 40 2HE2 GLN 6 2HE2 GLN 6 -8.879 3.390 -9.315 41 H GLN 7 H GLN 7 -11.586 6.331 -9.672 42 HA GLN 7 HA GLN 7 -8.687 6.485 -8.746 43 1HB GLN 7 1HB GLN 7 -8.385 7.377 -11.217 44 2HB GLN 7 2HB GLN 7 -8.636 5.664 -10.910 45 1HG GLN 7 1HG GLN 7 -10.190 5.791 -12.563 46 2HG GLN 7 2HG GLN 7 -11.265 6.366 -11.298 47 1HE2 GLN 7 1HE2 GLN 7 -11.777 9.151 -13.557 48 2HE2 GLN 7 2HE2 GLN 7 -12.463 7.623 -12.806 49 H ALA 8 H ALA 8 -11.452 8.484 -9.663 50 HA ALA 8 HA ALA 8 -10.318 11.108 -9.924 51 1HB ALA 8 1HB ALA 8 -12.553 11.985 -9.264 52 2HB ALA 8 2HB ALA 8 -12.700 10.627 -10.395 53 3HB ALA 8 3HB ALA 8 -13.041 10.382 -8.663 54 H GLU 9 H GLU 9 -10.961 9.175 -7.054 55 HA GLU 9 HA GLU 9 -10.717 11.278 -5.010 56 1HB GLU 9 1HB GLU 9 -10.031 8.386 -4.330 57 2HB GLU 9 2HB GLU 9 -10.817 9.615 -3.349 58 1HG GLU 9 1HG GLU 9 -12.692 9.339 -5.425 59 2HG GLU 9 2HG GLU 9 -12.058 7.702 -5.299 60 H ALA 10 H ALA 10 -8.426 8.880 -6.316 61 HA ALA 10 HA ALA 10 -6.167 9.531 -4.540 62 1HB ALA 10 1HB ALA 10 -4.810 8.136 -6.092 63 2HB ALA 10 2HB ALA 10 -6.336 7.335 -5.671 64 3HB ALA 10 3HB ALA 10 -6.142 8.095 -7.271 65 NH1 ARG 11 NH1 ARG 11 -3.670 11.987 -13.286 66 NH2 ARG 11 NH2 ARG 11 -5.157 13.420 -14.232 67 H ARG 11 H ARG 11 -7.275 10.692 -7.675 68 HA ARG 11 HA ARG 11 -4.811 12.123 -8.530 69 1HB ARG 11 1HB ARG 11 -7.648 12.769 -9.512 70 2HB ARG 11 2HB ARG 11 -6.116 13.044 -10.327 71 1HG ARG 11 1HG ARG 11 -6.481 10.166 -9.687 72 2HG ARG 11 2HG ARG 11 -7.803 10.796 -10.672 73 1HD ARG 11 1HD ARG 11 -4.840 10.595 -11.355 74 2HD ARG 11 2HD ARG 11 -6.232 10.127 -12.334 75 HE ARG 11 HE ARG 11 -6.457 12.966 -12.138 76 1HH1 ARG 11 1HH1 ARG 11 -3.472 11.312 -12.539 77 2HH1 ARG 11 2HH1 ARG 11 -3.029 12.289 -14.028 78 1HH2 ARG 11 1HH2 ARG 11 -6.103 13.816 -14.226 79 2HH2 ARG 11 2HH2 ARG 11 -4.402 13.641 -14.891 80 H ALA 12 H ALA 12 -7.803 12.976 -6.834 81 HA ALA 12 HA ALA 12 -7.313 15.901 -6.605 82 1HB ALA 12 1HB ALA 12 -9.184 15.878 -4.968 83 2HB ALA 12 2HB ALA 12 -9.608 14.985 -6.442 84 3HB ALA 12 3HB ALA 12 -9.192 14.098 -4.954 85 H PHE 13 H PHE 13 -6.467 13.019 -4.768 86 HA PHE 13 HA PHE 13 -5.688 14.228 -2.241 87 1HB PHE 13 1HB PHE 13 -6.092 11.718 -2.884 88 2HB PHE 13 2HB PHE 13 -4.415 11.675 -3.363 89 HD1 PHE 13 HD1 PHE 13 -3.389 13.631 -1.079 90 HD2 PHE 13 HD2 PHE 13 -5.982 10.195 -1.015 91 HE1 PHE 13 HE1 PHE 13 -2.795 13.211 1.272 92 HE2 PHE 13 HE2 PHE 13 -5.376 9.795 1.335 93 HZ PHE 13 HZ PHE 13 -3.782 11.294 2.481 94 H LEU 14 H LEU 14 -3.773 13.287 -5.108 95 HA LEU 14 HA LEU 14 -1.534 15.225 -4.291 96 1HB LEU 14 1HB LEU 14 -0.094 13.443 -5.740 97 2HB LEU 14 2HB LEU 14 -0.234 13.387 -3.996 98 HG LEU 14 HG LEU 14 -2.314 11.756 -4.470 99 1HD1 LEU 14 1HD1 LEU 14 0.575 10.751 -4.863 100 2HD1 LEU 14 2HD1 LEU 14 -0.130 11.174 -3.292 101 3HD1 LEU 14 3HD1 LEU 14 -0.807 9.820 -4.230 102 1HD2 LEU 14 1HD2 LEU 14 -2.129 10.389 -6.507 103 2HD2 LEU 14 2HD2 LEU 14 -2.215 12.092 -7.021 104 3HD2 LEU 14 3HD2 LEU 14 -0.658 11.250 -7.026 105 H SER 15 H SER 15 -1.297 16.748 -5.716 106 HA SER 15 HA SER 15 -2.671 16.783 -8.364 107 1HB SER 15 1HB SER 15 -0.778 18.986 -8.048 108 2HB SER 15 2HB SER 15 -1.671 18.750 -6.543 109 HG SER 15 HG SER 15 -2.652 20.096 -8.187 110 H GLU 16 H GLU 16 -0.721 18.252 -9.816 111 HA GLU 16 HA GLU 16 0.828 16.028 -11.055 112 1HB GLU 16 1HB GLU 16 0.525 18.985 -11.761 113 2HB GLU 16 2HB GLU 16 -0.220 17.604 -12.543 114 1HG GLU 16 1HG GLU 16 1.456 17.874 -14.091 115 2HG GLU 16 2HG GLU 16 2.434 16.956 -12.959 116 H GLU 17 H GLU 17 1.453 18.814 -9.018 117 HA GLU 17 HA GLU 17 4.356 19.010 -9.295 118 1HB GLU 17 1HB GLU 17 3.709 20.904 -8.251 119 2HB GLU 17 2HB GLU 17 4.179 20.012 -6.817 120 1HG GLU 17 1HG GLU 17 2.122 20.681 -6.031 121 2HG GLU 17 2HG GLU 17 1.522 19.284 -6.907 122 H MET 18 H MET 18 2.288 17.171 -7.066 123 HA MET 18 HA MET 18 4.563 15.968 -5.522 124 1HB MET 18 1HB MET 18 2.557 14.487 -4.584 125 2HB MET 18 2HB MET 18 1.533 15.658 -5.394 126 1HG MET 18 1HG MET 18 1.635 16.652 -3.290 127 2HG MET 18 2HG MET 18 3.023 17.464 -4.033 128 1HE MET 18 1HE MET 18 3.891 17.974 -1.495 129 2HE MET 18 2HE MET 18 5.327 16.975 -1.123 130 3HE MET 18 3HE MET 18 5.150 17.714 -2.743 131 H ILE 19 H ILE 19 2.373 15.095 -8.137 132 HA ILE 19 HA ILE 19 2.884 12.201 -8.194 133 HB ILE 19 HB ILE 19 1.558 14.140 -10.095 134 1HG1 ILE 19 1HG1 ILE 19 0.485 11.433 -9.110 135 2HG1 ILE 19 2HG1 ILE 19 0.452 12.834 -8.061 136 1HG2 ILE 19 1HG2 ILE 19 1.183 12.366 -11.827 137 2HG2 ILE 19 2HG2 ILE 19 2.904 12.710 -11.673 138 3HG2 ILE 19 3HG2 ILE 19 2.233 11.239 -10.934 139 1HD1 ILE 19 1HD1 ILE 19 -1.009 12.665 -10.763 140 2HD1 ILE 19 2HD1 ILE 19 -1.722 12.645 -9.137 141 3HD1 ILE 19 3HD1 ILE 19 -0.933 14.123 -9.736 142 H ALA 20 H ALA 20 4.581 15.006 -9.427 143 HA ALA 20 HA ALA 20 6.101 13.934 -11.616 144 1HB ALA 20 1HB ALA 20 7.691 15.815 -11.230 145 2HB ALA 20 2HB ALA 20 6.005 16.355 -11.098 146 3HB ALA 20 3HB ALA 20 6.985 16.125 -9.627 147 H GLU 21 H GLU 21 6.994 14.083 -8.152 148 HA GLU 21 HA GLU 21 9.630 12.804 -8.406 149 1HB GLU 21 1HB GLU 21 9.478 14.037 -6.462 150 2HB GLU 21 2HB GLU 21 9.350 12.398 -5.856 151 1HG GLU 21 1HG GLU 21 7.131 14.508 -6.095 152 2HG GLU 21 2HG GLU 21 6.716 12.809 -5.937 153 H PHE 22 H PHE 22 6.339 11.640 -7.978 154 HA PHE 22 HA PHE 22 7.111 8.783 -7.459 155 1HB PHE 22 1HB PHE 22 5.158 9.420 -6.275 156 2HB PHE 22 2HB PHE 22 4.494 10.321 -7.611 157 HD1 PHE 22 HD1 PHE 22 5.154 6.765 -6.511 158 HD2 PHE 22 HD2 PHE 22 2.963 9.327 -9.188 159 HE1 PHE 22 HE1 PHE 22 3.616 4.919 -7.035 160 HE2 PHE 22 HE2 PHE 22 1.442 7.463 -9.708 161 HZ PHE 22 HZ PHE 22 1.737 5.273 -8.602 162 H LYS 23 H LYS 23 6.738 10.760 -10.219 163 HA LYS 23 HA LYS 23 5.485 8.818 -12.116 164 1HB LYS 23 1HB LYS 23 6.541 11.615 -12.270 165 2HB LYS 23 2HB LYS 23 6.866 10.675 -13.710 166 1HG LYS 23 1HG LYS 23 4.590 10.477 -14.295 167 2HG LYS 23 2HG LYS 23 4.040 10.588 -12.632 168 1HD LYS 23 1HD LYS 23 5.255 13.129 -13.112 169 2HD LYS 23 2HD LYS 23 3.530 12.778 -12.953 170 1HE LYS 23 1HE LYS 23 5.103 12.643 -15.614 171 2HE LYS 23 2HE LYS 23 3.370 12.326 -15.440 172 1HZ LYS 23 1HZ LYS 23 4.803 14.881 -15.276 173 2HZ LYS 23 2HZ LYS 23 3.447 14.720 -14.346 174 3HZ LYS 23 3HZ LYS 23 3.352 14.530 -15.984 175 H ALA 24 H ALA 24 8.748 9.825 -11.197 176 HA ALA 24 HA ALA 24 10.306 8.695 -13.364 177 1HB ALA 24 1HB ALA 24 12.242 8.792 -11.805 178 2HB ALA 24 2HB ALA 24 11.273 10.275 -11.719 179 3HB ALA 24 3HB ALA 24 11.155 9.059 -10.421 180 H ALA 25 H ALA 25 9.339 7.292 -10.225 181 HA ALA 25 HA ALA 25 10.747 4.735 -10.488 182 1HB ALA 25 1HB ALA 25 9.399 4.016 -8.524 183 2HB ALA 25 2HB ALA 25 10.063 5.644 -8.285 184 3HB ALA 25 3HB ALA 25 8.339 5.437 -8.689 185 H PHE 26 H PHE 26 7.636 5.889 -11.590 186 HA PHE 26 HA PHE 26 6.118 3.439 -11.867 187 1HB PHE 26 1HB PHE 26 4.923 5.497 -12.188 188 2HB PHE 26 2HB PHE 26 5.967 6.043 -13.472 189 HD1 PHE 26 HD1 PHE 26 3.682 3.094 -12.686 190 HD2 PHE 26 HD2 PHE 26 5.167 5.766 -15.713 191 HE1 PHE 26 HE1 PHE 26 2.056 2.189 -14.298 192 HE2 PHE 26 HE2 PHE 26 3.543 4.838 -17.315 193 HZ PHE 26 HZ PHE 26 1.968 3.073 -16.604 194 H ASP 27 H ASP 27 8.465 4.991 -14.037 195 HA ASP 27 HA ASP 27 8.203 3.134 -16.306 196 1HB ASP 27 1HB ASP 27 10.210 4.128 -17.250 197 2HB ASP 27 2HB ASP 27 9.160 5.381 -16.630 198 H MET 28 H MET 28 10.117 3.188 -13.360 199 HA MET 28 HA MET 28 12.129 1.180 -13.926 200 1HB MET 28 1HB MET 28 11.694 2.697 -11.721 201 2HB MET 28 2HB MET 28 10.944 1.222 -11.139 202 1HG MET 28 1HG MET 28 13.161 -0.021 -11.748 203 2HG MET 28 2HG MET 28 13.204 1.089 -10.369 204 1HE MET 28 1HE MET 28 14.971 2.838 -10.063 205 2HE MET 28 2HE MET 28 15.467 3.967 -11.360 206 3HE MET 28 3HE MET 28 13.751 3.880 -10.863 207 H PHE 29 H PHE 29 8.803 0.867 -12.706 208 HA PHE 29 HA PHE 29 8.900 -2.072 -12.287 209 1HB PHE 29 1HB PHE 29 6.452 -0.211 -12.462 210 2HB PHE 29 2HB PHE 29 6.382 -1.896 -12.019 211 HD1 PHE 29 HD1 PHE 29 6.075 -2.218 -9.704 212 HD2 PHE 29 HD2 PHE 29 8.625 1.014 -10.965 213 HE1 PHE 29 HE1 PHE 29 6.484 -1.607 -7.355 214 HE2 PHE 29 HE2 PHE 29 9.014 1.610 -8.610 215 HZ PHE 29 HZ PHE 29 7.938 0.314 -6.805 216 H ASP 30 H ASP 30 7.860 0.119 -14.858 217 HA ASP 30 HA ASP 30 6.414 -1.777 -16.546 218 1HB ASP 30 1HB ASP 30 7.873 0.575 -17.812 219 2HB ASP 30 2HB ASP 30 6.589 0.893 -16.668 220 H ALA 31 H ALA 31 9.527 -0.291 -17.460 221 HA ALA 31 HA ALA 31 11.575 -1.217 -18.340 222 1HB ALA 31 1HB ALA 31 12.127 -3.597 -17.836 223 2HB ALA 31 2HB ALA 31 11.543 -2.740 -16.397 224 3HB ALA 31 3HB ALA 31 10.474 -3.887 -17.245 225 H ASP 32 H ASP 32 8.940 -1.005 -19.769 226 HA ASP 32 HA ASP 32 9.504 -2.879 -22.124 227 1HB ASP 32 1HB ASP 32 7.014 -2.662 -20.602 228 2HB ASP 32 2HB ASP 32 7.497 -3.827 -21.812 229 H GLY 33 H GLY 33 7.868 0.150 -21.138 230 1HA GLY 33 1HA GLY 33 8.358 2.412 -22.065 231 2HA GLY 33 2HA GLY 33 9.184 1.644 -23.401 232 H GLY 34 H GLY 34 5.905 1.647 -21.949 233 1HA GLY 34 1HA GLY 34 4.689 2.409 -24.668 234 2HA GLY 34 2HA GLY 34 3.959 1.117 -23.706 235 H GLY 35 H GLY 35 2.763 1.563 -21.924 236 1HA GLY 35 1HA GLY 35 2.703 4.048 -20.375 237 2HA GLY 35 2HA GLY 35 1.421 4.154 -21.590 238 H ASP 36 H ASP 36 2.622 1.270 -19.905 239 HA ASP 36 HA ASP 36 0.706 1.053 -17.758 240 1HB ASP 36 1HB ASP 36 -1.258 0.719 -18.831 241 2HB ASP 36 2HB ASP 36 -0.693 -0.929 -18.980 242 H ILE 37 H ILE 37 1.267 -0.588 -16.484 243 HA ILE 37 HA ILE 37 3.459 -2.494 -17.392 244 HB ILE 37 HB ILE 37 2.634 -2.580 -14.527 245 1HG1 ILE 37 1HG1 ILE 37 4.515 -0.278 -15.225 246 2HG1 ILE 37 2HG1 ILE 37 2.784 -0.003 -15.283 247 1HG2 ILE 37 1HG2 ILE 37 5.036 -2.979 -14.149 248 2HG2 ILE 37 2HG2 ILE 37 4.457 -4.018 -15.458 249 3HG2 ILE 37 3HG2 ILE 37 5.419 -2.570 -15.838 250 1HD1 ILE 37 1HD1 ILE 37 4.320 -0.903 -12.772 251 2HD1 ILE 37 2HD1 ILE 37 3.599 0.690 -13.091 252 3HD1 ILE 37 3HD1 ILE 37 2.547 -0.727 -12.870 253 H SER 38 H SER 38 3.260 -4.694 -16.120 254 HA SER 38 HA SER 38 0.457 -5.852 -16.499 255 1HB SER 38 1HB SER 38 0.975 -7.304 -18.194 256 2HB SER 38 2HB SER 38 2.092 -6.006 -18.621 257 HG SER 38 HG SER 38 3.023 -8.097 -18.552 258 H THR 39 H THR 39 1.069 -8.477 -16.176 259 HA THR 39 HA THR 39 1.795 -8.655 -13.257 260 HB THR 39 HB THR 39 1.267 -11.280 -14.060 261 HG1 THR 39 HG1 THR 39 0.551 -10.760 -16.019 262 1HG2 THR 39 1HG2 THR 39 -0.903 -11.058 -12.932 263 2HG2 THR 39 2HG2 THR 39 0.313 -10.143 -12.011 264 3HG2 THR 39 3HG2 THR 39 -0.854 -9.284 -13.051 265 H LYS 40 H LYS 40 2.895 -9.959 -16.388 266 HA LYS 40 HA LYS 40 5.070 -11.656 -15.447 267 1HB LYS 40 1HB LYS 40 4.978 -10.174 -18.123 268 2HB LYS 40 2HB LYS 40 4.005 -11.589 -17.814 269 1HG LYS 40 1HG LYS 40 7.087 -11.497 -17.586 270 2HG LYS 40 2HG LYS 40 6.108 -12.940 -17.539 271 1HD LYS 40 1HD LYS 40 6.006 -11.263 -20.099 272 2HD LYS 40 2HD LYS 40 7.465 -12.124 -19.704 273 1HE LYS 40 1HE LYS 40 5.572 -14.145 -19.321 274 2HE LYS 40 2HE LYS 40 4.905 -13.276 -20.696 275 1HZ LYS 40 1HZ LYS 40 7.390 -13.469 -21.534 276 2HZ LYS 40 2HZ LYS 40 6.347 -14.740 -21.698 277 3HZ LYS 40 3HZ LYS 40 7.454 -14.732 -20.471 278 H GLU 41 H GLU 41 5.137 -8.339 -16.810 279 HA GLU 41 HA GLU 41 7.969 -7.790 -16.423 280 1HB GLU 41 1HB GLU 41 7.597 -5.591 -17.071 281 2HB GLU 41 2HB GLU 41 6.017 -5.494 -16.325 282 1HG GLU 41 1HG GLU 41 6.759 -6.719 -19.027 283 2HG GLU 41 2HG GLU 41 5.307 -7.257 -18.212 284 H LEU 42 H LEU 42 5.131 -6.921 -14.434 285 HA LEU 42 HA LEU 42 6.421 -5.356 -12.373 286 1HB LEU 42 1HB LEU 42 4.070 -5.253 -12.334 287 2HB LEU 42 2HB LEU 42 3.859 -6.986 -12.464 288 HG LEU 42 HG LEU 42 4.975 -6.996 -9.994 289 1HD1 LEU 42 1HD1 LEU 42 4.269 -4.994 -8.657 290 2HD1 LEU 42 2HD1 LEU 42 5.459 -4.556 -9.892 291 3HD1 LEU 42 3HD1 LEU 42 3.739 -4.169 -10.145 292 1HD2 LEU 42 1HD2 LEU 42 2.020 -6.222 -10.487 293 2HD2 LEU 42 2HD2 LEU 42 2.684 -7.874 -10.507 294 3HD2 LEU 42 3HD2 LEU 42 2.679 -6.945 -8.997 295 H GLY 43 H GLY 43 5.991 -8.852 -12.727 296 1HA GLY 43 1HA GLY 43 7.061 -10.744 -11.639 297 2HA GLY 43 2HA GLY 43 6.668 -9.870 -10.153 298 H THR 44 H THR 44 8.930 -9.144 -12.815 299 HA THR 44 HA THR 44 11.388 -9.992 -11.649 300 HB THR 44 HB THR 44 10.695 -8.103 -13.838 301 HG1 THR 44 HG1 THR 44 11.258 -10.010 -14.479 302 1HG2 THR 44 1HG2 THR 44 13.026 -7.252 -14.153 303 2HG2 THR 44 2HG2 THR 44 12.288 -6.574 -12.687 304 3HG2 THR 44 3HG2 THR 44 13.488 -7.885 -12.553 305 H VAL 45 H VAL 45 10.065 -6.669 -11.592 306 HA VAL 45 HA VAL 45 12.064 -5.385 -9.985 307 HB VAL 45 HB VAL 45 9.335 -4.698 -10.835 308 1HG1 VAL 45 1HG1 VAL 45 11.701 -2.831 -10.186 309 2HG1 VAL 45 2HG1 VAL 45 11.543 -3.703 -11.716 310 3HG1 VAL 45 3HG1 VAL 45 10.314 -2.502 -11.258 311 1HG2 VAL 45 1HG2 VAL 45 8.740 -3.012 -9.173 312 2HG2 VAL 45 2HG2 VAL 45 8.973 -4.533 -8.280 313 3HG2 VAL 45 3HG2 VAL 45 10.234 -3.292 -8.240 314 H MET 46 H MET 46 9.108 -7.117 -8.993 315 HA MET 46 HA MET 46 9.094 -6.624 -6.163 316 1HB MET 46 1HB MET 46 8.143 -9.090 -7.717 317 2HB MET 46 2HB MET 46 8.024 -8.999 -5.970 318 1HG MET 46 1HG MET 46 6.836 -6.711 -7.619 319 2HG MET 46 2HG MET 46 5.967 -8.250 -7.496 320 1HE MET 46 1HE MET 46 4.178 -6.176 -6.432 321 2HE MET 46 2HE MET 46 4.495 -5.447 -4.831 322 3HE MET 46 3HE MET 46 5.497 -4.979 -6.236 323 NH1 ARG 47 NH1 ARG 47 7.895 -12.159 -3.465 324 NH2 ARG 47 NH2 ARG 47 6.601 -13.447 -4.819 325 H ARG 47 H ARG 47 10.381 -9.573 -7.732 326 HA ARG 47 HA ARG 47 12.270 -10.144 -5.442 327 1HB ARG 47 1HB ARG 47 12.905 -12.162 -6.970 328 2HB ARG 47 2HB ARG 47 11.579 -11.656 -8.010 329 1HG ARG 47 1HG ARG 47 10.648 -13.349 -6.592 330 2HG ARG 47 2HG ARG 47 11.412 -12.699 -5.141 331 1HD ARG 47 1HD ARG 47 9.764 -11.049 -4.809 332 2HD ARG 47 2HD ARG 47 9.514 -10.805 -6.531 333 HE ARG 47 HE ARG 47 8.109 -12.914 -6.607 334 1HH1 ARG 47 1HH1 ARG 47 8.721 -11.558 -3.374 335 2HH1 ARG 47 2HH1 ARG 47 7.231 -12.408 -2.723 336 1HH2 ARG 47 1HH2 ARG 47 6.439 -13.830 -5.757 337 2HH2 ARG 47 2HH2 ARG 47 6.028 -13.605 -3.983 338 H MET 48 H MET 48 12.852 -7.729 -6.653 339 HA MET 48 HA MET 48 14.895 -7.733 -8.738 340 1HB MET 48 1HB MET 48 15.723 -5.591 -7.201 341 2HB MET 48 2HB MET 48 14.075 -5.758 -6.625 342 1HG MET 48 1HG MET 48 13.901 -5.913 -9.511 343 2HG MET 48 2HG MET 48 13.322 -4.623 -8.443 344 1HE MET 48 1HE MET 48 14.351 -4.081 -11.476 345 2HE MET 48 2HE MET 48 16.098 -3.739 -11.649 346 3HE MET 48 3HE MET 48 15.540 -5.417 -11.381 347 H LEU 49 H LEU 49 15.008 -8.291 -5.257 348 HA LEU 49 HA LEU 49 17.792 -8.097 -4.642 349 1HB LEU 49 1HB LEU 49 16.969 -8.673 -2.640 350 2HB LEU 49 2HB LEU 49 17.084 -10.346 -3.147 351 HG LEU 49 HG LEU 49 14.912 -10.141 -2.224 352 1HD1 LEU 49 1HD1 LEU 49 13.272 -8.342 -2.741 353 2HD1 LEU 49 2HD1 LEU 49 14.782 -7.645 -2.126 354 3HD1 LEU 49 3HD1 LEU 49 14.418 -7.572 -3.868 355 1HD2 LEU 49 1HD2 LEU 49 14.458 -9.869 -5.272 356 2HD2 LEU 49 2HD2 LEU 49 14.777 -11.383 -4.391 357 3HD2 LEU 49 3HD2 LEU 49 13.278 -10.491 -4.091 358 H GLY 50 H GLY 50 16.471 -11.370 -4.785 359 1HA GLY 50 1HA GLY 50 18.035 -12.274 -7.181 360 2HA GLY 50 2HA GLY 50 18.789 -12.784 -5.664 361 H GLN 51 H GLN 51 15.513 -12.647 -7.080 362 HA GLN 51 HA GLN 51 15.120 -15.623 -6.552 363 1HB GLN 51 1HB GLN 51 13.019 -13.557 -5.679 364 2HB GLN 51 2HB GLN 51 14.144 -14.343 -4.588 365 1HG GLN 51 1HG GLN 51 11.744 -15.518 -6.026 366 2HG GLN 51 2HG GLN 51 13.083 -16.601 -5.718 367 1HE2 GLN 51 1HE2 GLN 51 10.505 -16.127 -2.746 368 2HE2 GLN 51 2HE2 GLN 51 10.224 -16.057 -4.558 369 H ASN 52 H ASN 52 12.979 -16.266 -7.652 370 HA ASN 52 HA ASN 52 12.233 -14.680 -10.074 371 1HB ASN 52 1HB ASN 52 13.444 -17.427 -10.647 372 2HB ASN 52 2HB ASN 52 14.483 -16.024 -10.518 373 1HD2 ASN 52 1HD2 ASN 52 13.407 -16.569 -14.138 374 2HD2 ASN 52 2HD2 ASN 52 14.207 -17.587 -12.838 375 HA PRO 53 HA PRO 53 8.811 -17.568 -8.535 376 1HB PRO 53 1HB PRO 53 6.667 -15.845 -8.740 377 2HB PRO 53 2HB PRO 53 7.854 -15.799 -7.428 378 1HG PRO 53 1HG PRO 53 7.729 -14.011 -9.899 379 2HG PRO 53 2HG PRO 53 8.023 -13.531 -8.212 380 1HD PRO 53 1HD PRO 53 10.342 -14.112 -8.367 381 2HD PRO 53 2HD PRO 53 10.060 -13.958 -10.126 382 H THR 54 H THR 54 6.506 -17.962 -9.625 383 HA THR 54 HA THR 54 7.001 -18.571 -12.551 384 HB THR 54 HB THR 54 6.096 -20.259 -10.684 385 HG1 THR 54 HG1 THR 54 6.570 -20.691 -12.842 386 1HG2 THR 54 1HG2 THR 54 3.664 -20.679 -10.852 387 2HG2 THR 54 2HG2 THR 54 3.948 -19.061 -10.169 388 3HG2 THR 54 3HG2 THR 54 3.440 -19.235 -11.868 389 H LYS 55 H LYS 55 5.000 -18.429 -13.964 390 HA LYS 55 HA LYS 55 4.202 -15.544 -14.040 391 1HB LYS 55 1HB LYS 55 3.686 -17.865 -16.002 392 2HB LYS 55 2HB LYS 55 4.947 -16.656 -16.126 393 1HG LYS 55 1HG LYS 55 2.968 -14.905 -16.241 394 2HG LYS 55 2HG LYS 55 3.447 -15.809 -17.667 395 1HD LYS 55 1HD LYS 55 0.973 -15.791 -17.518 396 2HD LYS 55 2HD LYS 55 1.020 -16.317 -15.842 397 1HE LYS 55 1HE LYS 55 2.283 -18.472 -16.884 398 2HE LYS 55 2HE LYS 55 0.527 -18.378 -16.779 399 1HZ LYS 55 1HZ LYS 55 0.370 -17.953 -19.061 400 2HZ LYS 55 2HZ LYS 55 1.639 -19.009 -19.008 401 3HZ LYS 55 3HZ LYS 55 1.916 -17.392 -19.209 402 H GLU 56 H GLU 56 2.722 -18.705 -13.529 403 HA GLU 56 HA GLU 56 -0.099 -17.915 -13.670 404 1HB GLU 56 1HB GLU 56 -0.113 -20.167 -12.029 405 2HB GLU 56 2HB GLU 56 1.405 -20.369 -12.882 406 1HG GLU 56 1HG GLU 56 -1.319 -19.932 -14.272 407 2HG GLU 56 2HG GLU 56 0.203 -20.226 -15.094 408 H GLU 57 H GLU 57 2.317 -18.014 -11.106 409 HA GLU 57 HA GLU 57 0.544 -17.732 -8.773 410 1HB GLU 57 1HB GLU 57 3.374 -16.676 -8.660 411 2HB GLU 57 2HB GLU 57 3.132 -18.383 -8.962 412 1HG GLU 57 1HG GLU 57 3.445 -17.416 -6.463 413 2HG GLU 57 2HG GLU 57 1.714 -17.113 -6.553 414 H LEU 58 H LEU 58 2.398 -15.402 -10.735 415 HA LEU 58 HA LEU 58 1.730 -13.012 -9.163 416 1HB LEU 58 1HB LEU 58 3.203 -13.638 -11.677 417 2HB LEU 58 2HB LEU 58 2.390 -12.087 -11.734 418 HG LEU 58 HG LEU 58 3.998 -12.672 -9.225 419 1HD1 LEU 58 1HD1 LEU 58 6.161 -11.971 -10.322 420 2HD1 LEU 58 2HD1 LEU 58 5.591 -13.520 -10.960 421 3HD1 LEU 58 3HD1 LEU 58 5.381 -12.037 -11.923 422 1HD2 LEU 58 1HD2 LEU 58 3.700 -10.151 -10.984 423 2HD2 LEU 58 2HD2 LEU 58 2.790 -10.502 -9.493 424 3HD2 LEU 58 3HD2 LEU 58 4.543 -10.243 -9.417 425 H ASP 59 H ASP 59 0.307 -14.663 -11.930 426 HA ASP 59 HA ASP 59 -1.540 -12.622 -12.876 427 1HB ASP 59 1HB ASP 59 -0.942 -14.674 -14.200 428 2HB ASP 59 2HB ASP 59 -1.879 -15.665 -13.105 429 H ALA 60 H ALA 60 -1.753 -15.046 -10.324 430 HA ALA 60 HA ALA 60 -4.628 -14.597 -9.678 431 1HB ALA 60 1HB ALA 60 -4.204 -16.123 -7.757 432 2HB ALA 60 2HB ALA 60 -3.577 -16.800 -9.272 433 3HB ALA 60 3HB ALA 60 -2.455 -16.097 -8.080 434 H ILE 61 H ILE 61 -1.511 -13.409 -8.564 435 HA ILE 61 HA ILE 61 -2.326 -12.231 -6.003 436 HB ILE 61 HB ILE 61 0.122 -12.091 -7.716 437 1HG1 ILE 61 1HG1 ILE 61 -0.634 -13.258 -5.195 438 2HG1 ILE 61 2HG1 ILE 61 0.905 -13.376 -6.023 439 1HG2 ILE 61 1HG2 ILE 61 1.148 -10.165 -6.473 440 2HG2 ILE 61 2HG2 ILE 61 -0.251 -9.629 -7.400 441 3HG2 ILE 61 3HG2 ILE 61 -0.396 -9.855 -5.641 442 1HD1 ILE 61 1HD1 ILE 61 0.227 -11.218 -3.937 443 2HD1 ILE 61 2HD1 ILE 61 1.322 -12.605 -3.752 444 3HD1 ILE 61 3HD1 ILE 61 1.746 -11.291 -4.873 445 H ILE 62 H ILE 62 -2.226 -11.085 -9.345 446 HA ILE 62 HA ILE 62 -2.923 -8.244 -8.721 447 HB ILE 62 HB ILE 62 -2.409 -9.798 -11.253 448 1HG1 ILE 62 1HG1 ILE 62 -0.488 -8.652 -10.249 449 2HG1 ILE 62 2HG1 ILE 62 -1.377 -7.157 -10.056 450 1HG2 ILE 62 1HG2 ILE 62 -3.224 -7.934 -12.725 451 2HG2 ILE 62 2HG2 ILE 62 -4.568 -8.639 -11.830 452 3HG2 ILE 62 3HG2 ILE 62 -3.888 -7.081 -11.310 453 1HD1 ILE 62 1HD1 ILE 62 -1.424 -6.726 -12.497 454 2HD1 ILE 62 2HD1 ILE 62 0.238 -7.017 -11.944 455 3HD1 ILE 62 3HD1 ILE 62 -0.639 -8.298 -12.813 456 H GLU 63 H GLU 63 -4.542 -11.211 -9.758 457 HA GLU 63 HA GLU 63 -7.179 -10.359 -10.398 458 1HB GLU 63 1HB GLU 63 -6.022 -12.884 -9.318 459 2HB GLU 63 2HB GLU 63 -7.053 -12.609 -10.708 460 1HG GLU 63 1HG GLU 63 -7.837 -13.129 -7.806 461 2HG GLU 63 2HG GLU 63 -8.941 -12.181 -8.787 462 H GLU 64 H GLU 64 -5.608 -10.621 -7.254 463 HA GLU 64 HA GLU 64 -7.870 -10.101 -5.492 464 1HB GLU 64 1HB GLU 64 -5.378 -10.841 -4.965 465 2HB GLU 64 2HB GLU 64 -5.068 -9.123 -4.808 466 1HG GLU 64 1HG GLU 64 -7.441 -10.239 -3.257 467 2HG GLU 64 2HG GLU 64 -5.841 -10.727 -2.728 468 H VAL 65 H VAL 65 -5.322 -7.836 -6.601 469 HA VAL 65 HA VAL 65 -7.190 -5.475 -6.094 470 HB VAL 65 HB VAL 65 -5.116 -5.359 -4.824 471 1HG1 VAL 65 1HG1 VAL 65 -4.985 -3.202 -7.028 472 2HG1 VAL 65 2HG1 VAL 65 -6.198 -3.214 -5.734 473 3HG1 VAL 65 3HG1 VAL 65 -4.473 -3.052 -5.329 474 1HG2 VAL 65 1HG2 VAL 65 -2.861 -5.197 -5.756 475 2HG2 VAL 65 2HG2 VAL 65 -3.595 -6.653 -6.469 476 3HG2 VAL 65 3HG2 VAL 65 -3.470 -5.173 -7.429 477 H ASP 66 H ASP 66 -8.284 -6.196 -8.090 478 HA ASP 66 HA ASP 66 -7.574 -4.497 -10.400 479 1HB ASP 66 1HB ASP 66 -5.938 -6.574 -10.562 480 2HB ASP 66 2HB ASP 66 -7.346 -7.455 -11.110 481 H GLU 67 H GLU 67 -9.741 -4.731 -8.760 482 HA GLU 67 HA GLU 67 -11.919 -6.373 -10.038 483 1HB GLU 67 1HB GLU 67 -11.507 -5.803 -7.459 484 2HB GLU 67 2HB GLU 67 -12.435 -4.359 -7.818 485 1HG GLU 67 1HG GLU 67 -14.170 -6.186 -8.889 486 2HG GLU 67 2HG GLU 67 -14.209 -5.703 -7.202 487 H ASP 68 H ASP 68 -10.569 -4.156 -11.529 488 HA ASP 68 HA ASP 68 -12.829 -2.132 -11.891 489 1HB ASP 68 1HB ASP 68 -10.509 -1.216 -11.372 490 2HB ASP 68 2HB ASP 68 -11.321 -0.547 -12.768 491 H GLY 69 H GLY 69 -10.647 -4.374 -13.579 492 1HA GLY 69 1HA GLY 69 -11.496 -5.892 -15.408 493 2HA GLY 69 2HA GLY 69 -12.689 -4.656 -15.829 494 H SER 70 H SER 70 -9.139 -4.765 -15.444 495 HA SER 70 HA SER 70 -8.803 -3.397 -18.173 496 1HB SER 70 1HB SER 70 -8.453 -1.793 -16.279 497 2HB SER 70 2HB SER 70 -7.032 -1.993 -17.307 498 HG SER 70 HG SER 70 -7.365 -3.619 -15.035 499 H GLY 71 H GLY 71 -7.390 -5.477 -15.654 500 1HA GLY 71 1HA GLY 71 -6.176 -7.418 -17.547 501 2HA GLY 71 2HA GLY 71 -5.933 -7.399 -15.796 502 H THR 72 H THR 72 -5.096 -4.552 -15.830 503 HA THR 72 HA THR 72 -2.175 -5.034 -16.131 504 HB THR 72 HB THR 72 -1.673 -3.091 -17.615 505 HG1 THR 72 HG1 THR 72 -4.162 -3.150 -18.757 506 1HG2 THR 72 1HG2 THR 72 -2.152 -4.116 -19.800 507 2HG2 THR 72 2HG2 THR 72 -1.655 -5.390 -18.664 508 3HG2 THR 72 3HG2 THR 72 -3.374 -5.201 -19.099 509 H ILE 73 H ILE 73 -0.940 -3.385 -15.109 510 HA ILE 73 HA ILE 73 -2.489 -1.737 -13.056 511 HB ILE 73 HB ILE 73 0.415 -2.700 -13.019 512 1HG1 ILE 73 1HG1 ILE 73 -1.538 -4.398 -12.535 513 2HG1 ILE 73 2HG1 ILE 73 -1.833 -3.485 -11.070 514 1HG2 ILE 73 1HG2 ILE 73 0.632 -1.695 -10.749 515 2HG2 ILE 73 2HG2 ILE 73 0.209 -0.434 -11.915 516 3HG2 ILE 73 3HG2 ILE 73 -1.034 -1.074 -10.813 517 1HD1 ILE 73 1HD1 ILE 73 0.424 -3.979 -10.168 518 2HD1 ILE 73 2HD1 ILE 73 -0.420 -5.476 -10.617 519 3HD1 ILE 73 3HD1 ILE 73 0.863 -4.835 -11.671 520 H ASP 74 H ASP 74 -2.991 -0.277 -14.850 521 HA ASP 74 HA ASP 74 -1.000 1.333 -16.263 522 1HB ASP 74 1HB ASP 74 -3.612 2.698 -15.688 523 2HB ASP 74 2HB ASP 74 -2.716 2.546 -17.181 524 H PHE 75 H PHE 75 -1.177 3.877 -15.895 525 HA PHE 75 HA PHE 75 0.147 4.524 -13.329 526 1HB PHE 75 1HB PHE 75 -0.997 6.532 -15.362 527 2HB PHE 75 2HB PHE 75 0.523 5.709 -15.592 528 HD1 PHE 75 HD1 PHE 75 -1.222 8.351 -13.672 529 HD2 PHE 75 HD2 PHE 75 2.508 6.251 -14.123 530 HE1 PHE 75 HE1 PHE 75 -0.099 10.017 -12.252 531 HE2 PHE 75 HE2 PHE 75 3.611 7.927 -12.694 532 HZ PHE 75 HZ PHE 75 2.310 9.799 -11.745 533 H GLU 76 H GLU 76 -3.105 4.791 -14.652 534 HA GLU 76 HA GLU 76 -4.312 6.587 -12.693 535 1HB GLU 76 1HB GLU 76 -6.343 6.227 -13.688 536 2HB GLU 76 2HB GLU 76 -5.235 5.859 -14.992 537 1HG GLU 76 1HG GLU 76 -6.516 3.992 -15.302 538 2HG GLU 76 2HG GLU 76 -5.595 3.313 -13.977 539 H GLU 77 H GLU 77 -4.230 3.029 -12.903 540 HA GLU 77 HA GLU 77 -5.675 2.525 -10.366 541 1HB GLU 77 1HB GLU 77 -5.755 0.835 -12.091 542 2HB GLU 77 2HB GLU 77 -4.014 0.684 -12.141 543 1HG GLU 77 1HG GLU 77 -3.922 -0.463 -9.992 544 2HG GLU 77 2HG GLU 77 -5.571 -0.006 -9.580 545 H PHE 78 H PHE 78 -2.276 2.704 -11.326 546 HA PHE 78 HA PHE 78 -0.998 1.733 -8.905 547 1HB PHE 78 1HB PHE 78 0.059 3.883 -10.846 548 2HB PHE 78 2HB PHE 78 0.187 2.164 -11.113 549 HD1 PHE 78 HD1 PHE 78 0.660 2.067 -7.727 550 HD2 PHE 78 HD2 PHE 78 2.624 3.772 -11.155 551 HE1 PHE 78 HE1 PHE 78 2.816 1.997 -6.541 552 HE2 PHE 78 HE2 PHE 78 4.771 3.691 -9.954 553 HZ PHE 78 HZ PHE 78 4.874 2.794 -7.655 554 H LEU 79 H LEU 79 -2.438 4.819 -9.763 555 HA LEU 79 HA LEU 79 -1.345 6.432 -7.534 556 1HB LEU 79 1HB LEU 79 -3.660 6.863 -9.493 557 2HB LEU 79 2HB LEU 79 -3.413 7.963 -8.154 558 HG LEU 79 HG LEU 79 -2.319 8.286 -10.662 559 1HD1 LEU 79 1HD1 LEU 79 -0.886 10.062 -9.652 560 2HD1 LEU 79 2HD1 LEU 79 -2.489 10.048 -8.895 561 3HD1 LEU 79 3HD1 LEU 79 -1.096 9.350 -8.032 562 1HD2 LEU 79 1HD2 LEU 79 -0.029 7.067 -8.976 563 2HD2 LEU 79 2HD2 LEU 79 -0.704 6.387 -10.478 564 3HD2 LEU 79 3HD2 LEU 79 0.167 7.927 -10.524 565 H VAL 80 H VAL 80 -4.262 4.510 -8.064 566 HA VAL 80 HA VAL 80 -5.733 5.313 -5.624 567 HB VAL 80 HB VAL 80 -6.087 3.088 -7.647 568 1HG1 VAL 80 1HG1 VAL 80 -8.040 2.164 -6.382 569 2HG1 VAL 80 2HG1 VAL 80 -6.537 1.912 -5.485 570 3HG1 VAL 80 3HG1 VAL 80 -7.653 3.204 -4.987 571 1HG2 VAL 80 1HG2 VAL 80 -8.049 5.244 -6.625 572 2HG2 VAL 80 2HG2 VAL 80 -7.125 5.335 -8.143 573 3HG2 VAL 80 3HG2 VAL 80 -8.353 4.077 -7.935 574 H MET 81 H MET 81 -3.331 2.879 -6.468 575 HA MET 81 HA MET 81 -3.455 1.156 -4.086 576 1HB MET 81 1HB MET 81 -0.982 1.700 -5.832 577 2HB MET 81 2HB MET 81 -2.258 0.571 -6.250 578 1HG MET 81 1HG MET 81 -0.832 0.235 -3.560 579 2HG MET 81 2HG MET 81 -1.667 -0.983 -4.539 580 1HE MET 81 1HE MET 81 0.312 -2.664 -4.308 581 2HE MET 81 2HE MET 81 1.997 -2.336 -4.813 582 3HE MET 81 3HE MET 81 1.328 -1.528 -3.366 583 H MET 82 H MET 82 -1.152 3.755 -4.952 584 HA MET 82 HA MET 82 0.270 3.841 -2.413 585 1HB MET 82 1HB MET 82 0.729 6.369 -3.282 586 2HB MET 82 2HB MET 82 0.070 5.730 -4.775 587 1HG MET 82 1HG MET 82 2.105 4.832 -5.270 588 2HG MET 82 2HG MET 82 1.979 3.760 -3.870 589 1HE MET 82 1HE MET 82 4.310 4.859 -1.335 590 2HE MET 82 2HE MET 82 2.838 3.942 -1.773 591 3HE MET 82 3HE MET 82 2.689 5.548 -1.001 592 H VAL 83 H VAL 83 -2.668 5.413 -3.547 593 HA VAL 83 HA VAL 83 -2.888 7.468 -1.442 594 HB VAL 83 HB VAL 83 -4.569 6.586 -3.727 595 1HG1 VAL 83 1HG1 VAL 83 -6.689 7.639 -2.920 596 2HG1 VAL 83 2HG1 VAL 83 -6.286 6.222 -1.941 597 3HG1 VAL 83 3HG1 VAL 83 -5.990 7.852 -1.294 598 1HG2 VAL 83 1HG2 VAL 83 -4.128 9.368 -2.453 599 2HG2 VAL 83 2HG2 VAL 83 -3.228 8.704 -3.836 600 3HG2 VAL 83 3HG2 VAL 83 -4.957 9.044 -3.997 601 NH1 ARG 84 NH1 ARG 84 -5.567 -2.208 -2.969 602 NH2 ARG 84 NH2 ARG 84 -7.044 -2.918 -1.397 603 H ARG 84 H ARG 84 -3.991 4.144 -1.848 604 HA ARG 84 HA ARG 84 -6.048 3.842 0.136 605 1HB ARG 84 1HB ARG 84 -4.180 2.003 -1.270 606 2HB ARG 84 2HB ARG 84 -4.546 1.457 0.360 607 1HG ARG 84 1HG ARG 84 -6.770 1.009 -0.077 608 2HG ARG 84 2HG ARG 84 -6.962 2.355 -1.203 609 1HD ARG 84 1HD ARG 84 -6.453 1.079 -3.048 610 2HD ARG 84 2HD ARG 84 -5.081 0.288 -2.271 611 HE ARG 84 HE ARG 84 -7.960 -0.592 -1.681 612 1HH1 ARG 84 1HH1 ARG 84 -7.781 -2.673 -0.726 613 2HH1 ARG 84 2HH1 ARG 84 -6.668 -3.854 -1.582 614 1HH2 ARG 84 1HH2 ARG 84 -5.136 -1.415 -3.457 615 2HH2 ARG 84 2HH2 ARG 84 -5.341 -3.202 -3.091 616 H GLN 85 H GLN 85 -2.596 3.005 0.631 617 HA GLN 85 HA GLN 85 -2.765 2.618 3.521 618 1HB GLN 85 1HB GLN 85 -0.881 1.955 1.718 619 2HB GLN 85 2HB GLN 85 -0.579 2.039 3.443 620 1HG GLN 85 1HG GLN 85 0.779 3.446 1.338 621 2HG GLN 85 2HG GLN 85 -0.082 4.685 2.224 622 1HE2 GLN 85 1HE2 GLN 85 1.787 3.583 5.376 623 2HE2 GLN 85 2HE2 GLN 85 0.042 3.808 4.855 624 H MET 86 H MET 86 -2.111 5.427 1.498 625 HA MET 86 HA MET 86 -0.990 7.271 3.437 626 1HB MET 86 1HB MET 86 -2.600 8.837 1.628 627 2HB MET 86 2HB MET 86 -2.012 7.465 0.706 628 1HG MET 86 1HG MET 86 0.151 8.718 2.355 629 2HG MET 86 2HG MET 86 0.152 8.239 0.650 630 1HE MET 86 1HE MET 86 -2.674 9.764 -0.284 631 2HE MET 86 2HE MET 86 -1.991 11.274 -0.956 632 3HE MET 86 3HE MET 86 -1.216 9.706 -1.323 633 H LYS 87 H LYS 87 -4.309 6.359 2.681 634 HA LYS 87 HA LYS 87 -5.756 8.478 4.097 635 1HB LYS 87 1HB LYS 87 -6.671 6.595 2.427 636 2HB LYS 87 2HB LYS 87 -7.700 7.359 3.629 637 1HG LYS 87 1HG LYS 87 -7.652 5.464 5.108 638 2HG LYS 87 2HG LYS 87 -6.283 4.722 4.297 639 1HD LYS 87 1HD LYS 87 -7.625 3.987 2.438 640 2HD LYS 87 2HD LYS 87 -8.562 3.657 3.891 641 1HE LYS 87 1HE LYS 87 -9.649 6.103 3.363 642 2HE LYS 87 2HE LYS 87 -9.105 5.738 1.720 643 1HZ LYS 87 1HZ LYS 87 -11.412 4.863 2.802 644 2HZ LYS 87 2HZ LYS 87 -10.462 3.527 3.005 645 3HZ LYS 87 3HZ LYS 87 -10.676 4.166 1.497 646 H GLU 88 H GLU 88 -4.637 5.245 5.086 647 HA GLU 88 HA GLU 88 -5.398 5.835 7.992 648 1HB GLU 88 1HB GLU 88 -4.815 3.212 8.146 649 2HB GLU 88 2HB GLU 88 -5.184 3.245 6.433 650 1HG GLU 88 1HG GLU 88 -7.467 4.341 7.059 651 2HG GLU 88 2HG GLU 88 -7.244 2.649 7.469 652 H ASP 89 H ASP 89 -3.044 3.444 6.984 653 HA ASP 89 HA ASP 89 -0.510 4.747 7.222 654 1HB ASP 89 1HB ASP 89 -0.756 5.701 9.317 655 2HB ASP 89 2HB ASP 89 -1.838 4.462 9.909 656 H ALA 90 H ALA 90 -2.236 2.043 8.800 657 HA ALA 90 HA ALA 90 -1.340 -0.138 7.133 658 1HB ALA 90 1HB ALA 90 0.552 -1.137 8.443 659 2HB ALA 90 2HB ALA 90 1.004 0.454 7.801 660 3HB ALA 90 3HB ALA 90 0.590 0.279 9.524 Start of MODEL 40 Raw file had 660 H/Q atoms Start of MODEL 40 1 1H ALA 1 1H ALA 1 -19.955 8.839 -22.630 2 2H ALA 1 2H ALA 1 -19.211 7.330 -22.627 3 3H ALA 1 3H ALA 1 -20.889 7.441 -22.684 4 HA ALA 1 HA ALA 1 -19.037 7.833 -20.458 5 1HB ALA 1 1HB ALA 1 -20.022 9.969 -20.280 6 2HB ALA 1 2HB ALA 1 -21.122 9.009 -19.273 7 3HB ALA 1 3HB ALA 1 -21.595 9.453 -20.933 8 H SER 2 H SER 2 -19.059 5.680 -20.062 9 HA SER 2 HA SER 2 -21.629 4.364 -19.120 10 1HB SER 2 1HB SER 2 -21.202 2.311 -20.541 11 2HB SER 2 2HB SER 2 -21.727 3.741 -21.435 12 HG SER 2 HG SER 2 -19.775 2.382 -22.079 13 H MET 3 H MET 3 -19.935 5.087 -17.342 14 HA MET 3 HA MET 3 -18.690 4.299 -15.440 15 1HB MET 3 1HB MET 3 -18.416 1.492 -16.501 16 2HB MET 3 2HB MET 3 -18.787 2.055 -14.881 17 1HG MET 3 1HG MET 3 -21.105 2.849 -16.214 18 2HG MET 3 2HG MET 3 -20.642 1.433 -17.167 19 1HE MET 3 1HE MET 3 -23.564 0.967 -15.114 20 2HE MET 3 2HE MET 3 -22.964 -0.699 -15.364 21 3HE MET 3 3HE MET 3 -22.779 0.517 -16.661 22 H THR 4 H THR 4 -16.896 5.493 -15.914 23 HA THR 4 HA THR 4 -14.447 4.048 -16.809 24 HB THR 4 HB THR 4 -14.675 6.475 -18.477 25 HG1 THR 4 HG1 THR 4 -16.008 4.365 -19.566 26 1HG2 THR 4 1HG2 THR 4 -14.042 4.678 -20.310 27 2HG2 THR 4 2HG2 THR 4 -13.657 3.623 -18.932 28 3HG2 THR 4 3HG2 THR 4 -12.799 5.172 -19.141 29 H ASP 5 H ASP 5 -15.492 5.425 -14.457 30 HA ASP 5 HA ASP 5 -13.782 7.875 -14.066 31 1HB ASP 5 1HB ASP 5 -15.044 6.730 -11.620 32 2HB ASP 5 2HB ASP 5 -15.021 8.371 -12.227 33 H GLN 6 H GLN 6 -12.626 5.129 -14.595 34 HA GLN 6 HA GLN 6 -11.037 4.489 -12.099 35 1HB GLN 6 1HB GLN 6 -10.271 3.214 -14.713 36 2HB GLN 6 2HB GLN 6 -11.922 2.921 -14.200 37 1HG GLN 6 1HG GLN 6 -11.247 1.328 -12.750 38 2HG GLN 6 2HG GLN 6 -10.283 2.483 -11.857 39 1HE2 GLN 6 1HE2 GLN 6 -7.219 1.021 -12.953 40 2HE2 GLN 6 2HE2 GLN 6 -8.079 2.270 -11.920 41 H GLN 7 H GLN 7 -10.677 7.104 -12.822 42 HA GLN 7 HA GLN 7 -7.760 7.388 -13.311 43 1HB GLN 7 1HB GLN 7 -8.151 8.920 -15.432 44 2HB GLN 7 2HB GLN 7 -7.968 7.180 -15.606 45 1HG GLN 7 1HG GLN 7 -10.234 6.799 -16.148 46 2HG GLN 7 2HG GLN 7 -10.807 8.269 -15.374 47 1HE2 GLN 7 1HE2 GLN 7 -8.863 8.779 -19.048 48 2HE2 GLN 7 2HE2 GLN 7 -8.197 7.618 -17.793 49 H ALA 8 H ALA 8 -10.931 9.010 -13.637 50 HA ALA 8 HA ALA 8 -10.358 11.719 -13.094 51 1HB ALA 8 1HB ALA 8 -12.650 11.924 -12.142 52 2HB ALA 8 2HB ALA 8 -12.641 10.908 -13.596 53 3HB ALA 8 3HB ALA 8 -12.778 10.156 -11.987 54 H GLU 9 H GLU 9 -10.973 9.186 -10.644 55 HA GLU 9 HA GLU 9 -10.694 10.782 -8.243 56 1HB GLU 9 1HB GLU 9 -9.683 8.026 -7.820 57 2HB GLU 9 2HB GLU 9 -11.015 8.886 -7.062 58 1HG GLU 9 1HG GLU 9 -12.256 8.417 -9.448 59 2HG GLU 9 2HG GLU 9 -11.095 7.096 -9.522 60 H ALA 10 H ALA 10 -8.278 8.998 -10.138 61 HA ALA 10 HA ALA 10 -6.017 9.438 -8.257 62 1HB ALA 10 1HB ALA 10 -4.629 8.377 -10.030 63 2HB ALA 10 2HB ALA 10 -6.101 7.437 -9.720 64 3HB ALA 10 3HB ALA 10 -5.984 8.449 -11.183 65 NH1 ARG 11 NH1 ARG 11 -4.151 15.762 -16.399 66 NH2 ARG 11 NH2 ARG 11 -2.698 14.036 -16.656 67 H ARG 11 H ARG 11 -7.471 11.262 -10.824 68 HA ARG 11 HA ARG 11 -5.059 12.826 -11.699 69 1HB ARG 11 1HB ARG 11 -7.980 12.730 -12.454 70 2HB ARG 11 2HB ARG 11 -7.210 14.304 -12.593 71 1HG ARG 11 1HG ARG 11 -5.574 12.079 -13.764 72 2HG ARG 11 2HG ARG 11 -7.132 12.327 -14.556 73 1HD ARG 11 1HD ARG 11 -6.624 14.565 -15.216 74 2HD ARG 11 2HD ARG 11 -5.379 14.779 -13.984 75 HE ARG 11 HE ARG 11 -4.717 12.668 -16.023 76 1HH1 ARG 11 1HH1 ARG 11 -5.079 16.076 -16.093 77 2HH1 ARG 11 2HH1 ARG 11 -3.409 16.343 -16.805 78 1HH2 ARG 11 1HH2 ARG 11 -2.519 13.031 -16.554 79 2HH2 ARG 11 2HH2 ARG 11 -2.058 14.738 -17.044 80 H ALA 12 H ALA 12 -7.851 13.239 -9.556 81 HA ALA 12 HA ALA 12 -7.385 16.116 -8.926 82 1HB ALA 12 1HB ALA 12 -9.181 15.815 -7.231 83 2HB ALA 12 2HB ALA 12 -9.664 15.155 -8.806 84 3HB ALA 12 3HB ALA 12 -9.176 14.054 -7.494 85 H PHE 13 H PHE 13 -6.548 12.985 -7.514 86 HA PHE 13 HA PHE 13 -5.476 14.020 -4.960 87 1HB PHE 13 1HB PHE 13 -6.426 11.712 -5.295 88 2HB PHE 13 2HB PHE 13 -5.052 11.270 -6.274 89 HD1 PHE 13 HD1 PHE 13 -3.617 13.411 -3.880 90 HD2 PHE 13 HD2 PHE 13 -5.401 9.502 -4.127 91 HE1 PHE 13 HE1 PHE 13 -2.457 12.739 -1.816 92 HE2 PHE 13 HE2 PHE 13 -4.236 8.851 -2.061 93 HZ PHE 13 HZ PHE 13 -2.766 10.463 -0.902 94 H LEU 14 H LEU 14 -4.151 13.103 -8.109 95 HA LEU 14 HA LEU 14 -1.328 13.998 -7.280 96 1HB LEU 14 1HB LEU 14 -1.733 12.158 -9.657 97 2HB LEU 14 2HB LEU 14 -0.331 12.357 -8.629 98 HG LEU 14 HG LEU 14 -2.765 11.180 -7.272 99 1HD1 LEU 14 1HD1 LEU 14 -2.394 8.906 -8.233 100 2HD1 LEU 14 2HD1 LEU 14 -2.885 10.048 -9.497 101 3HD1 LEU 14 3HD1 LEU 14 -1.179 9.552 -9.365 102 1HD2 LEU 14 1HD2 LEU 14 0.232 10.408 -7.235 103 2HD2 LEU 14 2HD2 LEU 14 -0.616 11.380 -6.007 104 3HD2 LEU 14 3HD2 LEU 14 -1.042 9.676 -6.226 105 H SER 15 H SER 15 -1.029 15.947 -8.024 106 HA SER 15 HA SER 15 -2.439 17.291 -10.203 107 1HB SER 15 1HB SER 15 -0.951 18.219 -8.166 108 2HB SER 15 2HB SER 15 0.320 18.243 -9.391 109 HG SER 15 HG SER 15 -1.992 19.727 -9.171 110 H GLU 16 H GLU 16 -0.740 18.446 -11.870 111 HA GLU 16 HA GLU 16 -0.016 16.288 -13.808 112 1HB GLU 16 1HB GLU 16 -0.083 19.328 -13.968 113 2HB GLU 16 2HB GLU 16 -1.117 18.162 -14.769 114 1HG GLU 16 1HG GLU 16 1.105 17.407 -16.045 115 2HG GLU 16 2HG GLU 16 0.238 18.848 -16.550 116 H GLU 17 H GLU 17 1.599 18.592 -11.707 117 HA GLU 17 HA GLU 17 4.326 18.369 -12.842 118 1HB GLU 17 1HB GLU 17 4.229 19.085 -9.952 119 2HB GLU 17 2HB GLU 17 3.165 20.058 -10.949 120 1HG GLU 17 1HG GLU 17 5.332 20.379 -12.502 121 2HG GLU 17 2HG GLU 17 5.112 21.341 -11.051 122 H MET 18 H MET 18 2.551 16.747 -10.238 123 HA MET 18 HA MET 18 4.840 15.077 -9.265 124 1HB MET 18 1HB MET 18 3.524 14.809 -7.468 125 2HB MET 18 2HB MET 18 2.251 15.724 -8.255 126 1HG MET 18 1HG MET 18 2.495 12.732 -8.865 127 2HG MET 18 2HG MET 18 1.069 13.778 -8.967 128 1HE MET 18 1HE MET 18 -0.057 14.983 -6.739 129 2HE MET 18 2HE MET 18 0.467 14.603 -5.072 130 3HE MET 18 3HE MET 18 1.553 15.517 -6.161 131 H ILE 19 H ILE 19 2.112 14.783 -11.484 132 HA ILE 19 HA ILE 19 2.100 11.914 -11.948 133 HB ILE 19 HB ILE 19 0.791 14.215 -13.130 134 1HG1 ILE 19 1HG1 ILE 19 -0.711 12.066 -13.985 135 2HG1 ILE 19 2HG1 ILE 19 0.233 11.255 -12.754 136 1HG2 ILE 19 1HG2 ILE 19 0.520 13.462 -15.506 137 2HG2 ILE 19 2HG2 ILE 19 2.209 13.845 -15.180 138 3HG2 ILE 19 3HG2 ILE 19 1.691 12.145 -15.247 139 1HD1 ILE 19 1HD1 ILE 19 -1.581 13.682 -12.221 140 2HD1 ILE 19 2HD1 ILE 19 -1.853 11.994 -11.743 141 3HD1 ILE 19 3HD1 ILE 19 -0.523 12.916 -11.005 142 H ALA 20 H ALA 20 4.020 14.568 -13.282 143 HA ALA 20 HA ALA 20 5.330 13.259 -15.498 144 1HB ALA 20 1HB ALA 20 7.062 15.042 -15.315 145 2HB ALA 20 2HB ALA 20 5.425 15.708 -15.158 146 3HB ALA 20 3HB ALA 20 6.449 15.513 -13.713 147 H GLU 21 H GLU 21 6.209 13.428 -12.054 148 HA GLU 21 HA GLU 21 8.887 12.325 -12.148 149 1HB GLU 21 1HB GLU 21 8.387 13.339 -10.122 150 2HB GLU 21 2HB GLU 21 6.805 12.600 -9.974 151 1HG GLU 21 1HG GLU 21 9.536 11.291 -9.417 152 2HG GLU 21 2HG GLU 21 8.073 10.332 -9.560 153 H PHE 22 H PHE 22 5.697 10.827 -12.090 154 HA PHE 22 HA PHE 22 6.641 8.013 -11.747 155 1HB PHE 22 1HB PHE 22 3.876 9.087 -12.583 156 2HB PHE 22 2HB PHE 22 4.244 7.405 -12.313 157 HD1 PHE 22 HD1 PHE 22 3.919 6.450 -10.167 158 HD2 PHE 22 HD2 PHE 22 4.471 10.709 -10.459 159 HE1 PHE 22 HE1 PHE 22 3.489 6.682 -7.757 160 HE2 PHE 22 HE2 PHE 22 4.038 10.919 -8.045 161 HZ PHE 22 HZ PHE 22 3.579 8.908 -6.685 162 H LYS 23 H LYS 23 5.757 10.181 -14.380 163 HA LYS 23 HA LYS 23 5.494 8.420 -16.644 164 1HB LYS 23 1HB LYS 23 5.746 11.249 -16.295 165 2HB LYS 23 2HB LYS 23 7.060 10.822 -17.369 166 1HG LYS 23 1HG LYS 23 4.619 9.481 -18.300 167 2HG LYS 23 2HG LYS 23 5.689 10.595 -19.135 168 1HD LYS 23 1HD LYS 23 3.526 11.562 -17.168 169 2HD LYS 23 2HD LYS 23 3.222 11.350 -18.896 170 1HE LYS 23 1HE LYS 23 3.776 13.672 -18.729 171 2HE LYS 23 2HE LYS 23 5.048 13.401 -17.530 172 1HZ LYS 23 1HZ LYS 23 6.505 12.635 -19.175 173 2HZ LYS 23 2HZ LYS 23 5.725 13.875 -19.938 174 3HZ LYS 23 3HZ LYS 23 5.316 12.310 -20.274 175 H ALA 24 H ALA 24 8.422 9.832 -15.187 176 HA ALA 24 HA ALA 24 10.415 8.983 -17.105 177 1HB ALA 24 1HB ALA 24 12.076 9.299 -15.282 178 2HB ALA 24 2HB ALA 24 10.908 10.633 -15.326 179 3HB ALA 24 3HB ALA 24 10.776 9.377 -14.069 180 H ALA 25 H ALA 25 9.410 7.415 -14.046 181 HA ALA 25 HA ALA 25 11.092 4.986 -14.446 182 1HB ALA 25 1HB ALA 25 10.067 4.200 -12.320 183 2HB ALA 25 2HB ALA 25 10.647 5.870 -12.170 184 3HB ALA 25 3HB ALA 25 8.903 5.547 -12.341 185 H PHE 26 H PHE 26 8.023 5.971 -15.593 186 HA PHE 26 HA PHE 26 6.526 3.413 -15.477 187 1HB PHE 26 1HB PHE 26 5.149 5.340 -15.628 188 2HB PHE 26 2HB PHE 26 6.058 6.056 -16.932 189 HD1 PHE 26 HD1 PHE 26 5.071 5.926 -19.110 190 HD2 PHE 26 HD2 PHE 26 4.079 2.872 -16.247 191 HE1 PHE 26 HE1 PHE 26 3.372 5.022 -20.646 192 HE2 PHE 26 HE2 PHE 26 2.384 1.983 -17.796 193 HZ PHE 26 HZ PHE 26 2.051 3.034 -20.007 194 H ASP 27 H ASP 27 8.655 5.027 -17.788 195 HA ASP 27 HA ASP 27 8.229 3.197 -20.063 196 1HB ASP 27 1HB ASP 27 10.714 4.946 -19.632 197 2HB ASP 27 2HB ASP 27 9.187 5.578 -20.205 198 H MET 28 H MET 28 10.396 3.280 -17.296 199 HA MET 28 HA MET 28 12.299 1.158 -18.085 200 1HB MET 28 1HB MET 28 11.586 2.462 -15.443 201 2HB MET 28 2HB MET 28 13.123 2.380 -16.285 202 1HG MET 28 1HG MET 28 11.830 0.215 -14.542 203 2HG MET 28 2HG MET 28 13.096 -0.208 -15.707 204 1HE MET 28 1HE MET 28 12.235 2.554 -12.899 205 2HE MET 28 2HE MET 28 13.868 3.240 -12.645 206 3HE MET 28 3HE MET 28 13.050 3.447 -14.222 207 H PHE 29 H PHE 29 9.494 1.100 -15.861 208 HA PHE 29 HA PHE 29 9.208 -1.722 -15.470 209 1HB PHE 29 1HB PHE 29 7.805 0.336 -14.482 210 2HB PHE 29 2HB PHE 29 6.695 -0.015 -15.779 211 HD1 PHE 29 HD1 PHE 29 5.276 -0.320 -13.494 212 HD2 PHE 29 HD2 PHE 29 8.232 -3.127 -14.877 213 HE1 PHE 29 HE1 PHE 29 4.214 -2.107 -12.175 214 HE2 PHE 29 HE2 PHE 29 7.159 -4.896 -13.545 215 HZ PHE 29 HZ PHE 29 5.140 -4.398 -12.214 216 H ASP 30 H ASP 30 8.162 0.329 -18.150 217 HA ASP 30 HA ASP 30 6.668 -1.825 -19.595 218 1HB ASP 30 1HB ASP 30 6.194 0.766 -19.682 219 2HB ASP 30 2HB ASP 30 7.484 0.833 -20.860 220 H ALA 31 H ALA 31 7.258 -2.520 -21.749 221 HA ALA 31 HA ALA 31 10.289 -2.747 -22.205 222 1HB ALA 31 1HB ALA 31 9.890 -5.062 -23.050 223 2HB ALA 31 2HB ALA 31 9.364 -4.877 -21.365 224 3HB ALA 31 3HB ALA 31 8.155 -4.931 -22.674 225 H ASP 32 H ASP 32 7.062 -2.763 -23.705 226 HA ASP 32 HA ASP 32 8.172 -2.206 -26.466 227 1HB ASP 32 1HB ASP 32 6.163 -2.855 -27.384 228 2HB ASP 32 2HB ASP 32 5.193 -2.194 -26.087 229 H GLY 33 H GLY 33 8.930 -0.226 -24.904 230 1HA GLY 33 1HA GLY 33 9.092 2.204 -25.435 231 2HA GLY 33 2HA GLY 33 7.480 2.125 -26.110 232 H GLY 34 H GLY 34 5.835 2.842 -24.887 233 1HA GLY 34 1HA GLY 34 5.732 2.886 -21.913 234 2HA GLY 34 2HA GLY 34 6.193 4.475 -22.538 235 H GLY 35 H GLY 35 4.019 2.090 -24.020 236 1HA GLY 35 1HA GLY 35 1.779 4.157 -24.194 237 2HA GLY 35 2HA GLY 35 1.872 2.665 -25.139 238 H ASP 36 H ASP 36 2.281 0.714 -23.360 239 HA ASP 36 HA ASP 36 0.642 0.878 -20.882 240 1HB ASP 36 1HB ASP 36 -1.392 0.312 -21.620 241 2HB ASP 36 2HB ASP 36 -0.760 -1.254 -22.075 242 H ILE 37 H ILE 37 0.994 -0.860 -19.554 243 HA ILE 37 HA ILE 37 3.423 -2.547 -20.273 244 HB ILE 37 HB ILE 37 2.319 -2.290 -17.457 245 1HG1 ILE 37 1HG1 ILE 37 4.512 -0.439 -18.580 246 2HG1 ILE 37 2HG1 ILE 37 2.847 0.054 -18.337 247 1HG2 ILE 37 1HG2 ILE 37 4.557 -3.032 -16.740 248 2HG2 ILE 37 2HG2 ILE 37 3.896 -4.176 -17.917 249 3HG2 ILE 37 3HG2 ILE 37 5.150 -3.017 -18.419 250 1HD1 ILE 37 1HD1 ILE 37 4.755 -0.803 -16.079 251 2HD1 ILE 37 2HD1 ILE 37 4.163 0.834 -16.438 252 3HD1 ILE 37 3HD1 ILE 37 3.030 -0.407 -15.855 253 H SER 38 H SER 38 3.155 -4.529 -20.882 254 HA SER 38 HA SER 38 0.611 -6.077 -20.480 255 1HB SER 38 1HB SER 38 3.198 -6.562 -21.988 256 2HB SER 38 2HB SER 38 2.187 -7.950 -21.575 257 HG SER 38 HG SER 38 1.226 -5.586 -22.819 258 H THR 39 H THR 39 0.974 -8.432 -19.746 259 HA THR 39 HA THR 39 1.779 -8.426 -16.894 260 HB THR 39 HB THR 39 1.414 -11.076 -17.282 261 HG1 THR 39 HG1 THR 39 0.212 -11.518 -18.937 262 1HG2 THR 39 1HG2 THR 39 -0.952 -10.833 -16.671 263 2HG2 THR 39 2HG2 THR 39 -0.006 -9.623 -15.773 264 3HG2 THR 39 3HG2 THR 39 -0.975 -9.132 -17.187 265 H LYS 40 H LYS 40 3.209 -9.487 -19.926 266 HA LYS 40 HA LYS 40 5.333 -11.189 -19.152 267 1HB LYS 40 1HB LYS 40 5.475 -8.977 -21.267 268 2HB LYS 40 2HB LYS 40 4.754 -10.542 -21.530 269 1HG LYS 40 1HG LYS 40 7.270 -11.346 -20.781 270 2HG LYS 40 2HG LYS 40 7.678 -9.706 -21.210 271 1HD LYS 40 1HD LYS 40 8.125 -10.638 -23.285 272 2HD LYS 40 2HD LYS 40 7.166 -12.040 -22.912 273 1HE LYS 40 1HE LYS 40 5.114 -10.245 -23.317 274 2HE LYS 40 2HE LYS 40 6.304 -9.608 -24.443 275 1HZ LYS 40 1HZ LYS 40 4.739 -12.002 -24.606 276 2HZ LYS 40 2HZ LYS 40 6.337 -12.337 -24.860 277 3HZ LYS 40 3HZ LYS 40 5.567 -11.218 -25.801 278 H GLU 41 H GLU 41 5.763 -7.663 -19.661 279 HA GLU 41 HA GLU 41 8.364 -7.545 -18.253 280 1HB GLU 41 1HB GLU 41 8.588 -5.402 -18.983 281 2HB GLU 41 2HB GLU 41 6.923 -4.966 -18.665 282 1HG GLU 41 1HG GLU 41 8.075 -5.407 -21.200 283 2HG GLU 41 2HG GLU 41 7.197 -6.897 -20.928 284 H LEU 42 H LEU 42 5.011 -6.942 -17.388 285 HA LEU 42 HA LEU 42 5.212 -5.294 -15.050 286 1HB LEU 42 1HB LEU 42 3.037 -5.906 -16.063 287 2HB LEU 42 2HB LEU 42 3.235 -7.583 -15.604 288 HG LEU 42 HG LEU 42 3.304 -6.677 -13.104 289 1HD1 LEU 42 1HD1 LEU 42 1.985 -4.573 -12.747 290 2HD1 LEU 42 2HD1 LEU 42 3.488 -4.250 -13.625 291 3HD1 LEU 42 3HD1 LEU 42 1.940 -4.286 -14.505 292 1HD2 LEU 42 1HD2 LEU 42 0.654 -6.653 -14.703 293 2HD2 LEU 42 2HD2 LEU 42 1.436 -8.089 -13.998 294 3HD2 LEU 42 3HD2 LEU 42 0.809 -6.817 -12.934 295 H GLY 43 H GLY 43 5.834 -8.739 -15.462 296 1HA GLY 43 1HA GLY 43 6.236 -10.488 -13.766 297 2HA GLY 43 2HA GLY 43 6.149 -9.253 -12.507 298 H THR 44 H THR 44 8.146 -8.726 -15.323 299 HA THR 44 HA THR 44 10.620 -9.983 -14.390 300 HB THR 44 HB THR 44 10.562 -7.672 -16.383 301 HG1 THR 44 HG1 THR 44 9.462 -10.172 -16.518 302 1HG2 THR 44 1HG2 THR 44 12.424 -8.923 -17.489 303 2HG2 THR 44 2HG2 THR 44 12.857 -8.463 -15.829 304 3HG2 THR 44 3HG2 THR 44 12.392 -10.145 -16.193 305 H VAL 45 H VAL 45 9.795 -6.512 -14.651 306 HA VAL 45 HA VAL 45 12.097 -5.366 -13.422 307 HB VAL 45 HB VAL 45 9.394 -4.390 -14.046 308 1HG1 VAL 45 1HG1 VAL 45 9.374 -2.396 -12.543 309 2HG1 VAL 45 2HG1 VAL 45 9.237 -3.882 -11.596 310 3HG1 VAL 45 3HG1 VAL 45 10.789 -3.018 -11.655 311 1HG2 VAL 45 1HG2 VAL 45 12.118 -2.930 -13.960 312 2HG2 VAL 45 2HG2 VAL 45 11.408 -3.723 -15.385 313 3HG2 VAL 45 3HG2 VAL 45 10.617 -2.302 -14.688 314 H MET 46 H MET 46 9.095 -6.521 -11.879 315 HA MET 46 HA MET 46 9.675 -5.681 -9.142 316 1HB MET 46 1HB MET 46 8.044 -7.900 -8.751 317 2HB MET 46 2HB MET 46 7.673 -7.506 -10.420 318 1HG MET 46 1HG MET 46 6.223 -5.911 -9.688 319 2HG MET 46 2HG MET 46 7.592 -4.977 -9.062 320 1HE MET 46 1HE MET 46 6.460 -3.876 -6.995 321 2HE MET 46 2HE MET 46 6.684 -4.751 -5.451 322 3HE MET 46 3HE MET 46 8.070 -4.530 -6.559 323 NH1 ARG 47 NH1 ARG 47 7.745 -13.405 -7.344 324 NH2 ARG 47 NH2 ARG 47 8.859 -13.660 -5.379 325 H ARG 47 H ARG 47 9.993 -8.894 -10.692 326 HA ARG 47 HA ARG 47 11.481 -10.035 -8.329 327 1HB ARG 47 1HB ARG 47 11.506 -12.162 -9.791 328 2HB ARG 47 2HB ARG 47 10.566 -11.270 -10.980 329 1HG ARG 47 1HG ARG 47 8.607 -11.498 -9.832 330 2HG ARG 47 2HG ARG 47 9.450 -12.781 -8.965 331 1HD ARG 47 1HD ARG 47 10.004 -10.099 -7.756 332 2HD ARG 47 2HD ARG 47 8.285 -10.456 -7.821 333 HE ARG 47 HE ARG 47 10.038 -11.636 -5.895 334 1HH1 ARG 47 1HH1 ARG 47 7.602 -12.844 -8.191 335 2HH1 ARG 47 2HH1 ARG 47 7.261 -14.274 -7.093 336 1HH2 ARG 47 1HH2 ARG 47 9.564 -13.298 -4.727 337 2HH2 ARG 47 2HH2 ARG 47 8.295 -14.509 -5.265 338 H MET 48 H MET 48 12.544 -7.971 -10.515 339 HA MET 48 HA MET 48 14.800 -9.132 -11.968 340 1HB MET 48 1HB MET 48 14.082 -6.340 -11.112 341 2HB MET 48 2HB MET 48 15.799 -6.639 -11.309 342 1HG MET 48 1HG MET 48 14.488 -7.790 -13.642 343 2HG MET 48 2HG MET 48 13.816 -6.172 -13.381 344 1HE MET 48 1HE MET 48 16.566 -5.067 -11.614 345 2HE MET 48 2HE MET 48 17.340 -4.132 -12.927 346 3HE MET 48 3HE MET 48 15.576 -4.010 -12.667 347 H LEU 49 H LEU 49 14.320 -8.135 -8.623 348 HA LEU 49 HA LEU 49 17.142 -8.998 -7.832 349 1HB LEU 49 1HB LEU 49 16.994 -7.097 -6.615 350 2HB LEU 49 2HB LEU 49 16.069 -8.065 -5.489 351 HG LEU 49 HG LEU 49 13.968 -7.233 -6.995 352 1HD1 LEU 49 1HD1 LEU 49 15.947 -4.896 -7.353 353 2HD1 LEU 49 2HD1 LEU 49 15.472 -6.009 -8.649 354 3HD1 LEU 49 3HD1 LEU 49 14.250 -4.956 -7.894 355 1HD2 LEU 49 1HD2 LEU 49 13.537 -5.458 -5.347 356 2HD2 LEU 49 2HD2 LEU 49 14.369 -6.780 -4.491 357 3HD2 LEU 49 3HD2 LEU 49 15.268 -5.325 -4.946 358 H GLY 50 H GLY 50 16.470 -11.212 -8.336 359 1HA GLY 50 1HA GLY 50 14.622 -12.654 -6.407 360 2HA GLY 50 2HA GLY 50 16.343 -12.902 -6.109 361 H GLN 51 H GLN 51 13.830 -13.233 -8.572 362 HA GLN 51 HA GLN 51 15.413 -15.316 -10.150 363 1HB GLN 51 1HB GLN 51 13.937 -17.126 -9.762 364 2HB GLN 51 2HB GLN 51 14.315 -16.476 -8.179 365 1HG GLN 51 1HG GLN 51 12.007 -15.081 -8.594 366 2HG GLN 51 2HG GLN 51 11.676 -16.407 -9.687 367 1HE2 GLN 51 1HE2 GLN 51 10.269 -17.502 -6.417 368 2HE2 GLN 51 2HE2 GLN 51 9.906 -16.440 -7.868 369 H ASN 52 H ASN 52 13.252 -16.323 -11.549 370 HA ASN 52 HA ASN 52 11.832 -13.920 -12.757 371 1HB ASN 52 1HB ASN 52 13.028 -16.146 -14.495 372 2HB ASN 52 2HB ASN 52 13.877 -14.602 -14.137 373 1HD2 ASN 52 1HD2 ASN 52 10.531 -13.466 -16.069 374 2HD2 ASN 52 2HD2 ASN 52 10.695 -13.844 -14.275 375 HA PRO 53 HA PRO 53 8.552 -17.232 -11.534 376 1HB PRO 53 1HB PRO 53 6.843 -14.773 -12.085 377 2HB PRO 53 2HB PRO 53 6.796 -15.959 -10.772 378 1HG PRO 53 1HG PRO 53 7.883 -13.470 -10.409 379 2HG PRO 53 2HG PRO 53 8.450 -14.876 -9.478 380 1HD PRO 53 1HD PRO 53 10.548 -14.378 -10.523 381 2HD PRO 53 2HD PRO 53 9.775 -13.440 -11.834 382 H THR 54 H THR 54 6.642 -17.917 -12.822 383 HA THR 54 HA THR 54 7.306 -18.039 -15.763 384 HB THR 54 HB THR 54 6.401 -19.998 -14.113 385 HG1 THR 54 HG1 THR 54 7.140 -19.874 -16.408 386 1HG2 THR 54 1HG2 THR 54 4.083 -20.642 -14.687 387 2HG2 THR 54 2HG2 THR 54 4.080 -19.076 -13.845 388 3HG2 THR 54 3HG2 THR 54 3.847 -19.139 -15.611 389 H LYS 55 H LYS 55 5.593 -17.710 -17.351 390 HA LYS 55 HA LYS 55 4.471 -14.984 -17.070 391 1HB LYS 55 1HB LYS 55 4.906 -16.930 -19.277 392 2HB LYS 55 2HB LYS 55 5.032 -15.183 -19.279 393 1HG LYS 55 1HG LYS 55 2.227 -15.709 -19.145 394 2HG LYS 55 2HG LYS 55 3.135 -15.025 -20.482 395 1HD LYS 55 1HD LYS 55 3.644 -17.507 -21.218 396 2HD LYS 55 2HD LYS 55 2.019 -16.883 -21.454 397 1HE LYS 55 1HE LYS 55 2.981 -18.970 -19.481 398 2HE LYS 55 2HE LYS 55 1.615 -17.978 -18.978 399 1HZ LYS 55 1HZ LYS 55 1.491 -19.164 -21.669 400 2HZ LYS 55 2HZ LYS 55 0.279 -18.922 -20.573 401 3HZ LYS 55 3HZ LYS 55 1.323 -20.188 -20.383 402 H GLU 56 H GLU 56 3.225 -18.280 -17.037 403 HA GLU 56 HA GLU 56 0.387 -17.810 -17.336 404 1HB GLU 56 1HB GLU 56 2.005 -20.065 -16.122 405 2HB GLU 56 2HB GLU 56 0.278 -20.037 -15.825 406 1HG GLU 56 1HG GLU 56 1.751 -20.355 -18.493 407 2HG GLU 56 2HG GLU 56 0.096 -19.769 -18.497 408 H GLU 57 H GLU 57 2.410 -18.018 -14.402 409 HA GLU 57 HA GLU 57 0.215 -17.585 -12.461 410 1HB GLU 57 1HB GLU 57 3.236 -17.659 -12.204 411 2HB GLU 57 2HB GLU 57 2.039 -18.793 -11.615 412 1HG GLU 57 1HG GLU 57 1.268 -16.707 -10.054 413 2HG GLU 57 2HG GLU 57 2.567 -17.795 -9.583 414 H LEU 58 H LEU 58 2.564 -15.541 -14.122 415 HA LEU 58 HA LEU 58 2.219 -13.038 -12.721 416 1HB LEU 58 1HB LEU 58 3.576 -13.967 -15.073 417 2HB LEU 58 2HB LEU 58 2.600 -12.610 -15.598 418 HG LEU 58 HG LEU 58 5.060 -12.187 -14.785 419 1HD1 LEU 58 1HD1 LEU 58 4.500 -9.938 -13.783 420 2HD1 LEU 58 2HD1 LEU 58 3.524 -10.260 -15.223 421 3HD1 LEU 58 3HD1 LEU 58 2.797 -10.431 -13.607 422 1HD2 LEU 58 1HD2 LEU 58 3.715 -12.400 -12.013 423 2HD2 LEU 58 2HD2 LEU 58 4.940 -13.513 -12.672 424 3HD2 LEU 58 3HD2 LEU 58 5.372 -11.827 -12.335 425 H ASP 59 H ASP 59 0.339 -14.622 -15.249 426 HA ASP 59 HA ASP 59 -1.433 -12.404 -15.984 427 1HB ASP 59 1HB ASP 59 -1.938 -15.420 -16.294 428 2HB ASP 59 2HB ASP 59 -1.111 -14.396 -17.445 429 H ALA 60 H ALA 60 -1.498 -14.858 -13.465 430 HA ALA 60 HA ALA 60 -4.238 -14.485 -12.488 431 1HB ALA 60 1HB ALA 60 -3.460 -15.672 -10.442 432 2HB ALA 60 2HB ALA 60 -2.909 -16.492 -11.916 433 3HB ALA 60 3HB ALA 60 -1.764 -15.519 -10.959 434 H ILE 61 H ILE 61 -1.147 -12.924 -11.775 435 HA ILE 61 HA ILE 61 -1.880 -11.473 -9.344 436 HB ILE 61 HB ILE 61 0.413 -11.419 -11.229 437 1HG1 ILE 61 1HG1 ILE 61 1.378 -12.275 -9.358 438 2HG1 ILE 61 2HG1 ILE 61 -0.086 -12.004 -8.438 439 1HG2 ILE 61 1HG2 ILE 61 1.320 -9.189 -10.515 440 2HG2 ILE 61 2HG2 ILE 61 -0.179 -8.987 -11.419 441 3HG2 ILE 61 3HG2 ILE 61 -0.193 -8.831 -9.647 442 1HD1 ILE 61 1HD1 ILE 61 0.634 -9.737 -7.734 443 2HD1 ILE 61 2HD1 ILE 61 1.881 -10.941 -7.347 444 3HD1 ILE 61 3HD1 ILE 61 2.099 -9.864 -8.746 445 H ILE 62 H ILE 62 -1.960 -10.624 -12.802 446 HA ILE 62 HA ILE 62 -2.954 -7.855 -12.444 447 HB ILE 62 HB ILE 62 -2.724 -9.660 -14.889 448 1HG1 ILE 62 1HG1 ILE 62 -0.562 -8.820 -14.439 449 2HG1 ILE 62 2HG1 ILE 62 -1.147 -7.320 -13.751 450 1HG2 ILE 62 1HG2 ILE 62 -3.474 -7.760 -16.349 451 2HG2 ILE 62 2HG2 ILE 62 -4.780 -8.259 -15.276 452 3HG2 ILE 62 3HG2 ILE 62 -3.860 -6.782 -14.912 453 1HD1 ILE 62 1HD1 ILE 62 -1.670 -6.362 -15.978 454 2HD1 ILE 62 2HD1 ILE 62 0.010 -6.936 -15.921 455 3HD1 ILE 62 3HD1 ILE 62 -1.222 -7.898 -16.770 456 H GLU 63 H GLU 63 -4.369 -11.047 -12.993 457 HA GLU 63 HA GLU 63 -7.123 -10.455 -13.493 458 1HB GLU 63 1HB GLU 63 -7.240 -12.669 -11.734 459 2HB GLU 63 2HB GLU 63 -5.650 -12.802 -12.457 460 1HG GLU 63 1HG GLU 63 -7.978 -12.279 -14.351 461 2HG GLU 63 2HG GLU 63 -6.503 -13.189 -14.629 462 H GLU 64 H GLU 64 -5.368 -10.619 -10.403 463 HA GLU 64 HA GLU 64 -7.484 -10.349 -8.498 464 1HB GLU 64 1HB GLU 64 -4.974 -8.804 -7.886 465 2HB GLU 64 2HB GLU 64 -4.756 -10.494 -8.296 466 1HG GLU 64 1HG GLU 64 -6.770 -10.783 -6.438 467 2HG GLU 64 2HG GLU 64 -5.061 -10.817 -6.041 468 H VAL 65 H VAL 65 -5.648 -7.789 -10.176 469 HA VAL 65 HA VAL 65 -7.805 -5.735 -9.484 470 HB VAL 65 HB VAL 65 -5.244 -5.315 -9.030 471 1HG1 VAL 65 1HG1 VAL 65 -4.027 -4.132 -10.867 472 2HG1 VAL 65 2HG1 VAL 65 -4.380 -5.809 -11.323 473 3HG1 VAL 65 3HG1 VAL 65 -5.349 -4.482 -12.008 474 1HG2 VAL 65 1HG2 VAL 65 -6.990 -3.113 -10.331 475 2HG2 VAL 65 2HG2 VAL 65 -6.986 -3.573 -8.611 476 3HG2 VAL 65 3HG2 VAL 65 -5.544 -2.839 -9.328 477 H ASP 66 H ASP 66 -7.033 -4.085 -11.777 478 HA ASP 66 HA ASP 66 -7.593 -3.719 -14.081 479 1HB ASP 66 1HB ASP 66 -6.220 -6.188 -14.117 480 2HB ASP 66 2HB ASP 66 -7.706 -6.548 -14.966 481 H GLU 67 H GLU 67 -9.547 -3.520 -12.400 482 HA GLU 67 HA GLU 67 -11.910 -5.285 -13.024 483 1HB GLU 67 1HB GLU 67 -11.521 -4.567 -10.703 484 2HB GLU 67 2HB GLU 67 -13.098 -4.075 -11.292 485 1HG GLU 67 1HG GLU 67 -12.622 -2.001 -10.460 486 2HG GLU 67 2HG GLU 67 -11.546 -1.783 -11.829 487 H ASP 68 H ASP 68 -10.819 -3.892 -15.253 488 HA ASP 68 HA ASP 68 -13.067 -1.953 -15.987 489 1HB ASP 68 1HB ASP 68 -10.666 -0.893 -15.550 490 2HB ASP 68 2HB ASP 68 -11.710 -0.323 -16.832 491 H GLY 69 H GLY 69 -10.496 -4.135 -17.160 492 1HA GLY 69 1HA GLY 69 -12.401 -5.202 -19.322 493 2HA GLY 69 2HA GLY 69 -11.077 -6.133 -18.610 494 H SER 70 H SER 70 -9.099 -6.049 -19.447 495 HA SER 70 HA SER 70 -8.594 -4.913 -22.140 496 1HB SER 70 1HB SER 70 -8.243 -2.772 -21.401 497 2HB SER 70 2HB SER 70 -6.609 -3.395 -21.161 498 HG SER 70 HG SER 70 -7.650 -2.250 -19.381 499 H GLY 71 H GLY 71 -6.790 -5.577 -19.105 500 1HA GLY 71 1HA GLY 71 -5.252 -7.843 -20.501 501 2HA GLY 71 2HA GLY 71 -5.590 -7.794 -18.765 502 H THR 72 H THR 72 -4.582 -4.994 -20.637 503 HA THR 72 HA THR 72 -1.733 -5.086 -19.619 504 HB THR 72 HB THR 72 -1.663 -2.764 -20.917 505 HG1 THR 72 HG1 THR 72 -4.077 -3.223 -21.249 506 1HG2 THR 72 1HG2 THR 72 -1.028 -3.861 -23.026 507 2HG2 THR 72 2HG2 THR 72 -0.349 -4.788 -21.671 508 3HG2 THR 72 3HG2 THR 72 -1.785 -5.394 -22.537 509 H ILE 73 H ILE 73 -1.095 -2.545 -19.117 510 HA ILE 73 HA ILE 73 -3.008 -1.369 -17.072 511 HB ILE 73 HB ILE 73 -0.181 -2.260 -16.301 512 1HG1 ILE 73 1HG1 ILE 73 -2.944 -3.397 -15.698 513 2HG1 ILE 73 2HG1 ILE 73 -1.452 -4.235 -16.065 514 1HG2 ILE 73 1HG2 ILE 73 -0.601 -1.279 -14.050 515 2HG2 ILE 73 2HG2 ILE 73 -0.763 -0.020 -15.282 516 3HG2 ILE 73 3HG2 ILE 73 -2.219 -0.726 -14.539 517 1HD1 ILE 73 1HD1 ILE 73 -2.071 -2.928 -13.352 518 2HD1 ILE 73 2HD1 ILE 73 -2.018 -4.662 -13.735 519 3HD1 ILE 73 3HD1 ILE 73 -0.521 -3.702 -13.782 520 H ASP 74 H ASP 74 -3.150 0.173 -18.761 521 HA ASP 74 HA ASP 74 -0.962 1.704 -19.907 522 1HB ASP 74 1HB ASP 74 -2.773 2.252 -21.152 523 2HB ASP 74 2HB ASP 74 -2.909 3.585 -20.028 524 H PHE 75 H PHE 75 -0.802 4.165 -19.481 525 HA PHE 75 HA PHE 75 0.343 4.606 -16.810 526 1HB PHE 75 1HB PHE 75 1.120 5.782 -18.914 527 2HB PHE 75 2HB PHE 75 -0.363 6.698 -18.957 528 HD1 PHE 75 HD1 PHE 75 1.272 5.952 -15.673 529 HD2 PHE 75 HD2 PHE 75 0.816 8.868 -18.805 530 HE1 PHE 75 HE1 PHE 75 2.252 7.680 -14.221 531 HE2 PHE 75 HE2 PHE 75 1.805 10.581 -17.338 532 HZ PHE 75 HZ PHE 75 2.521 9.994 -15.049 533 H GLU 76 H GLU 76 -2.762 5.273 -18.317 534 HA GLU 76 HA GLU 76 -3.871 7.243 -16.510 535 1HB GLU 76 1HB GLU 76 -5.960 5.429 -17.476 536 2HB GLU 76 2HB GLU 76 -5.731 7.146 -17.723 537 1HG GLU 76 1HG GLU 76 -4.061 5.156 -19.349 538 2HG GLU 76 2HG GLU 76 -5.731 5.462 -19.775 539 H GLU 77 H GLU 77 -4.461 3.715 -16.548 540 HA GLU 77 HA GLU 77 -5.819 3.656 -13.910 541 1HB GLU 77 1HB GLU 77 -6.330 1.482 -14.309 542 2HB GLU 77 2HB GLU 77 -6.054 2.007 -15.954 543 1HG GLU 77 1HG GLU 77 -3.852 0.615 -14.308 544 2HG GLU 77 2HG GLU 77 -3.848 0.909 -16.043 545 H PHE 78 H PHE 78 -2.523 3.289 -15.007 546 HA PHE 78 HA PHE 78 -1.288 1.784 -12.865 547 1HB PHE 78 1HB PHE 78 -0.140 2.495 -15.016 548 2HB PHE 78 2HB PHE 78 -0.039 4.136 -14.430 549 HD1 PHE 78 HD1 PHE 78 0.406 1.435 -11.916 550 HD2 PHE 78 HD2 PHE 78 2.478 3.920 -14.753 551 HE1 PHE 78 HE1 PHE 78 2.565 0.784 -10.927 552 HE2 PHE 78 HE2 PHE 78 4.626 3.262 -13.747 553 HZ PHE 78 HZ PHE 78 4.676 1.684 -11.846 554 H LEU 79 H LEU 79 -1.886 5.284 -13.196 555 HA LEU 79 HA LEU 79 -0.715 6.119 -10.639 556 1HB LEU 79 1HB LEU 79 -2.943 7.629 -12.115 557 2HB LEU 79 2HB LEU 79 -1.777 8.289 -10.989 558 HG LEU 79 HG LEU 79 -0.752 7.015 -13.571 559 1HD1 LEU 79 1HD1 LEU 79 -1.007 9.185 -14.778 560 2HD1 LEU 79 2HD1 LEU 79 -2.592 8.537 -14.316 561 3HD1 LEU 79 3HD1 LEU 79 -1.882 9.885 -13.392 562 1HD2 LEU 79 1HD2 LEU 79 0.278 9.383 -11.867 563 2HD2 LEU 79 2HD2 LEU 79 0.967 7.741 -11.907 564 3HD2 LEU 79 3HD2 LEU 79 1.045 8.762 -13.351 565 H VAL 80 H VAL 80 -3.896 4.965 -11.595 566 HA VAL 80 HA VAL 80 -5.390 5.671 -9.172 567 HB VAL 80 HB VAL 80 -5.910 3.709 -11.424 568 1HG1 VAL 80 1HG1 VAL 80 -7.655 6.033 -10.400 569 2HG1 VAL 80 2HG1 VAL 80 -6.414 6.235 -11.644 570 3HG1 VAL 80 3HG1 VAL 80 -7.796 5.156 -11.946 571 1HG2 VAL 80 1HG2 VAL 80 -8.047 2.969 -10.478 572 2HG2 VAL 80 2HG2 VAL 80 -6.786 2.570 -9.288 573 3HG2 VAL 80 3HG2 VAL 80 -7.830 3.974 -9.024 574 H MET 81 H MET 81 -3.341 2.960 -10.113 575 HA MET 81 HA MET 81 -3.934 1.105 -7.884 576 1HB MET 81 1HB MET 81 -1.176 1.020 -9.093 577 2HB MET 81 2HB MET 81 -2.505 0.846 -10.225 578 1HG MET 81 1HG MET 81 -3.392 -0.998 -8.448 579 2HG MET 81 2HG MET 81 -1.688 -1.023 -7.966 580 1HE MET 81 1HE MET 81 -0.426 -2.950 -8.759 581 2HE MET 81 2HE MET 81 -0.013 -3.194 -10.482 582 3HE MET 81 3HE MET 81 0.392 -1.649 -9.681 583 H MET 82 H MET 82 -1.398 3.535 -8.495 584 HA MET 82 HA MET 82 0.080 3.117 -5.977 585 1HB MET 82 1HB MET 82 0.182 5.215 -8.175 586 2HB MET 82 2HB MET 82 0.971 5.570 -6.650 587 1HG MET 82 1HG MET 82 1.571 2.897 -8.017 588 2HG MET 82 2HG MET 82 2.294 4.382 -8.648 589 1HE MET 82 1HE MET 82 4.807 3.690 -8.178 590 2HE MET 82 2HE MET 82 4.209 2.089 -7.652 591 3HE MET 82 3HE MET 82 5.366 2.987 -6.627 592 H VAL 83 H VAL 83 -2.664 5.080 -6.923 593 HA VAL 83 HA VAL 83 -2.557 7.077 -4.756 594 HB VAL 83 HB VAL 83 -4.301 6.556 -7.046 595 1HG1 VAL 83 1HG1 VAL 83 -6.429 7.515 -6.149 596 2HG1 VAL 83 2HG1 VAL 83 -6.066 5.968 -5.371 597 3HG1 VAL 83 3HG1 VAL 83 -5.770 7.486 -4.493 598 1HG2 VAL 83 1HG2 VAL 83 -3.863 9.123 -5.381 599 2HG2 VAL 83 2HG2 VAL 83 -2.934 8.649 -6.822 600 3HG2 VAL 83 3HG2 VAL 83 -4.655 9.032 -6.975 601 NH1 ARG 84 NH1 ARG 84 -10.150 1.034 -4.882 602 NH2 ARG 84 NH2 ARG 84 -9.465 -0.688 -3.568 603 H ARG 84 H ARG 84 -4.524 4.142 -5.320 604 HA ARG 84 HA ARG 84 -6.231 4.141 -2.992 605 1HB ARG 84 1HB ARG 84 -5.069 1.838 -4.649 606 2HB ARG 84 2HB ARG 84 -6.042 1.523 -3.219 607 1HG ARG 84 1HG ARG 84 -8.023 2.486 -4.134 608 2HG ARG 84 2HG ARG 84 -7.150 3.402 -5.365 609 1HD ARG 84 1HD ARG 84 -7.991 1.654 -6.681 610 2HD ARG 84 2HD ARG 84 -6.403 0.992 -6.288 611 HE ARG 84 HE ARG 84 -7.605 -0.812 -5.249 612 1HH1 ARG 84 1HH1 ARG 84 -9.936 1.669 -5.659 613 2HH1 ARG 84 2HH1 ARG 84 -11.020 0.995 -4.341 614 1HH2 ARG 84 1HH2 ARG 84 -8.727 -1.364 -3.340 615 2HH2 ARG 84 2HH2 ARG 84 -10.381 -0.602 -3.116 616 H GLN 85 H GLN 85 -2.936 2.842 -3.415 617 HA GLN 85 HA GLN 85 -2.716 1.738 -0.647 618 1HB GLN 85 1HB GLN 85 -0.483 2.183 -2.712 619 2HB GLN 85 2HB GLN 85 -0.364 1.242 -1.236 620 1HG GLN 85 1HG GLN 85 -2.633 0.192 -2.718 621 2HG GLN 85 2HG GLN 85 -1.332 0.414 -3.867 622 1HE2 GLN 85 1HE2 GLN 85 0.771 -1.859 -1.528 623 2HE2 GLN 85 2HE2 GLN 85 0.860 -0.084 -1.985 624 H MET 86 H MET 86 -1.828 4.686 -2.350 625 HA MET 86 HA MET 86 0.152 5.898 -0.700 626 1HB MET 86 1HB MET 86 -1.725 8.001 -1.433 627 2HB MET 86 2HB MET 86 -1.667 6.841 -2.748 628 1HG MET 86 1HG MET 86 0.428 7.504 -3.416 629 2HG MET 86 2HG MET 86 1.070 7.497 -1.766 630 1HE MET 86 1HE MET 86 -2.020 9.462 -3.496 631 2HE MET 86 2HE MET 86 -1.244 11.053 -3.747 632 3HE MET 86 3HE MET 86 -0.647 9.621 -4.636 633 H LYS 87 H LYS 87 -3.316 5.587 -0.173 634 HA LYS 87 HA LYS 87 -3.893 7.435 1.926 635 1HB LYS 87 1HB LYS 87 -5.371 5.340 2.869 636 2HB LYS 87 2HB LYS 87 -4.992 4.686 1.283 637 1HG LYS 87 1HG LYS 87 -6.088 6.480 0.108 638 2HG LYS 87 2HG LYS 87 -6.179 7.504 1.531 639 1HD LYS 87 1HD LYS 87 -7.846 5.034 0.822 640 2HD LYS 87 2HD LYS 87 -7.664 5.498 2.510 641 1HE LYS 87 1HE LYS 87 -8.397 7.964 1.464 642 2HE LYS 87 2HE LYS 87 -9.222 6.900 0.317 643 1HZ LYS 87 1HZ LYS 87 -9.481 6.476 3.241 644 2HZ LYS 87 2HZ LYS 87 -10.469 5.930 2.035 645 3HZ LYS 87 3HZ LYS 87 -10.455 7.534 2.429 646 H GLU 88 H GLU 88 -3.630 7.492 4.100 647 HA GLU 88 HA GLU 88 -1.597 5.559 5.332 648 1HB GLU 88 1HB GLU 88 -1.286 7.568 7.017 649 2HB GLU 88 2HB GLU 88 -0.445 7.527 5.479 650 1HG GLU 88 1HG GLU 88 -1.839 9.247 4.522 651 2HG GLU 88 2HG GLU 88 -3.127 8.999 5.689 652 H ASP 89 H ASP 89 -3.550 4.210 5.599 653 HA ASP 89 HA ASP 89 -4.918 4.724 8.262 654 1HB ASP 89 1HB ASP 89 -6.422 4.448 5.633 655 2HB ASP 89 2HB ASP 89 -7.114 3.741 7.074 656 H ALA 90 H ALA 90 -4.416 3.052 9.424 657 HA ALA 90 HA ALA 90 -5.045 0.251 8.570 658 1HB ALA 90 1HB ALA 90 -2.772 -0.712 9.016 659 2HB ALA 90 2HB ALA 90 -2.718 0.417 7.648 660 3HB ALA 90 3HB ALA 90 -2.092 0.919 9.238 No H/Q in entry = 660
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