NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
26546 | 2lfb | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 0 3H MET 0 -10.676 24.572 8.622 2 2H MET 0 1H MET 0 -9.596 25.755 9.003 3 3H MET 0 2H MET 0 -11.183 26.150 8.591 4 HA MET 0 HA MET 0 -10.848 25.221 6.442 5 1HB MET 0 2HB MET 0 -10.188 27.674 7.189 6 2HB MET 0 3HB MET 0 -8.549 27.142 6.813 7 1HG MET 0 2HG MET 0 -9.697 28.414 5.045 8 2HG MET 0 3HG MET 0 -9.209 26.847 4.446 9 1HE MET 0 3HE MET 0 -11.018 24.749 4.275 10 2HE MET 0 1HE MET 0 -12.412 25.232 3.292 11 3HE MET 0 2HE MET 0 -10.773 25.688 2.787 12 H ALA 1 H ALA 1 -8.287 25.245 5.030 13 HA ALA 1 HA ALA 1 -6.565 23.933 4.523 14 1HB ALA 1 1HB ALA 1 -5.579 24.515 6.649 15 2HB ALA 1 2HB ALA 1 -6.372 23.133 7.431 16 3HB ALA 1 3HB ALA 1 -5.193 22.859 6.142 17 H ARG 2 H ARG 2 -8.226 21.956 6.975 18 HA ARG 2 HA ARG 2 -9.299 20.059 6.975 19 1HB ARG 2 1HB ARG 2 -10.839 19.564 5.441 20 2HB ARG 2 2HB ARG 2 -10.388 21.149 4.822 21 1HG ARG 2 1HG ARG 2 -8.777 19.851 3.233 22 2HG ARG 2 2HG ARG 2 -9.581 18.391 3.771 23 1HD ARG 2 1HD ARG 2 -11.443 18.777 2.543 24 2HD ARG 2 2HD ARG 2 -11.510 20.474 2.965 25 HE ARG 2 HE ARG 2 -9.586 20.811 1.309 26 1HH1 ARG 2 2HH2 ARG 2 -11.439 17.883 0.701 27 2HH1 ARG 2 1HH2 ARG 2 -11.684 18.222 -0.966 28 1HH2 ARG 2 2HH1 ARG 2 -10.221 21.471 -0.844 29 2HH2 ARG 2 1HH1 ARG 2 -10.927 20.280 -1.876 30 H ILE 3 H ILE 3 -9.048 17.692 6.670 31 HA ILE 3 HA ILE 3 -6.425 16.919 5.547 32 HB ILE 3 HB ILE 3 -6.549 14.994 6.821 33 1HG1 ILE 3 1HG1 ILE 3 -8.571 14.759 8.534 34 2HG1 ILE 3 2HG1 ILE 3 -9.486 15.536 7.246 35 1HG2 ILE 3 3HG2 ILE 3 -6.010 17.153 7.993 36 2HG2 ILE 3 1HG2 ILE 3 -7.641 17.108 8.689 37 3HG2 ILE 3 2HG2 ILE 3 -6.482 15.813 9.052 38 1HD1 ILE 3 1HD1 ILE 3 -8.653 13.639 5.705 39 2HD1 ILE 3 2HD1 ILE 3 -7.822 12.972 7.097 40 3HD1 ILE 3 3HD1 ILE 3 -9.589 13.064 7.096 41 H ASP 4 H ASP 4 -6.449 15.917 3.561 42 HA ASP 4 HA ASP 4 -8.958 14.684 2.578 43 1HB ASP 4 1HB ASP 4 -8.076 17.228 1.697 44 2HB ASP 4 2HB ASP 4 -7.473 16.105 0.474 45 HA PRO 5 HA PRO 5 -6.123 11.493 1.738 46 1HB PRO 5 1HB PRO 5 -7.001 10.270 -0.565 47 2HB PRO 5 2HB PRO 5 -7.850 10.157 1.004 48 1HG PRO 5 1HG PRO 5 -8.396 12.126 -1.244 49 2HG PRO 5 2HG PRO 5 -9.573 11.058 -0.436 50 1HD PRO 5 1HD PRO 5 -9.295 13.610 0.354 51 2HD PRO 5 2HD PRO 5 -9.405 12.347 1.615 52 H THR 6 H THR 6 -4.144 11.468 0.964 53 HA THR 6 HA THR 6 -3.083 13.280 -1.016 54 HB THR 6 HB THR 6 -1.063 11.687 -0.556 55 HG1 THR 6 1HG THR 6 -1.587 10.466 1.493 56 1HG2 THR 6 2HG2 THR 6 -1.461 13.839 0.645 57 2HG2 THR 6 3HG2 THR 6 -2.441 12.971 1.847 58 3HG2 THR 6 1HG2 THR 6 -0.706 12.614 1.675 59 H LYS 7 H LYS 7 -3.308 9.787 -0.780 60 HA LYS 7 HA LYS 7 -3.788 9.204 -3.608 61 1HB LYS 7 1HB LYS 7 -1.462 9.969 -3.634 62 2HB LYS 7 2HB LYS 7 -1.044 8.968 -2.256 63 1HG LYS 7 1HG LYS 7 -0.124 7.982 -4.160 64 2HG LYS 7 2HG LYS 7 -1.448 6.909 -3.706 65 1HD LYS 7 1HD LYS 7 -2.798 7.608 -5.546 66 2HD LYS 7 2HD LYS 7 -1.970 9.162 -5.660 67 1HE LYS 7 1HE LYS 7 0.118 7.980 -6.444 68 2HE LYS 7 2HE LYS 7 -0.808 6.465 -6.502 69 1HZ LYS 7 2HZ LYS 7 -1.442 8.934 -8.009 70 2HZ LYS 7 3HZ LYS 7 -0.706 7.586 -8.644 71 3HZ LYS 7 1HZ LYS 7 -2.249 7.519 -8.130 72 H LYS 8 H LYS 8 -1.884 7.771 -0.961 73 HA LYS 8 HA LYS 8 -3.632 6.167 0.410 74 1HB LYS 8 1HB LYS 8 -3.053 5.099 -2.311 75 2HB LYS 8 2HB LYS 8 -2.540 3.994 -1.051 76 1HG LYS 8 1HG LYS 8 -4.632 3.823 -0.066 77 2HG LYS 8 2HG LYS 8 -5.311 5.180 -0.962 78 1HD LYS 8 1HD LYS 8 -4.309 2.581 -2.249 79 2HD LYS 8 2HD LYS 8 -5.989 2.852 -1.788 80 1HE LYS 8 1HE LYS 8 -4.408 4.351 -3.933 81 2HE LYS 8 2HE LYS 8 -5.805 3.298 -4.136 82 1HZ LYS 8 2HZ LYS 8 -7.098 4.948 -2.848 83 2HZ LYS 8 3HZ LYS 8 -5.805 5.985 -2.929 84 3HZ LYS 8 1HZ LYS 8 -6.532 5.464 -4.300 85 H GLY 9 H GLY 9 -2.410 4.929 1.982 86 1HA GLY 9 1HA GLY 9 0.032 3.724 1.117 87 2HA GLY 9 2HA GLY 9 0.320 5.017 2.308 88 H ARG 10 H ARG 10 -0.144 4.612 4.340 89 HA ARG 10 HA ARG 10 -0.710 1.795 5.007 90 1HB ARG 10 1HB ARG 10 1.382 3.294 5.681 91 2HB ARG 10 2HB ARG 10 0.341 3.848 6.969 92 1HG ARG 10 1HG ARG 10 1.477 2.048 7.926 93 2HG ARG 10 2HG ARG 10 -0.080 1.342 7.508 94 1HD ARG 10 1HD ARG 10 1.776 -0.160 6.906 95 2HD ARG 10 2HD ARG 10 0.932 0.337 5.447 96 HE ARG 10 HE ARG 10 3.141 2.126 5.991 97 1HH1 ARG 10 2HH2 ARG 10 2.746 -1.322 5.115 98 2HH1 ARG 10 1HH2 ARG 10 3.972 -1.194 3.872 99 1HH2 ARG 10 2HH1 ARG 10 4.903 2.076 4.680 100 2HH2 ARG 10 1HH1 ARG 10 5.281 0.651 3.696 101 H ARG 11 H ARG 11 -3.103 2.594 4.436 102 HA ARG 11 HA ARG 11 -4.494 4.297 6.125 103 1HB ARG 11 1HB ARG 11 -5.393 3.342 4.027 104 2HB ARG 11 2HB ARG 11 -5.527 1.767 4.844 105 1HG ARG 11 1HG ARG 11 -7.698 2.531 4.955 106 2HG ARG 11 2HG ARG 11 -7.081 3.029 6.521 107 1HD ARG 11 1HD ARG 11 -8.139 4.955 5.871 108 2HD ARG 11 2HD ARG 11 -6.511 5.302 5.251 109 HE ARG 11 HE ARG 11 -8.090 3.904 3.271 110 1HH1 ARG 11 2HH2 ARG 11 -7.932 7.129 4.867 111 2HH1 ARG 11 1HH2 ARG 11 -8.921 7.834 3.586 112 1HH2 ARG 11 2HH1 ARG 11 -9.075 5.040 1.549 113 2HH2 ARG 11 1HH1 ARG 11 -9.594 6.701 1.814 114 H ASN 12 H ASN 12 -5.680 4.005 7.989 115 HA ASN 12 HA ASN 12 -4.482 2.122 9.875 116 1HB ASN 12 1HB ASN 12 -5.534 3.287 11.650 117 2HB ASN 12 2HB ASN 12 -4.730 4.413 10.561 118 1HD2 ASN 12 2HD2 ASN 12 -7.643 6.353 10.322 119 2HD2 ASN 12 1HD2 ASN 12 -5.893 6.252 10.109 120 H ARG 13 H ARG 13 -7.901 2.718 8.906 121 HA ARG 13 HA ARG 13 -9.019 0.621 10.292 122 1HB ARG 13 1HB ARG 13 -10.855 0.729 8.755 123 2HB ARG 13 2HB ARG 13 -10.267 2.370 9.094 124 1HG ARG 13 1HG ARG 13 -8.935 1.968 6.823 125 2HG ARG 13 2HG ARG 13 -10.148 0.718 6.558 126 1HD ARG 13 1HD ARG 13 -10.501 3.714 6.895 127 2HD ARG 13 2HD ARG 13 -10.855 2.788 5.467 128 HE ARG 13 HE ARG 13 -12.466 3.236 7.878 129 1HH1 ARG 13 2HH2 ARG 13 -12.075 1.050 5.122 130 2HH1 ARG 13 1HH2 ARG 13 -13.756 1.059 4.679 131 1HH2 ARG 13 2HH1 ARG 13 -14.747 2.812 7.644 132 2HH2 ARG 13 1HH1 ARG 13 -15.322 1.949 6.256 133 H PHE 14 H PHE 14 -7.543 0.581 7.153 134 HA PHE 14 HA PHE 14 -7.940 -2.190 6.491 135 1HB PHE 14 1HB PHE 14 -7.242 -0.434 4.839 136 2HB PHE 14 2HB PHE 14 -5.681 -0.329 5.675 137 HD1 PHE 14 1HD PHE 14 -4.075 -2.258 5.628 138 HD2 PHE 14 2HD PHE 14 -7.857 -2.481 3.568 139 HE1 PHE 14 1HE PHE 14 -3.282 -4.230 4.349 140 HE2 PHE 14 2HE PHE 14 -7.084 -4.517 2.437 141 HZ PHE 14 HZ PHE 14 -4.660 -5.147 2.506 142 H LYS 15 H LYS 15 -6.888 -3.926 7.236 143 HA LYS 15 HA LYS 15 -4.158 -3.707 8.317 144 1HB LYS 15 1HB LYS 15 -4.628 -5.676 9.713 145 2HB LYS 15 2HB LYS 15 -5.567 -4.298 10.284 146 1HG LYS 15 1HG LYS 15 -7.611 -5.225 9.672 147 2HG LYS 15 2HG LYS 15 -6.946 -6.149 8.333 148 1HD LYS 15 1HD LYS 15 -5.731 -7.602 10.071 149 2HD LYS 15 2HD LYS 15 -6.751 -6.827 11.279 150 1HE LYS 15 1HE LYS 15 -7.613 -9.021 10.580 151 2HE LYS 15 2HE LYS 15 -8.778 -7.760 10.156 152 1HZ LYS 15 1HZ LYS 15 -6.852 -8.724 8.127 153 2HZ LYS 15 2HZ LYS 15 -8.085 -9.627 8.447 154 3HZ LYS 15 3HZ LYS 15 -8.337 -8.092 7.900 155 H TRP 16 H TRP 16 -2.925 -5.559 7.568 156 HA TRP 16 HA TRP 16 -4.198 -7.167 5.378 157 1HB TRP 16 1HB TRP 16 -1.436 -7.122 6.660 158 2HB TRP 16 2HB TRP 16 -2.014 -8.473 5.672 159 HD1 TRP 16 HD TRP 16 -0.401 -5.167 5.250 160 HE1 TRP 16 1HE TRP 16 -0.051 -4.748 2.697 161 HE3 TRP 16 3HE TRP 16 -3.408 -8.842 3.317 162 HZ2 TRP 16 2HZ TRP 16 -1.341 -5.479 0.302 163 HZ3 TRP 16 3HZ TRP 16 -3.646 -9.058 0.859 164 HH2 TRP 16 HH TRP 16 -2.755 -7.325 -0.648 165 H GLY 17 H GLY 17 -2.352 -8.974 7.745 166 1HA GLY 17 1HA GLY 17 -3.870 -9.273 9.951 167 2HA GLY 17 2HA GLY 17 -4.817 -10.198 8.766 168 HA PRO 18 HA PRO 18 -1.162 -12.472 10.659 169 1HB PRO 18 1HB PRO 18 -2.450 -14.577 11.891 170 2HB PRO 18 2HB PRO 18 -2.206 -12.981 12.648 171 1HG PRO 18 1HG PRO 18 -4.681 -13.995 11.232 172 2HG PRO 18 2HG PRO 18 -4.581 -13.137 12.792 173 1HD PRO 18 1HD PRO 18 -5.189 -11.837 10.466 174 2HD PRO 18 2HD PRO 18 -4.182 -11.056 11.724 175 H ALA 19 H ALA 19 -3.958 -13.889 9.141 176 HA ALA 19 HA ALA 19 -2.580 -16.320 8.197 177 1HB ALA 19 1HB ALA 19 -5.295 -15.109 7.454 178 2HB ALA 19 2HB ALA 19 -4.695 -16.714 6.975 179 3HB ALA 19 3HB ALA 19 -5.017 -16.361 8.685 180 H SER 20 H SER 20 -3.886 -13.277 6.982 181 HA SER 20 HA SER 20 -3.077 -13.082 4.422 182 1HB SER 20 1HB SER 20 -2.691 -10.679 6.066 183 2HB SER 20 2HB SER 20 -3.851 -10.998 4.760 184 HG SER 20 HG SER 20 -5.252 -11.112 6.291 185 H GLN 21 H GLN 21 -0.935 -12.605 7.343 186 HA GLN 21 HA GLN 21 1.288 -11.599 5.760 187 1HB GLN 21 1HB GLN 21 1.456 -13.147 8.387 188 2HB GLN 21 2HB GLN 21 2.734 -12.240 7.588 189 1HG GLN 21 1HG GLN 21 0.392 -11.182 9.137 190 2HG GLN 21 2HG GLN 21 2.101 -10.872 9.331 191 1HE2 GLN 21 2HE2 GLN 21 0.013 -8.789 6.435 192 2HE2 GLN 21 1HE2 GLN 21 -0.642 -10.264 7.173 193 H GLN 22 H GLN 22 0.313 -14.838 6.901 194 HA GLN 22 HA GLN 22 2.380 -16.325 5.636 195 1HB GLN 22 1HB GLN 22 1.327 -17.785 6.917 196 2HB GLN 22 2HB GLN 22 -0.183 -16.902 6.927 197 1HG GLN 22 1HG GLN 22 -0.760 -17.909 4.694 198 2HG GLN 22 2HG GLN 22 0.759 -18.828 4.759 199 1HE2 GLN 22 2HE2 GLN 22 -2.381 -19.775 7.276 200 2HE2 GLN 22 1HE2 GLN 22 -2.273 -18.164 6.561 201 H ILE 23 H ILE 23 -0.821 -15.269 4.359 202 HA ILE 23 HA ILE 23 -0.608 -16.320 1.804 203 HB ILE 23 HB ILE 23 -1.871 -13.683 2.469 204 1HG1 ILE 23 1HG1 ILE 23 -2.734 -15.779 3.741 205 2HG1 ILE 23 2HG1 ILE 23 -3.888 -14.789 2.866 206 1HG2 ILE 23 1HG2 ILE 23 -2.102 -15.532 0.069 207 2HG2 ILE 23 2HG2 ILE 23 -3.190 -14.160 0.409 208 3HG2 ILE 23 3HG2 ILE 23 -1.470 -13.890 0.112 209 1HD1 ILE 23 2HD1 ILE 23 -2.696 -17.349 1.738 210 2HD1 ILE 23 3HD1 ILE 23 -4.224 -17.249 2.623 211 3HD1 ILE 23 1HD1 ILE 23 -4.051 -16.403 1.086 212 H LEU 24 H LEU 24 0.559 -13.086 2.870 213 HA LEU 24 HA LEU 24 1.719 -12.246 0.359 214 1HB LEU 24 1HB LEU 24 2.430 -11.613 3.298 215 2HB LEU 24 2HB LEU 24 3.135 -10.814 1.899 216 HG LEU 24 HG LEU 24 0.247 -10.669 2.800 217 1HD1 LEU 24 1HD1 LEU 24 1.847 -9.205 3.963 218 2HD1 LEU 24 2HD1 LEU 24 2.349 -8.518 2.404 219 3HD1 LEU 24 3HD1 LEU 24 0.689 -8.286 2.983 220 1HD2 LEU 24 1HD2 LEU 24 1.441 -9.978 0.150 221 2HD2 LEU 24 2HD2 LEU 24 -0.109 -10.730 0.535 222 3HD2 LEU 24 3HD2 LEU 24 0.109 -8.995 0.795 223 H PHE 25 H PHE 25 3.228 -13.968 3.155 224 HA PHE 25 HA PHE 25 5.783 -14.208 1.933 225 1HB PHE 25 1HB PHE 25 4.389 -15.979 3.967 226 2HB PHE 25 2HB PHE 25 6.047 -16.216 3.447 227 HD1 PHE 25 1HD PHE 25 7.551 -13.952 3.481 228 HD2 PHE 25 2HD PHE 25 4.249 -14.897 6.082 229 HE1 PHE 25 1HE PHE 25 8.472 -12.434 5.208 230 HE2 PHE 25 2HE PHE 25 5.173 -13.383 7.804 231 HZ PHE 25 HZ PHE 25 7.280 -12.135 7.370 232 H GLN 26 H GLN 26 2.953 -16.439 1.782 233 HA GLN 26 HA GLN 26 4.418 -18.235 0.040 234 1HB GLN 26 1HB GLN 26 2.567 -19.654 0.086 235 2HB GLN 26 2HB GLN 26 2.823 -19.035 1.718 236 1HG GLN 26 1HG GLN 26 1.040 -17.375 1.208 237 2HG GLN 26 2HG GLN 26 0.665 -18.225 -0.285 238 1HE2 GLN 26 2HE2 GLN 26 -0.174 -21.263 1.850 239 2HE2 GLN 26 1HE2 GLN 26 1.142 -20.929 0.740 240 H ALA 27 H ALA 27 3.222 -15.224 -0.664 241 HA ALA 27 HA ALA 27 2.732 -15.957 -3.514 242 1HB ALA 27 1HB ALA 27 1.561 -14.049 -2.443 243 2HB ALA 27 2HB ALA 27 3.115 -13.213 -2.261 244 3HB ALA 27 3HB ALA 27 2.526 -13.638 -3.887 245 H TYR 28 H TYR 28 5.015 -14.346 -1.353 246 HA TYR 28 HA TYR 28 7.199 -13.940 -3.075 247 1HB TYR 28 1HB TYR 28 6.636 -13.701 -0.288 248 2HB TYR 28 2HB TYR 28 8.036 -14.747 -0.393 249 HD1 TYR 28 2HD TYR 28 6.755 -11.598 -2.003 250 HD2 TYR 28 1HD TYR 28 10.004 -13.547 0.018 251 HE1 TYR 28 2HE TYR 28 8.021 -9.468 -2.009 252 HE2 TYR 28 1HE TYR 28 11.246 -11.412 0.099 253 HH TYR 28 HH TYR 28 10.119 -8.541 -1.609 254 H GLU 29 H GLU 29 6.228 -16.938 -1.304 255 HA GLU 29 HA GLU 29 8.478 -18.466 -1.901 256 1HB GLU 29 1HB GLU 29 7.270 -20.380 -1.393 257 2HB GLU 29 2HB GLU 29 6.416 -19.132 -0.507 258 1HG GLU 29 1HG GLU 29 4.840 -19.070 -2.586 259 2HG GLU 29 2HG GLU 29 5.655 -20.586 -3.057 260 H ARG 30 H ARG 30 5.626 -17.842 -3.984 261 HA ARG 30 HA ARG 30 6.556 -19.546 -6.142 262 1HB ARG 30 1HB ARG 30 4.302 -17.502 -5.914 263 2HB ARG 30 2HB ARG 30 4.554 -18.539 -7.319 264 1HG ARG 30 1HG ARG 30 3.846 -20.471 -6.211 265 2HG ARG 30 2HG ARG 30 4.373 -19.880 -4.653 266 1HD ARG 30 1HD ARG 30 2.426 -18.108 -4.922 267 2HD ARG 30 2HD ARG 30 1.767 -19.333 -6.036 268 HE ARG 30 HE ARG 30 2.658 -20.421 -3.458 269 1HH1 ARG 30 2HH2 ARG 30 0.061 -18.344 -4.728 270 2HH1 ARG 30 1HH2 ARG 30 -0.918 -18.572 -3.325 271 1HH2 ARG 30 2HH1 ARG 30 1.445 -20.672 -1.737 272 2HH2 ARG 30 1HH1 ARG 30 -0.227 -20.009 -1.642 273 H GLN 31 H GLN 31 5.749 -16.034 -6.086 274 HA GLN 31 HA GLN 31 7.819 -15.694 -8.246 275 1HB GLN 31 1HB GLN 31 5.785 -16.108 -9.302 276 2HB GLN 31 2HB GLN 31 4.890 -15.041 -8.227 277 1HG GLN 31 1HG GLN 31 5.807 -13.076 -9.260 278 2HG GLN 31 2HG GLN 31 7.103 -14.012 -10.043 279 1HE2 GLN 31 2HE2 GLN 31 3.414 -14.005 -11.802 280 2HE2 GLN 31 1HE2 GLN 31 3.588 -13.244 -10.237 281 H LYS 32 H LYS 32 8.936 -13.890 -8.293 282 HA LYS 32 HA LYS 32 8.612 -11.948 -6.031 283 1HB LYS 32 1HB LYS 32 10.999 -13.214 -7.459 284 2HB LYS 32 2HB LYS 32 11.161 -11.624 -6.735 285 1HG LYS 32 1HG LYS 32 11.971 -13.250 -5.180 286 2HG LYS 32 2HG LYS 32 10.562 -12.398 -4.556 287 1HD LYS 32 1HD LYS 32 10.398 -14.628 -3.876 288 2HD LYS 32 2HD LYS 32 9.133 -14.373 -5.068 289 1HE LYS 32 1HE LYS 32 10.692 -15.541 -6.778 290 2HE LYS 32 2HE LYS 32 11.804 -15.830 -5.429 291 1HZ LYS 32 1HZ LYS 32 9.591 -16.891 -4.436 292 2HZ LYS 32 2HZ LYS 32 9.263 -17.119 -6.007 293 3HZ LYS 32 3HZ LYS 32 10.596 -17.766 -5.384 294 H ASN 33 H ASN 33 8.031 -12.177 -9.340 295 HA ASN 33 HA ASN 33 8.343 -9.226 -9.695 296 1HB ASN 33 1HB ASN 33 9.237 -11.452 -11.530 297 2HB ASN 33 2HB ASN 33 8.482 -10.017 -12.219 298 1HD2 ASN 33 2HD2 ASN 33 11.804 -8.923 -10.111 299 2HD2 ASN 33 1HD2 ASN 33 10.485 -9.705 -9.252 300 HA PRO 34 HA PRO 34 4.293 -10.825 -9.538 301 1HB PRO 34 1HB PRO 34 2.754 -8.576 -9.081 302 2HB PRO 34 2HB PRO 34 3.832 -9.318 -7.873 303 1HG PRO 34 1HG PRO 34 4.484 -6.993 -9.694 304 2HG PRO 34 2HG PRO 34 4.720 -7.108 -7.920 305 1HD PRO 34 1HD PRO 34 6.743 -7.622 -9.667 306 2HD PRO 34 2HD PRO 34 6.548 -8.612 -8.184 307 H SER 35 H SER 35 3.520 -11.644 -11.511 308 HA SER 35 HA SER 35 3.832 -9.860 -13.871 309 1HB SER 35 1HB SER 35 3.624 -12.890 -13.680 310 2HB SER 35 2HB SER 35 3.890 -11.932 -15.147 311 HG SER 35 HG SER 35 5.544 -11.886 -12.815 312 H LYS 36 H LYS 36 1.529 -12.610 -13.673 313 HA LYS 36 HA LYS 36 -0.512 -10.739 -13.025 314 1HB LYS 36 1HB LYS 36 -2.207 -11.376 -14.508 315 2HB LYS 36 2HB LYS 36 -0.954 -10.356 -15.173 316 1HG LYS 36 1HG LYS 36 -0.097 -12.033 -16.563 317 2HG LYS 36 2HG LYS 36 -1.036 -13.327 -15.843 318 1HD LYS 36 1HD LYS 36 -2.420 -10.860 -17.009 319 2HD LYS 36 2HD LYS 36 -1.845 -12.134 -18.078 320 1HE LYS 36 1HE LYS 36 -4.302 -12.286 -17.495 321 2HE LYS 36 2HE LYS 36 -3.343 -13.747 -17.253 322 1HZ LYS 36 2HZ LYS 36 -3.255 -13.336 -14.979 323 2HZ LYS 36 3HZ LYS 36 -4.251 -12.000 -15.013 324 3HZ LYS 36 1HZ LYS 36 -4.728 -13.547 -15.421 325 H GLU 37 H GLU 37 -1.252 -14.198 -13.906 326 HA GLU 37 HA GLU 37 -3.203 -14.405 -12.270 327 1HB GLU 37 1HB GLU 37 -1.093 -16.136 -13.547 328 2HB GLU 37 2HB GLU 37 -1.666 -16.779 -12.060 329 1HG GLU 37 1HG GLU 37 -3.046 -17.571 -13.977 330 2HG GLU 37 2HG GLU 37 -4.039 -16.620 -12.853 331 H GLU 38 H GLU 38 0.047 -15.304 -11.136 332 HA GLU 38 HA GLU 38 0.090 -15.695 -8.540 333 1HB GLU 38 1HB GLU 38 2.172 -15.143 -9.659 334 2HB GLU 38 2HB GLU 38 1.472 -13.702 -10.322 335 1HG GLU 38 1HG GLU 38 1.859 -13.711 -7.327 336 2HG GLU 38 2HG GLU 38 3.305 -13.688 -8.303 337 H ARG 39 H ARG 39 -0.269 -12.338 -9.580 338 HA ARG 39 HA ARG 39 -0.720 -11.357 -6.917 339 1HB ARG 39 1HB ARG 39 0.345 -9.953 -8.581 340 2HB ARG 39 2HB ARG 39 -0.953 -10.304 -9.719 341 1HG ARG 39 1HG ARG 39 -2.505 -8.925 -8.167 342 2HG ARG 39 2HG ARG 39 -1.034 -8.522 -7.259 343 1HD ARG 39 1HD ARG 39 -1.793 -6.835 -8.993 344 2HD ARG 39 2HD ARG 39 -0.123 -7.368 -9.180 345 HE ARG 39 HE ARG 39 -2.472 -8.493 -10.737 346 1HH1 ARG 39 2HH2 ARG 39 0.954 -8.623 -10.455 347 2HH1 ARG 39 1HH2 ARG 39 1.303 -8.578 -12.142 348 1HH2 ARG 39 2HH1 ARG 39 -2.137 -8.553 -12.989 349 2HH2 ARG 39 1HH1 ARG 39 -0.486 -8.630 -13.621 350 H GLU 40 H GLU 40 -2.742 -12.086 -9.628 351 HA GLU 40 HA GLU 40 -5.124 -10.804 -8.719 352 1HB GLU 40 1HB GLU 40 -5.241 -12.720 -10.872 353 2HB GLU 40 2HB GLU 40 -5.834 -11.054 -10.809 354 1HG GLU 40 1HG GLU 40 -2.947 -10.903 -11.044 355 2HG GLU 40 2HG GLU 40 -3.427 -12.333 -11.961 356 H THR 41 H THR 41 -4.044 -14.107 -8.987 357 HA THR 41 HA THR 41 -5.628 -15.582 -7.266 358 HB THR 41 HB THR 41 -2.743 -15.563 -8.032 359 HG1 THR 41 1HG THR 41 -4.800 -17.469 -8.217 360 1HG2 THR 41 3HG2 THR 41 -3.756 -17.273 -5.788 361 2HG2 THR 41 1HG2 THR 41 -2.312 -17.616 -6.785 362 3HG2 THR 41 2HG2 THR 41 -2.373 -16.161 -5.805 363 H LEU 42 H LEU 42 -2.720 -13.660 -6.372 364 HA LEU 42 HA LEU 42 -2.752 -14.194 -3.690 365 1HB LEU 42 1HB LEU 42 -1.148 -12.739 -5.221 366 2HB LEU 42 2HB LEU 42 -2.019 -11.379 -4.522 367 HG LEU 42 HG LEU 42 -0.509 -13.585 -3.068 368 1HD1 LEU 42 2HD1 LEU 42 0.205 -10.697 -3.741 369 2HD1 LEU 42 3HD1 LEU 42 1.156 -11.711 -2.653 370 3HD1 LEU 42 1HD1 LEU 42 0.964 -12.148 -4.375 371 1HD2 LEU 42 1HD2 LEU 42 -1.728 -11.031 -1.935 372 2HD2 LEU 42 2HD2 LEU 42 -2.210 -12.698 -1.586 373 3HD2 LEU 42 3HD2 LEU 42 -0.613 -12.130 -1.096 374 H VAL 43 H VAL 43 -4.440 -11.482 -5.308 375 HA VAL 43 HA VAL 43 -5.565 -10.360 -2.949 376 HB VAL 43 HB VAL 43 -6.699 -10.338 -5.782 377 1HG1 VAL 43 3HG1 VAL 43 -7.265 -8.638 -3.297 378 2HG1 VAL 43 1HG1 VAL 43 -7.850 -8.244 -4.921 379 3HG1 VAL 43 2HG1 VAL 43 -8.423 -9.709 -4.109 380 1HG2 VAL 43 2HG2 VAL 43 -4.427 -9.315 -5.606 381 2HG2 VAL 43 3HG2 VAL 43 -5.683 -8.137 -5.954 382 3HG2 VAL 43 1HG2 VAL 43 -5.015 -8.263 -4.308 383 H GLU 44 H GLU 44 -6.800 -12.950 -5.120 384 HA GLU 44 HA GLU 44 -9.265 -13.375 -3.734 385 1HB GLU 44 1HB GLU 44 -9.066 -14.156 -5.941 386 2HB GLU 44 2HB GLU 44 -7.567 -15.038 -5.593 387 1HG GLU 44 1HG GLU 44 -9.582 -16.466 -5.924 388 2HG GLU 44 2HG GLU 44 -8.690 -16.744 -4.424 389 H GLU 45 H GLU 45 -6.315 -15.408 -3.656 390 HA GLU 45 HA GLU 45 -6.673 -17.094 -1.559 391 1HB GLU 45 1HB GLU 45 -4.446 -16.025 -2.994 392 2HB GLU 45 2HB GLU 45 -4.029 -15.841 -1.310 393 1HG GLU 45 1HG GLU 45 -4.352 -18.271 -0.951 394 2HG GLU 45 2HG GLU 45 -4.846 -18.445 -2.649 395 H CYS 46 H CYS 46 -5.612 -13.717 -1.325 396 HA CYS 46 HA CYS 46 -5.434 -13.697 1.534 397 1HB CYS 46 1HB CYS 46 -4.426 -11.897 -0.102 398 2HB CYS 46 2HB CYS 46 -6.032 -11.178 -0.053 399 HG CYS 46 HG CYS 46 -6.218 -11.234 2.665 400 H ASN 47 H ASN 47 -7.979 -12.562 -0.706 401 HA ASN 47 HA ASN 47 -9.732 -11.438 1.259 402 1HB ASN 47 1HB ASN 47 -10.061 -12.357 -1.604 403 2HB ASN 47 2HB ASN 47 -11.495 -12.135 -0.620 404 1HD2 ASN 47 2HD2 ASN 47 -9.342 -8.800 -1.713 405 2HD2 ASN 47 1HD2 ASN 47 -8.645 -10.411 -1.818 406 H ARG 48 H ARG 48 -9.425 -14.735 -0.086 407 HA ARG 48 HA ARG 48 -11.536 -16.017 1.266 408 1HB ARG 48 1HB ARG 48 -9.183 -16.668 -0.292 409 2HB ARG 48 2HB ARG 48 -9.164 -17.656 1.143 410 1HG ARG 48 1HG ARG 48 -11.462 -18.445 0.618 411 2HG ARG 48 2HG ARG 48 -11.516 -17.328 -0.775 412 1HD ARG 48 1HD ARG 48 -9.541 -18.463 -1.763 413 2HD ARG 48 2HD ARG 48 -9.494 -19.589 -0.416 414 HE ARG 48 HE ARG 48 -11.594 -20.520 -1.058 415 1HH1 ARG 48 2HH2 ARG 48 -10.627 -18.116 -3.406 416 2HH1 ARG 48 1HH2 ARG 48 -11.120 -18.954 -4.817 417 1HH2 ARG 48 2HH1 ARG 48 -12.444 -21.691 -2.895 418 2HH2 ARG 48 1HH1 ARG 48 -12.324 -20.995 -4.482 419 H ALA 49 H ALA 49 -8.068 -15.724 2.216 420 HA ALA 49 HA ALA 49 -8.403 -16.822 4.808 421 1HB ALA 49 1HB ALA 49 -6.249 -16.629 3.662 422 2HB ALA 49 2HB ALA 49 -6.294 -14.855 3.847 423 3HB ALA 49 3HB ALA 49 -6.199 -15.902 5.279 424 H GLU 50 H GLU 50 -9.048 -13.547 3.667 425 HA GLU 50 HA GLU 50 -8.971 -12.408 6.362 426 1HB GLU 50 1HB GLU 50 -8.593 -11.372 3.820 427 2HB GLU 50 2HB GLU 50 -10.227 -10.870 4.201 428 1HG GLU 50 1HG GLU 50 -8.716 -9.130 4.862 429 2HG GLU 50 2HG GLU 50 -9.286 -9.892 6.358 430 H CYS 51 H CYS 51 -11.434 -13.258 3.919 431 HA CYS 51 HA CYS 51 -13.685 -12.382 5.376 432 1HB CYS 51 1HB CYS 51 -15.016 -13.349 3.783 433 2HB CYS 51 2HB CYS 51 -13.521 -13.113 2.883 434 HG CYS 51 HG CYS 51 -12.731 -15.567 3.139 435 H ILE 52 H ILE 52 -11.824 -15.373 5.596 436 HA ILE 52 HA ILE 52 -13.700 -16.896 7.115 437 HB ILE 52 HB ILE 52 -10.696 -16.919 6.679 438 1HG1 ILE 52 1HG1 ILE 52 -12.876 -18.952 6.021 439 2HG1 ILE 52 2HG1 ILE 52 -12.384 -17.668 4.922 440 1HG2 ILE 52 1HG2 ILE 52 -12.210 -18.869 8.457 441 2HG2 ILE 52 2HG2 ILE 52 -10.526 -19.045 7.913 442 3HG2 ILE 52 3HG2 ILE 52 -10.953 -17.720 8.981 443 1HD1 ILE 52 1HD1 ILE 52 -10.041 -18.567 4.956 444 2HD1 ILE 52 2HD1 ILE 52 -10.634 -19.962 5.887 445 3HD1 ILE 52 3HD1 ILE 52 -11.245 -19.662 4.257 446 H GLN 53 H GLN 53 -11.223 -14.496 7.945 447 HA GLN 53 HA GLN 53 -11.373 -14.812 10.808 448 1HB GLN 53 1HB GLN 53 -10.722 -12.287 9.241 449 2HB GLN 53 2HB GLN 53 -10.399 -12.552 10.944 450 1HG GLN 53 1HG GLN 53 -8.695 -14.141 10.535 451 2HG GLN 53 2HG GLN 53 -9.203 -14.394 8.865 452 1HE2 GLN 53 2HE2 GLN 53 -6.828 -12.105 7.735 453 2HE2 GLN 53 1HE2 GLN 53 -7.432 -13.754 7.708 454 H ARG 54 H ARG 54 -13.643 -13.411 8.528 455 HA ARG 54 HA ARG 54 -15.148 -12.139 10.781 456 1HB ARG 54 1HB ARG 54 -15.304 -11.473 7.836 457 2HB ARG 54 2HB ARG 54 -16.115 -10.653 9.168 458 1HG ARG 54 1HG ARG 54 -13.170 -10.617 8.428 459 2HG ARG 54 2HG ARG 54 -14.306 -9.272 8.448 460 1HD ARG 54 1HD ARG 54 -13.003 -10.686 10.794 461 2HD ARG 54 2HD ARG 54 -12.833 -9.023 10.324 462 HE ARG 54 HE ARG 54 -15.193 -8.619 10.950 463 1HH1 ARG 54 2HH2 ARG 54 -13.804 -11.612 12.352 464 2HH1 ARG 54 1HH2 ARG 54 -14.605 -11.415 13.865 465 1HH2 ARG 54 2HH1 ARG 54 -16.212 -8.365 13.024 466 2HH2 ARG 54 1HH1 ARG 54 -16.159 -9.678 14.145 467 H GLY 55 H GLY 55 -15.120 -14.981 9.059 468 1HA GLY 55 1HA GLY 55 -16.737 -16.448 8.395 469 2HA GLY 55 2HA GLY 55 -17.771 -15.739 9.646 470 H VAL 56 H VAL 56 -16.387 -14.136 6.765 471 HA VAL 56 HA VAL 56 -19.113 -13.282 5.939 472 HB VAL 56 HB VAL 56 -16.309 -12.414 5.265 473 1HG1 VAL 56 2HG1 VAL 56 -18.778 -11.720 3.604 474 2HG1 VAL 56 3HG1 VAL 56 -17.182 -10.948 3.488 475 3HG1 VAL 56 1HG1 VAL 56 -17.369 -12.646 3.044 476 1HG2 VAL 56 3HG2 VAL 56 -17.628 -11.365 7.109 477 2HG2 VAL 56 1HG2 VAL 56 -17.201 -10.230 5.803 478 3HG2 VAL 56 2HG2 VAL 56 -18.850 -10.884 5.911 479 H SER 57 H SER 57 -19.932 -13.794 3.881 480 HA SER 57 HA SER 57 -19.761 -16.505 3.248 481 1HB SER 57 1HB SER 57 -21.220 -14.163 2.437 482 2HB SER 57 2HB SER 57 -20.756 -15.053 0.981 483 HG SER 57 HG SER 57 -22.738 -15.828 1.874 484 HA PRO 58 HA PRO 58 -16.030 -16.455 0.721 485 1HB PRO 58 1HB PRO 58 -16.474 -18.600 -0.975 486 2HB PRO 58 2HB PRO 58 -15.964 -18.748 0.729 487 1HG PRO 58 1HG PRO 58 -18.767 -18.985 -0.386 488 2HG PRO 58 2HG PRO 58 -17.964 -20.040 0.808 489 1HD PRO 58 1HD PRO 58 -19.684 -18.072 1.561 490 2HD PRO 58 2HD PRO 58 -18.229 -18.430 2.539 491 H SER 59 H SER 59 -19.131 -16.971 -0.974 492 HA SER 59 HA SER 59 -18.413 -15.658 -3.421 493 1HB SER 59 1HB SER 59 -21.062 -15.702 -3.510 494 2HB SER 59 2HB SER 59 -20.133 -17.206 -3.599 495 HG SER 59 HG SER 59 -21.832 -17.307 -2.019 496 H GLN 60 H GLN 60 -18.394 -14.191 -0.507 497 HA GLN 60 HA GLN 60 -18.693 -11.666 -1.833 498 1HB GLN 60 1HB GLN 60 -21.029 -12.306 -0.699 499 2HB GLN 60 2HB GLN 60 -20.174 -12.043 0.810 500 1HG GLN 60 1HG GLN 60 -21.387 -10.043 0.196 501 2HG GLN 60 2HG GLN 60 -19.664 -9.693 0.089 502 1HE2 GLN 60 2HE2 GLN 60 -20.951 -10.238 -3.720 503 2HE2 GLN 60 1HE2 GLN 60 -20.709 -11.601 -2.662 504 H ALA 61 H ALA 61 -16.499 -13.330 -0.945 505 HA ALA 61 HA ALA 61 -15.598 -12.644 1.627 506 1HB ALA 61 1HB ALA 61 -13.993 -13.132 -0.926 507 2HB ALA 61 2HB ALA 61 -13.297 -13.061 0.693 508 3HB ALA 61 3HB ALA 61 -14.448 -14.343 0.297 509 H GLN 62 H GLN 62 -15.696 -10.673 -1.232 510 HA GLN 62 HA GLN 62 -13.833 -8.777 -0.242 511 1HB GLN 62 1HB GLN 62 -13.926 -7.911 -2.302 512 2HB GLN 62 2HB GLN 62 -14.912 -9.292 -2.694 513 1HG GLN 62 1HG GLN 62 -15.818 -6.478 -2.043 514 2HG GLN 62 2HG GLN 62 -15.900 -7.316 -3.599 515 1HE2 GLN 62 2HE2 GLN 62 -19.236 -7.344 -1.848 516 2HE2 GLN 62 1HE2 GLN 62 -18.098 -6.050 -2.177 517 H GLY 63 H GLY 63 -17.052 -9.411 0.621 518 1HA GLY 63 1HA GLY 63 -18.186 -7.037 1.502 519 2HA GLY 63 2HA GLY 63 -18.372 -8.622 2.269 520 H LEU 64 H LEU 64 -15.368 -8.675 2.767 521 HA LEU 64 HA LEU 64 -14.706 -7.736 5.212 522 1HB LEU 64 1HB LEU 64 -13.260 -7.462 2.563 523 2HB LEU 64 2HB LEU 64 -12.447 -7.099 4.083 524 HG LEU 64 HG LEU 64 -13.846 -9.766 3.782 525 1HD1 LEU 64 1HD1 LEU 64 -12.277 -9.311 1.774 526 2HD1 LEU 64 2HD1 LEU 64 -10.958 -9.153 2.927 527 3HD1 LEU 64 3HD1 LEU 64 -11.844 -10.702 2.758 528 1HD2 LEU 64 1HD2 LEU 64 -13.044 -9.013 5.985 529 2HD2 LEU 64 2HD2 LEU 64 -12.264 -10.470 5.388 530 3HD2 LEU 64 3HD2 LEU 64 -11.388 -8.929 5.317 531 H GLY 65 H GLY 65 -15.021 -5.688 2.341 532 1HA GLY 65 1HA GLY 65 -15.339 -3.451 2.053 533 2HA GLY 65 2HA GLY 65 -16.288 -3.612 3.536 534 H SER 66 H SER 66 -15.172 -3.241 5.588 535 HA SER 66 HA SER 66 -13.898 -0.842 5.956 536 1HB SER 66 1HB SER 66 -14.482 -3.352 7.470 537 2HB SER 66 2HB SER 66 -13.053 -2.505 7.990 538 HG SER 66 HG SER 66 -14.318 -1.203 8.968 539 H ASN 67 H ASN 67 -12.521 -4.125 5.815 540 HA ASN 67 HA ASN 67 -9.805 -3.018 5.312 541 1HB ASN 67 1HB ASN 67 -8.859 -4.624 6.603 542 2HB ASN 67 2HB ASN 67 -10.227 -4.114 7.583 543 1HD2 ASN 67 2HD2 ASN 67 -11.820 -7.447 6.688 544 2HD2 ASN 67 1HD2 ASN 67 -12.306 -5.832 6.257 545 H LEU 68 H LEU 68 -11.690 -3.426 3.205 546 HA LEU 68 HA LEU 68 -11.299 -5.990 2.035 547 1HB LEU 68 1HB LEU 68 -13.112 -4.685 1.387 548 2HB LEU 68 2HB LEU 68 -12.096 -3.368 0.763 549 HG LEU 68 HG LEU 68 -11.300 -4.824 -1.023 550 1HD1 LEU 68 2HD1 LEU 68 -12.820 -7.016 0.341 551 2HD1 LEU 68 3HD1 LEU 68 -12.204 -7.116 -1.333 552 3HD1 LEU 68 1HD1 LEU 68 -11.093 -6.983 -0.005 553 1HD2 LEU 68 2HD2 LEU 68 -14.339 -5.075 -0.688 554 2HD2 LEU 68 3HD2 LEU 68 -13.504 -3.712 -1.432 555 3HD2 LEU 68 1HD2 LEU 68 -13.474 -5.307 -2.207 556 H VAL 69 H VAL 69 -9.533 -6.837 1.433 557 HA VAL 69 HA VAL 69 -7.106 -5.512 0.494 558 HB VAL 69 HB VAL 69 -8.059 -8.377 0.286 559 1HG1 VAL 69 3HG1 VAL 69 -5.304 -7.129 -0.090 560 2HG1 VAL 69 1HG1 VAL 69 -5.671 -8.871 -0.120 561 3HG1 VAL 69 2HG1 VAL 69 -6.292 -7.818 -1.384 562 1HG2 VAL 69 2HG2 VAL 69 -7.808 -7.645 2.659 563 2HG2 VAL 69 3HG2 VAL 69 -6.555 -8.790 2.199 564 3HG2 VAL 69 1HG2 VAL 69 -6.170 -7.067 2.297 565 H THR 70 H THR 70 -7.856 -4.111 -1.026 566 HA THR 70 HA THR 70 -8.948 -5.193 -3.577 567 HB THR 70 HB THR 70 -8.794 -2.869 -4.326 568 HG1 THR 70 1HG THR 70 -8.173 -2.277 -1.600 569 1HG2 THR 70 2HG2 THR 70 -10.859 -3.727 -3.132 570 2HG2 THR 70 3HG2 THR 70 -10.221 -3.007 -1.632 571 3HG2 THR 70 1HG2 THR 70 -10.632 -1.969 -3.004 572 H GLU 71 H GLU 71 -7.686 -5.008 -5.507 573 HA GLU 71 HA GLU 71 -5.163 -5.944 -5.655 574 1HB GLU 71 1HB GLU 71 -6.345 -5.852 -7.599 575 2HB GLU 71 2HB GLU 71 -6.835 -4.173 -7.426 576 1HG GLU 71 1HG GLU 71 -3.958 -4.983 -8.001 577 2HG GLU 71 2HG GLU 71 -5.166 -4.777 -9.264 578 H VAL 72 H VAL 72 -5.661 -2.389 -5.868 579 HA VAL 72 HA VAL 72 -3.145 -1.655 -5.762 580 HB VAL 72 HB VAL 72 -5.118 -0.158 -5.927 581 1HG1 VAL 72 1HG1 VAL 72 -6.235 -0.800 -3.815 582 2HG1 VAL 72 2HG1 VAL 72 -4.933 -0.038 -2.872 583 3HG1 VAL 72 3HG1 VAL 72 -5.962 0.951 -3.909 584 1HG2 VAL 72 2HG2 VAL 72 -2.793 0.708 -5.868 585 2HG2 VAL 72 3HG2 VAL 72 -3.981 1.841 -5.203 586 3HG2 VAL 72 1HG2 VAL 72 -2.937 0.927 -4.109 587 H ARG 73 H ARG 73 -4.685 -3.057 -2.933 588 HA ARG 73 HA ARG 73 -2.711 -2.152 -0.987 589 1HB ARG 73 1HB ARG 73 -4.499 -4.616 -0.908 590 2HB ARG 73 2HB ARG 73 -3.624 -3.904 0.435 591 1HG ARG 73 1HG ARG 73 -5.890 -2.578 -1.132 592 2HG ARG 73 2HG ARG 73 -6.048 -3.316 0.451 593 1HD ARG 73 1HD ARG 73 -4.371 -0.893 -0.260 594 2HD ARG 73 2HD ARG 73 -5.902 -0.886 0.647 595 HE ARG 73 HE ARG 73 -4.229 -2.547 2.064 596 1HH1 ARG 73 2HH2 ARG 73 -4.533 0.947 1.519 597 2HH1 ARG 73 1HH2 ARG 73 -3.028 1.328 2.338 598 1HH2 ARG 73 2HH1 ARG 73 -2.544 -2.009 3.460 599 2HH2 ARG 73 1HH1 ARG 73 -2.378 -0.394 4.019 600 H VAL 74 H VAL 74 -3.166 -5.090 -3.041 601 HA VAL 74 HA VAL 74 -0.832 -6.308 -1.898 602 HB VAL 74 HB VAL 74 -2.896 -7.416 -3.086 603 1HG1 VAL 74 3HG1 VAL 74 -0.955 -7.216 -5.433 604 2HG1 VAL 74 1HG1 VAL 74 -2.379 -8.261 -5.330 605 3HG1 VAL 74 2HG1 VAL 74 -2.587 -6.519 -5.390 606 1HG2 VAL 74 3HG2 VAL 74 -1.068 -8.602 -1.954 607 2HG2 VAL 74 1HG2 VAL 74 -1.559 -9.389 -3.461 608 3HG2 VAL 74 2HG2 VAL 74 -0.057 -8.433 -3.411 609 H TYR 75 H TYR 75 -1.578 -4.510 -4.855 610 HA TYR 75 HA TYR 75 0.914 -4.407 -6.104 611 1HB TYR 75 1HB TYR 75 -1.401 -3.379 -6.739 612 2HB TYR 75 2HB TYR 75 -0.894 -1.985 -5.794 613 HD1 TYR 75 2HD TYR 75 -0.050 -4.150 -8.705 614 HD2 TYR 75 1HD TYR 75 0.470 -0.308 -6.823 615 HE1 TYR 75 2HE TYR 75 0.859 -3.245 -10.814 616 HE2 TYR 75 1HE TYR 75 1.326 0.611 -8.968 617 HH TYR 75 HH TYR 75 1.603 -1.383 -11.903 618 H ASN 76 H ASN 76 -0.390 -2.346 -3.480 619 HA ASN 76 HA ASN 76 1.895 -0.776 -3.016 620 1HB ASN 76 1HB ASN 76 -0.500 -1.448 -1.361 621 2HB ASN 76 2HB ASN 76 0.952 -1.071 -0.453 622 1HD2 ASN 76 2HD2 ASN 76 -1.027 1.876 -2.477 623 2HD2 ASN 76 1HD2 ASN 76 -1.392 0.161 -2.754 624 H TRP 77 H TRP 77 1.047 -3.935 -1.347 625 HA TRP 77 HA TRP 77 3.321 -3.685 0.306 626 1HB TRP 77 1HB TRP 77 2.692 -5.522 1.333 627 2HB TRP 77 2HB TRP 77 1.248 -5.439 0.334 628 HD1 TRP 77 HD TRP 77 1.111 -7.139 -1.638 629 HE1 TRP 77 1HE TRP 77 2.382 -9.284 -2.336 630 HE3 TRP 77 3HE TRP 77 4.794 -6.997 1.854 631 HZ2 TRP 77 2HZ TRP 77 4.544 -10.867 -1.268 632 HZ3 TRP 77 3HZ TRP 77 6.227 -8.980 2.207 633 HH2 TRP 77 HH TRP 77 6.167 -10.886 0.624 634 H PHE 78 H PHE 78 3.070 -5.518 -2.821 635 HA PHE 78 HA PHE 78 5.820 -6.331 -2.785 636 1HB PHE 78 1HB PHE 78 3.845 -5.838 -5.031 637 2HB PHE 78 2HB PHE 78 5.523 -6.258 -5.352 638 HD1 PHE 78 2HD PHE 78 6.525 -8.294 -4.022 639 HD2 PHE 78 1HD PHE 78 2.389 -7.748 -5.119 640 HE1 PHE 78 2HE PHE 78 6.161 -10.743 -3.959 641 HE2 PHE 78 1HE PHE 78 2.106 -10.203 -5.123 642 HZ PHE 78 HZ PHE 78 3.890 -11.673 -4.193 643 H ALA 79 H ALA 79 4.240 -3.327 -3.992 644 HA ALA 79 HA ALA 79 6.718 -2.062 -4.820 645 1HB ALA 79 2HB ALA 79 4.508 -1.494 -5.764 646 2HB ALA 79 3HB ALA 79 4.006 -0.849 -4.185 647 3HB ALA 79 1HB ALA 79 5.327 -0.080 -5.074 648 H ASN 80 H ASN 80 5.523 -2.716 -1.664 649 HA ASN 80 HA ASN 80 7.060 -0.525 -0.373 650 1HB ASN 80 1HB ASN 80 5.745 -3.031 0.794 651 2HB ASN 80 2HB ASN 80 6.923 -2.061 1.630 652 1HD2 ASN 80 2HD2 ASN 80 3.489 -0.004 0.796 653 2HD2 ASN 80 1HD2 ASN 80 4.124 -1.108 -0.416 654 H ARG 81 H ARG 81 7.158 -4.095 -0.552 655 HA ARG 81 HA ARG 81 9.660 -4.534 0.399 656 1HB ARG 81 1HB ARG 81 8.231 -5.971 -1.883 657 2HB ARG 81 2HB ARG 81 9.706 -6.567 -1.147 658 1HG ARG 81 1HG ARG 81 7.038 -6.119 0.290 659 2HG ARG 81 2HG ARG 81 7.694 -7.671 -0.220 660 1HD ARG 81 1HD ARG 81 8.728 -5.805 1.924 661 2HD ARG 81 2HD ARG 81 8.133 -7.439 2.140 662 HE ARG 81 HE ARG 81 10.084 -8.215 0.717 663 1HH1 ARG 81 2HH2 ARG 81 10.429 -5.485 2.987 664 2HH1 ARG 81 1HH2 ARG 81 12.089 -5.204 2.613 665 1HH2 ARG 81 2HH1 ARG 81 12.294 -8.037 0.415 666 2HH2 ARG 81 1HH1 ARG 81 13.234 -6.822 1.228 667 H ARG 82 H ARG 82 9.035 -3.916 -3.099 668 HA ARG 82 HA ARG 82 11.882 -4.032 -3.647 669 1HB ARG 82 1HB ARG 82 11.467 -3.420 -5.813 670 2HB ARG 82 2HB ARG 82 10.353 -4.683 -5.318 671 1HG ARG 82 1HG ARG 82 8.484 -3.338 -5.367 672 2HG ARG 82 2HG ARG 82 9.370 -1.817 -5.142 673 1HD ARG 82 1HD ARG 82 9.487 -3.575 -7.618 674 2HD ARG 82 2HD ARG 82 8.494 -2.092 -7.426 675 HE ARG 82 HE ARG 82 11.352 -1.748 -6.866 676 1HH1 ARG 82 2HH2 ARG 82 8.952 -1.542 -9.454 677 2HH1 ARG 82 1HH2 ARG 82 9.913 -0.460 -10.422 678 1HH2 ARG 82 2HH1 ARG 82 12.642 -0.624 -8.095 679 2HH2 ARG 82 1HH1 ARG 82 12.096 0.264 -9.509 680 H LYS 83 H LYS 83 9.852 -1.428 -2.461 681 HA LYS 83 HA LYS 83 11.737 0.659 -3.262 682 1HB LYS 83 1HB LYS 83 9.232 0.890 -3.115 683 2HB LYS 83 2HB LYS 83 9.388 0.961 -1.366 684 1HG LYS 83 1HG LYS 83 10.813 2.801 -3.382 685 2HG LYS 83 2HG LYS 83 9.227 3.151 -2.724 686 1HD LYS 83 1HD LYS 83 11.802 2.995 -1.088 687 2HD LYS 83 2HD LYS 83 10.961 4.434 -1.622 688 1HE LYS 83 1HE LYS 83 8.928 3.701 -0.326 689 2HE LYS 83 2HE LYS 83 9.864 2.339 0.322 690 1HZ LYS 83 1HZ LYS 83 10.654 5.147 0.677 691 2HZ LYS 83 2HZ LYS 83 9.789 4.291 1.770 692 3HZ LYS 83 3HZ LYS 83 11.300 3.764 1.395 693 H GLU 84 H GLU 84 10.914 -1.331 -0.464 694 HA GLU 84 HA GLU 84 12.476 -0.207 1.553 695 1HB GLU 84 1HB GLU 84 10.872 -2.569 1.009 696 2HB GLU 84 2HB GLU 84 12.424 -3.106 1.544 697 1HG GLU 84 1HG GLU 84 11.663 -2.861 3.661 698 2HG GLU 84 2HG GLU 84 11.723 -1.116 3.434 699 H GLU 85 H GLU 85 13.237 -2.235 -1.212 700 HA GLU 85 HA GLU 85 16.145 -2.341 -0.730 701 1HB GLU 85 1HB GLU 85 15.094 -4.101 -1.935 702 2HB GLU 85 2HB GLU 85 14.512 -2.968 -3.168 703 1HG GLU 85 1HG GLU 85 16.516 -4.099 -3.902 704 2HG GLU 85 2HG GLU 85 16.818 -2.348 -3.689 705 H ALA 86 H ALA 86 14.022 -0.568 -3.021 706 HA ALA 86 HA ALA 86 16.040 0.637 -4.416 707 1HB ALA 86 3HB ALA 86 13.566 0.566 -5.006 708 2HB ALA 86 1HB ALA 86 13.364 1.995 -3.963 709 3HB ALA 86 2HB ALA 86 14.401 2.073 -5.391 710 H PHE 87 H PHE 87 14.539 1.824 -1.493 711 HA PHE 87 HA PHE 87 15.506 4.554 -1.598 712 1HB PHE 87 1HB PHE 87 14.049 2.861 0.282 713 2HB PHE 87 2HB PHE 87 15.403 3.601 1.130 714 HD1 PHE 87 1HD PHE 87 13.772 5.808 -1.369 715 HD2 PHE 87 2HD PHE 87 13.709 4.295 2.680 716 HE1 PHE 87 1HE PHE 87 12.821 7.953 -0.547 717 HE2 PHE 87 2HE PHE 87 12.324 6.222 3.360 718 HZ PHE 87 HZ PHE 87 12.117 8.178 1.791 719 H ARG 88 H ARG 88 16.616 1.831 0.382 720 HA ARG 88 HA ARG 88 19.093 2.960 1.106 721 1HB ARG 88 1HB ARG 88 17.743 1.265 2.263 722 2HB ARG 88 2HB ARG 88 18.162 0.053 1.065 723 1HG ARG 88 1HG ARG 88 20.086 1.537 2.939 724 2HG ARG 88 2HG ARG 88 19.362 -0.005 3.304 725 1HD ARG 88 1HD ARG 88 21.554 0.677 1.370 726 2HD ARG 88 2HD ARG 88 21.522 -0.606 2.553 727 HE ARG 88 HE ARG 88 20.844 -0.758 -0.210 728 1HH1 ARG 88 2HH2 ARG 88 19.584 -1.917 2.854 729 2HH1 ARG 88 1HH2 ARG 88 18.857 -3.359 2.185 730 1HH2 ARG 88 2HH1 ARG 88 19.824 -2.679 -1.142 731 2HH2 ARG 88 1HH1 ARG 88 18.940 -3.702 -0.180 732 H HIS 89 H HIS 89 18.171 0.993 -1.626 733 HA HIS 89 HA HIS 89 20.731 0.233 -2.581 734 1HB HIS 89 1HB HIS 89 18.368 -0.506 -3.290 735 2HB HIS 89 2HB HIS 89 18.323 0.956 -4.285 736 HD1 HIS 89 1HD HIS 89 19.600 -2.559 -4.152 737 HD2 HIS 89 2HD HIS 89 19.969 0.925 -6.487 738 HE1 HIS 89 1HE HIS 89 20.517 -3.291 -6.436 739 H LYS 90 H LYS 90 19.089 3.339 -2.510 740 HA LYS 90 HA LYS 90 20.908 4.460 -4.590 741 1HB LYS 90 1HB LYS 90 18.336 4.686 -4.521 742 2HB LYS 90 2HB LYS 90 18.587 5.891 -3.266 743 1HG LYS 90 1HG LYS 90 19.794 5.937 -6.087 744 2HG LYS 90 2HG LYS 90 18.278 6.699 -5.598 745 1HD LYS 90 1HD LYS 90 19.751 7.934 -3.785 746 2HD LYS 90 2HD LYS 90 21.124 7.415 -4.763 747 1HE LYS 90 1HE LYS 90 20.443 9.697 -5.328 748 2HE LYS 90 2HE LYS 90 20.218 8.635 -6.729 749 1HZ LYS 90 3HZ LYS 90 18.020 9.277 -4.863 750 2HZ LYS 90 1HZ LYS 90 18.289 10.215 -6.159 751 3HZ LYS 90 2HZ LYS 90 17.872 8.653 -6.358 752 H LEU 91 H LEU 91 19.830 4.969 -1.183 753 HA LEU 91 HA LEU 91 21.619 7.064 -0.711 754 1HB LEU 91 1HB LEU 91 19.683 5.461 0.836 755 2HB LEU 91 2HB LEU 91 20.885 6.393 1.749 756 HG LEU 91 HG LEU 91 20.111 8.460 0.975 757 1HD1 LEU 91 3HD1 LEU 91 18.522 6.962 -1.134 758 2HD1 LEU 91 1HD1 LEU 91 18.279 8.684 -0.748 759 3HD1 LEU 91 2HD1 LEU 91 19.820 8.143 -1.412 760 1HD2 LEU 91 1HD2 LEU 91 18.642 7.300 2.615 761 2HD2 LEU 91 2HD2 LEU 91 17.726 8.409 1.573 762 3HD2 LEU 91 3HD2 LEU 91 17.672 6.653 1.276 763 H ALA 92 H ALA 92 21.580 3.676 0.416 764 HA ALA 92 HA ALA 92 23.155 2.275 1.140 765 1HB ALA 92 3HB ALA 92 24.040 2.676 -1.140 766 2HB ALA 92 1HB ALA 92 25.110 3.936 -0.489 767 3HB ALA 92 2HB ALA 92 25.305 2.252 0.029 768 H MET 93 H MET 93 22.583 4.639 2.803 769 HA MET 93 HA MET 93 24.809 4.212 4.699 770 1HB MET 93 1HB MET 93 23.913 7.035 3.933 771 2HB MET 93 2HB MET 93 25.077 6.597 5.191 772 1HG MET 93 1HG MET 93 26.556 5.619 3.382 773 2HG MET 93 2HG MET 93 25.415 6.251 2.193 774 1HE MET 93 1HE MET 93 28.155 7.090 4.814 775 2HE MET 93 2HE MET 93 28.180 8.869 4.783 776 3HE MET 93 3HE MET 93 26.807 8.021 5.522 777 H ASP 94 H ASP 94 21.827 3.736 4.175 778 HA ASP 94 HA ASP 94 20.587 4.971 6.571 779 1HB ASP 94 1HB ASP 94 18.746 5.450 5.044 780 2HB ASP 94 2HB ASP 94 20.235 6.163 4.404 781 H THR 95 H THR 95 21.601 2.385 6.749 782 HA THR 95 HA THR 95 19.821 0.353 6.125 783 HB THR 95 HB THR 95 21.411 0.435 8.725 784 HG1 THR 95 1HG THR 95 23.269 0.082 7.433 785 1HG2 THR 95 3HG2 THR 95 20.240 -1.683 8.049 786 2HG2 THR 95 1HG2 THR 95 21.166 -1.690 6.533 787 3HG2 THR 95 2HG2 THR 95 22.005 -1.860 8.085 788 H TYR 96 H TYR 96 19.854 2.623 8.827 789 HA TYR 96 HA TYR 96 17.378 1.468 10.019 790 1HB TYR 96 1HB TYR 96 17.813 2.633 11.963 791 2HB TYR 96 2HB TYR 96 19.368 1.963 11.505 792 HD1 TYR 96 1HD TYR 96 21.052 3.559 10.256 793 HD2 TYR 96 2HD TYR 96 17.599 4.934 12.455 794 HE1 TYR 96 1HE TYR 96 21.942 5.857 10.219 795 HE2 TYR 96 2HE TYR 96 18.525 7.226 12.456 796 HH TYR 96 HH TYR 96 21.589 8.046 10.825 797 H LYS 97 H LYS 97 15.997 3.450 10.867 798 HA LYS 97 HA LYS 97 14.535 5.009 10.366 799 1HB LYS 97 1HB LYS 97 16.603 6.419 10.458 800 2HB LYS 97 2HB LYS 97 16.777 6.248 8.721 801 1HG LYS 97 1HG LYS 97 16.067 8.381 9.089 802 2HG LYS 97 2HG LYS 97 14.677 7.601 8.401 803 1HD LYS 97 1HD LYS 97 15.105 8.215 11.378 804 2HD LYS 97 2HD LYS 97 14.183 9.192 10.221 805 1HE LYS 97 1HE LYS 97 12.700 7.102 9.839 806 2HE LYS 97 2HE LYS 97 13.460 6.458 11.318 807 1HZ LYS 97 3HZ LYS 97 11.940 8.947 11.252 808 2HZ LYS 97 1HZ LYS 97 11.445 7.484 11.804 809 3HZ LYS 97 2HZ LYS 97 12.669 8.242 12.563 810 H LEU 98 H LEU 98 14.524 2.689 8.832 811 HA LEU 98 HA LEU 98 13.274 1.719 7.298 812 1HB LEU 98 1HB LEU 98 11.514 3.399 7.439 813 2HB LEU 98 2HB LEU 98 12.384 4.457 6.314 814 HG LEU 98 HG LEU 98 12.247 2.778 4.527 815 1HD1 LEU 98 3HD1 LEU 98 10.517 1.270 6.552 816 2HD1 LEU 98 1HD1 LEU 98 10.589 0.921 4.807 817 3HD1 LEU 98 2HD1 LEU 98 12.014 0.701 5.807 818 1HD2 LEU 98 1HD2 LEU 98 9.630 3.653 5.767 819 2HD2 LEU 98 2HD2 LEU 98 10.663 4.540 4.616 820 3HD2 LEU 98 3HD2 LEU 98 9.845 3.051 4.102 821 H ASN 99 H ASN 99 14.886 0.727 6.266 822 HA ASN 99 HA ASN 99 16.346 1.894 4.022 823 1HB ASN 99 2HB ASN 99 16.650 -0.493 3.329 824 2HB ASN 99 3HB ASN 99 17.305 -0.088 4.916 825 1HD2 ASN 99 2HD2 ASN 99 13.904 -2.485 4.965 826 2HD2 ASN 99 1HD2 ASN 99 13.852 -0.947 4.087 No H/Q in entry = 826 Start of MODEL 2 1 1H MET 0 2H MET 0 -22.733 8.033 -4.721 2 2H MET 0 3H MET 0 -21.778 8.579 -5.930 3 3H MET 0 1H MET 0 -22.704 7.215 -6.161 4 HA MET 0 HA MET 0 -21.420 5.888 -4.945 5 1HB MET 0 2HB MET 0 -20.431 6.676 -7.138 6 2HB MET 0 3HB MET 0 -19.532 7.893 -6.224 7 1HG MET 0 2HG MET 0 -17.940 6.329 -6.397 8 2HG MET 0 3HG MET 0 -18.643 5.773 -4.884 9 1HE MET 0 1HE MET 0 -19.934 3.795 -4.524 10 2HE MET 0 2HE MET 0 -21.197 3.874 -5.798 11 3HE MET 0 3HE MET 0 -20.141 2.453 -5.662 12 H ALA 1 H ALA 1 -21.505 5.933 -2.752 13 HA ALA 1 HA ALA 1 -20.580 5.954 -0.697 14 1HB ALA 1 3HB ALA 1 -18.383 5.785 -1.913 15 2HB ALA 1 1HB ALA 1 -18.225 7.551 -1.731 16 3HB ALA 1 2HB ALA 1 -18.312 6.527 -0.309 17 H ARG 2 H ARG 2 -22.601 7.467 -0.816 18 HA ARG 2 HA ARG 2 -23.720 9.308 -0.058 19 1HB ARG 2 1HB ARG 2 -21.949 9.113 1.823 20 2HB ARG 2 2HB ARG 2 -21.151 10.492 1.075 21 1HG ARG 2 1HG ARG 2 -24.082 10.535 1.955 22 2HG ARG 2 2HG ARG 2 -22.749 10.817 3.062 23 1HD ARG 2 1HD ARG 2 -22.158 12.528 0.890 24 2HD ARG 2 2HD ARG 2 -23.920 12.621 1.091 25 HE ARG 2 HE ARG 2 -23.612 13.988 2.813 26 1HH1 ARG 2 2HH2 ARG 2 -20.767 11.915 2.606 27 2HH1 ARG 2 1HH2 ARG 2 -19.748 12.970 3.542 28 1HH2 ARG 2 2HH1 ARG 2 -22.332 15.341 4.163 29 2HH2 ARG 2 1HH1 ARG 2 -20.677 14.938 4.512 30 H ILE 3 H ILE 3 -23.875 11.779 -0.716 31 HA ILE 3 HA ILE 3 -23.006 11.916 -3.455 32 HB ILE 3 HB ILE 3 -23.980 14.066 -3.571 33 1HG1 ILE 3 1HG1 ILE 3 -25.427 14.627 -1.342 34 2HG1 ILE 3 2HG1 ILE 3 -23.951 14.085 -0.578 35 1HG2 ILE 3 2HG2 ILE 3 -25.352 12.056 -3.770 36 2HG2 ILE 3 3HG2 ILE 3 -25.755 12.157 -2.038 37 3HG2 ILE 3 1HG2 ILE 3 -26.268 13.434 -3.155 38 1HD1 ILE 3 1HD1 ILE 3 -22.702 15.779 -2.034 39 2HD1 ILE 3 2HD1 ILE 3 -24.273 16.300 -2.658 40 3HD1 ILE 3 3HD1 ILE 3 -23.887 16.498 -0.942 41 H ASP 4 H ASP 4 -22.040 13.879 -0.649 42 HA ASP 4 HA ASP 4 -19.937 15.301 -1.679 43 1HB ASP 4 1HB ASP 4 -20.823 15.753 0.515 44 2HB ASP 4 2HB ASP 4 -20.359 14.130 1.070 45 HA PRO 5 HA PRO 5 -17.339 11.740 -2.540 46 1HB PRO 5 1HB PRO 5 -15.383 12.843 -4.008 47 2HB PRO 5 2HB PRO 5 -17.051 12.876 -4.564 48 1HG PRO 5 1HG PRO 5 -15.683 15.123 -3.066 49 2HG PRO 5 2HG PRO 5 -16.518 15.219 -4.641 50 1HD PRO 5 1HD PRO 5 -17.795 15.806 -2.321 51 2HD PRO 5 2HD PRO 5 -18.643 14.894 -3.607 52 H THR 6 H THR 6 -17.088 11.947 -0.035 53 HA THR 6 HA THR 6 -14.290 12.428 0.826 54 HB THR 6 HB THR 6 -16.764 11.416 2.284 55 HG1 THR 6 1HG THR 6 -16.636 13.677 1.821 56 1HG2 THR 6 3HG2 THR 6 -13.896 11.781 3.261 57 2HG2 THR 6 1HG2 THR 6 -15.311 11.830 4.339 58 3HG2 THR 6 2HG2 THR 6 -14.934 10.360 3.452 59 H LYS 7 H LYS 7 -14.153 11.120 -1.250 60 HA LYS 7 HA LYS 7 -14.272 8.240 -1.065 61 1HB LYS 7 1HB LYS 7 -14.448 9.353 -3.237 62 2HB LYS 7 2HB LYS 7 -12.951 10.223 -2.958 63 1HG LYS 7 1HG LYS 7 -12.353 8.623 -4.481 64 2HG LYS 7 2HG LYS 7 -11.736 7.935 -3.004 65 1HD LYS 7 1HD LYS 7 -14.358 7.242 -4.415 66 2HD LYS 7 2HD LYS 7 -12.870 6.311 -4.493 67 1HE LYS 7 1HE LYS 7 -13.135 6.152 -1.848 68 2HE LYS 7 2HE LYS 7 -14.837 6.532 -2.226 69 1HZ LYS 7 2HZ LYS 7 -14.823 4.644 -3.720 70 2HZ LYS 7 3HZ LYS 7 -13.320 4.199 -3.180 71 3HZ LYS 7 1HZ LYS 7 -14.606 4.272 -2.143 72 H LYS 8 H LYS 8 -11.502 10.497 -1.380 73 HA LYS 8 HA LYS 8 -9.706 8.874 0.294 74 1HB LYS 8 1HB LYS 8 -8.739 10.424 -1.351 75 2HB LYS 8 2HB LYS 8 -9.716 11.741 -0.703 76 1HG LYS 8 1HG LYS 8 -7.451 12.041 -0.003 77 2HG LYS 8 2HG LYS 8 -8.497 11.807 1.369 78 1HD LYS 8 1HD LYS 8 -6.400 10.642 1.709 79 2HD LYS 8 2HD LYS 8 -7.709 9.468 1.626 80 1HE LYS 8 1HE LYS 8 -5.694 8.712 0.402 81 2HE LYS 8 2HE LYS 8 -7.080 8.872 -0.686 82 1HZ LYS 8 3HZ LYS 8 -4.976 10.962 -0.425 83 2HZ LYS 8 1HZ LYS 8 -4.990 9.788 -1.572 84 3HZ LYS 8 2HZ LYS 8 -6.163 10.891 -1.537 85 H GLY 9 H GLY 9 -10.024 8.824 2.568 86 1HA GLY 9 1HA GLY 9 -10.944 11.378 3.797 87 2HA GLY 9 2HA GLY 9 -11.462 9.786 4.404 88 H ARG 10 H ARG 10 -10.175 8.949 5.844 89 HA ARG 10 HA ARG 10 -7.522 10.134 6.365 90 1HB ARG 10 1HB ARG 10 -9.373 10.027 8.091 91 2HB ARG 10 2HB ARG 10 -9.183 8.288 8.108 92 1HG ARG 10 1HG ARG 10 -7.974 9.231 9.974 93 2HG ARG 10 2HG ARG 10 -6.808 8.551 8.836 94 1HD ARG 10 1HD ARG 10 -6.092 10.734 9.768 95 2HD ARG 10 2HD ARG 10 -6.216 10.745 8.014 96 HE ARG 10 HE ARG 10 -8.668 11.653 9.348 97 1HH1 ARG 10 2HH2 ARG 10 -5.537 12.781 7.980 98 2HH1 ARG 10 1HH2 ARG 10 -5.740 14.364 8.681 99 1HH2 ARG 10 2HH1 ARG 10 -9.158 13.926 9.483 100 2HH2 ARG 10 1HH1 ARG 10 -8.032 15.041 8.734 101 H ARG 11 H ARG 11 -5.951 9.037 5.263 102 HA ARG 11 HA ARG 11 -6.206 6.411 4.377 103 1HB ARG 11 1HB ARG 11 -4.555 8.412 3.677 104 2HB ARG 11 2HB ARG 11 -3.457 7.539 4.741 105 1HG ARG 11 1HG ARG 11 -4.574 5.505 3.112 106 2HG ARG 11 2HG ARG 11 -4.500 6.888 2.035 107 1HD ARG 11 1HD ARG 11 -2.216 5.715 3.672 108 2HD ARG 11 2HD ARG 11 -2.419 5.489 1.937 109 HE ARG 11 HE ARG 11 -1.306 7.768 3.395 110 1HH1 ARG 11 2HH2 ARG 11 -2.853 6.865 0.319 111 2HH1 ARG 11 1HH2 ARG 11 -2.072 8.165 -0.561 112 1HH2 ARG 11 2HH1 ARG 11 -0.304 9.436 2.208 113 2HH2 ARG 11 1HH1 ARG 11 -1.022 9.925 0.699 114 H ASN 12 H ASN 12 -4.112 4.869 4.949 115 HA ASN 12 HA ASN 12 -3.466 3.246 6.335 116 1HB ASN 12 1HB ASN 12 -2.154 5.138 7.258 117 2HB ASN 12 2HB ASN 12 -3.389 5.371 8.502 118 1HD2 ASN 12 2HD2 ASN 12 -1.721 3.005 10.527 119 2HD2 ASN 12 1HD2 ASN 12 -2.865 4.355 10.416 120 H ARG 13 H ARG 13 -6.442 4.146 6.249 121 HA ARG 13 HA ARG 13 -7.679 2.908 8.525 122 1HB ARG 13 1HB ARG 13 -9.614 2.810 7.130 123 2HB ARG 13 2HB ARG 13 -8.845 4.378 6.997 124 1HG ARG 13 1HG ARG 13 -9.340 4.035 4.806 125 2HG ARG 13 2HG ARG 13 -7.765 3.258 4.796 126 1HD ARG 13 1HD ARG 13 -9.272 1.071 5.418 127 2HD ARG 13 2HD ARG 13 -10.566 2.097 4.846 128 HE ARG 13 HE ARG 13 -8.217 1.790 3.045 129 1HH1 ARG 13 2HH2 ARG 13 -11.672 1.054 3.446 130 2HH1 ARG 13 1HH2 ARG 13 -11.631 -0.197 2.234 131 1HH2 ARG 13 2HH1 ARG 13 -8.228 0.365 1.427 132 2HH2 ARG 13 1HH1 ARG 13 -9.605 -0.652 1.035 133 H PHE 14 H PHE 14 -6.559 1.812 5.364 134 HA PHE 14 HA PHE 14 -6.883 -1.032 5.974 135 1HB PHE 14 1HB PHE 14 -7.037 -0.234 3.665 136 2HB PHE 14 2HB PHE 14 -5.400 0.422 3.755 137 HD1 PHE 14 1HD PHE 14 -3.436 -1.284 4.172 138 HD2 PHE 14 2HD PHE 14 -7.458 -2.597 3.275 139 HE1 PHE 14 1HE PHE 14 -2.562 -3.405 3.274 140 HE2 PHE 14 2HE PHE 14 -6.545 -4.680 2.347 141 HZ PHE 14 HZ PHE 14 -4.073 -4.953 2.074 142 H LYS 15 H LYS 15 -5.420 -2.231 6.862 143 HA LYS 15 HA LYS 15 -2.552 -1.687 6.799 144 1HB LYS 15 1HB LYS 15 -2.409 -2.897 9.023 145 2HB LYS 15 2HB LYS 15 -2.966 -1.231 9.145 146 1HG LYS 15 1HG LYS 15 -5.171 -3.231 8.819 147 2HG LYS 15 2HG LYS 15 -4.198 -3.484 10.241 148 1HD LYS 15 1HD LYS 15 -5.229 -0.691 9.638 149 2HD LYS 15 2HD LYS 15 -6.311 -1.917 10.327 150 1HE LYS 15 1HE LYS 15 -4.853 -2.302 12.225 151 2HE LYS 15 2HE LYS 15 -3.607 -1.228 11.570 152 1HZ LYS 15 3HZ LYS 15 -6.319 -0.284 12.271 153 2HZ LYS 15 1HZ LYS 15 -5.103 -0.369 13.349 154 3HZ LYS 15 2HZ LYS 15 -4.930 0.609 12.034 155 H TRP 16 H TRP 16 -1.596 -4.087 7.013 156 HA TRP 16 HA TRP 16 -3.424 -6.018 5.684 157 1HB TRP 16 1HB TRP 16 -0.527 -6.163 6.554 158 2HB TRP 16 2HB TRP 16 -1.438 -7.566 6.016 159 HD1 TRP 16 HD TRP 16 0.255 -4.506 4.643 160 HE1 TRP 16 1HE TRP 16 0.202 -4.548 2.082 161 HE3 TRP 16 3HE TRP 16 -2.810 -8.549 3.963 162 HZ2 TRP 16 2HZ TRP 16 -1.274 -5.904 0.055 163 HZ3 TRP 16 3HZ TRP 16 -3.241 -9.378 1.674 164 HH2 TRP 16 HH TRP 16 -2.595 -8.013 -0.288 165 H GLY 17 H GLY 17 -2.936 -8.339 7.077 166 1HA GLY 17 1HA GLY 17 -3.549 -7.919 9.909 167 2HA GLY 17 2HA GLY 17 -4.856 -8.580 8.895 168 HA PRO 18 HA PRO 18 -1.893 -11.988 10.125 169 1HB PRO 18 1HB PRO 18 -3.510 -13.475 11.759 170 2HB PRO 18 2HB PRO 18 -2.579 -12.055 12.324 171 1HG PRO 18 1HG PRO 18 -5.481 -12.136 11.480 172 2HG PRO 18 2HG PRO 18 -4.800 -11.410 12.960 173 1HD PRO 18 1HD PRO 18 -5.365 -9.934 10.737 174 2HD PRO 18 2HD PRO 18 -3.942 -9.560 11.752 175 H ALA 19 H ALA 19 -2.072 -14.175 9.427 176 HA ALA 19 HA ALA 19 -2.533 -15.950 8.230 177 1HB ALA 19 1HB ALA 19 -4.780 -15.859 9.145 178 2HB ALA 19 2HB ALA 19 -5.304 -14.808 7.800 179 3HB ALA 19 3HB ALA 19 -4.721 -16.461 7.464 180 H SER 20 H SER 20 -4.027 -13.107 6.896 181 HA SER 20 HA SER 20 -3.173 -12.869 4.286 182 1HB SER 20 1HB SER 20 -3.768 -11.141 6.575 183 2HB SER 20 2HB SER 20 -2.469 -10.453 5.593 184 HG SER 20 HG SER 20 -5.058 -11.322 4.769 185 H GLN 21 H GLN 21 -1.117 -12.474 7.269 186 HA GLN 21 HA GLN 21 1.232 -11.692 5.908 187 1HB GLN 21 1HB GLN 21 1.069 -13.392 8.427 188 2HB GLN 21 2HB GLN 21 2.486 -12.515 7.840 189 1HG GLN 21 1HG GLN 21 -0.097 -11.331 8.903 190 2HG GLN 21 2HG GLN 21 1.514 -11.261 9.613 191 1HE2 GLN 21 2HE2 GLN 21 0.444 -8.511 6.821 192 2HE2 GLN 21 1HE2 GLN 21 -0.650 -9.783 7.365 193 H GLN 22 H GLN 22 0.260 -15.058 6.810 194 HA GLN 22 HA GLN 22 2.444 -16.362 5.528 195 1HB GLN 22 1HB GLN 22 1.122 -17.672 6.986 196 2HB GLN 22 2HB GLN 22 -0.381 -17.239 6.152 197 1HG GLN 22 1HG GLN 22 0.194 -19.502 5.691 198 2HG GLN 22 2HG GLN 22 0.277 -18.600 4.193 199 1HE2 GLN 22 2HE2 GLN 22 3.810 -19.209 3.717 200 2HE2 GLN 22 1HE2 GLN 22 2.545 -18.064 3.374 201 H ILE 23 H ILE 23 -0.819 -15.454 4.312 202 HA ILE 23 HA ILE 23 -0.412 -16.617 1.769 203 HB ILE 23 HB ILE 23 -2.289 -14.488 2.784 204 1HG1 ILE 23 1HG1 ILE 23 -2.660 -17.364 1.817 205 2HG1 ILE 23 2HG1 ILE 23 -2.308 -16.972 3.502 206 1HG2 ILE 23 2HG2 ILE 23 -2.168 -15.702 -0.014 207 2HG2 ILE 23 3HG2 ILE 23 -3.549 -14.804 0.644 208 3HG2 ILE 23 1HG2 ILE 23 -2.018 -13.980 0.414 209 1HD1 ILE 23 2HD1 ILE 23 -4.365 -15.613 3.616 210 2HD1 ILE 23 3HD1 ILE 23 -4.766 -16.174 1.966 211 3HD1 ILE 23 1HD1 ILE 23 -4.618 -17.346 3.277 212 H LEU 24 H LEU 24 0.284 -13.259 2.796 213 HA LEU 24 HA LEU 24 1.332 -12.270 0.346 214 1HB LEU 24 1HB LEU 24 2.090 -11.826 3.280 215 2HB LEU 24 2HB LEU 24 2.833 -10.953 1.963 216 HG LEU 24 HG LEU 24 -0.092 -10.812 2.790 217 1HD1 LEU 24 1HD1 LEU 24 1.571 -9.608 4.188 218 2HD1 LEU 24 2HD1 LEU 24 2.167 -8.783 2.735 219 3HD1 LEU 24 3HD1 LEU 24 0.514 -8.496 3.297 220 1HD2 LEU 24 3HD2 LEU 24 1.333 -9.881 0.326 221 2HD2 LEU 24 1HD2 LEU 24 -0.289 -10.568 0.489 222 3HD2 LEU 24 2HD2 LEU 24 0.031 -8.897 1.005 223 H PHE 25 H PHE 25 2.981 -14.081 2.993 224 HA PHE 25 HA PHE 25 5.464 -14.249 1.600 225 1HB PHE 25 1HB PHE 25 4.344 -16.097 3.731 226 2HB PHE 25 2HB PHE 25 5.985 -16.121 3.132 227 HD1 PHE 25 1HD PHE 25 7.078 -13.532 3.087 228 HD2 PHE 25 2HD PHE 25 4.248 -15.155 5.911 229 HE1 PHE 25 1HE PHE 25 7.904 -11.975 4.823 230 HE2 PHE 25 2HE PHE 25 5.080 -13.612 7.640 231 HZ PHE 25 HZ PHE 25 6.939 -12.036 7.117 232 H GLN 26 H GLN 26 2.539 -16.285 1.353 233 HA GLN 26 HA GLN 26 3.739 -18.553 0.261 234 1HB GLN 26 1HB GLN 26 1.658 -19.360 -0.178 235 2HB GLN 26 2HB GLN 26 1.200 -18.026 0.872 236 1HG GLN 26 1HG GLN 26 0.772 -16.665 -1.314 237 2HG GLN 26 2HG GLN 26 1.161 -18.137 -2.169 238 1HE2 GLN 26 2HE2 GLN 26 -2.266 -18.901 -0.144 239 2HE2 GLN 26 1HE2 GLN 26 -0.761 -18.784 0.729 240 H ALA 27 H ALA 27 2.815 -15.494 -1.248 241 HA ALA 27 HA ALA 27 3.626 -16.351 -3.941 242 1HB ALA 27 1HB ALA 27 2.882 -13.628 -2.845 243 2HB ALA 27 2HB ALA 27 3.179 -14.036 -4.557 244 3HB ALA 27 3HB ALA 27 1.812 -14.774 -3.697 245 H TYR 28 H TYR 28 4.858 -14.008 -1.437 246 HA TYR 28 HA TYR 28 7.013 -13.123 -2.934 247 1HB TYR 28 1HB TYR 28 6.111 -12.497 -0.502 248 2HB TYR 28 2HB TYR 28 7.456 -13.479 0.022 249 HD1 TYR 28 1HD TYR 28 9.841 -12.799 -0.697 250 HD2 TYR 28 2HD TYR 28 6.408 -10.305 -1.445 251 HE1 TYR 28 1HE TYR 28 11.328 -10.905 -1.299 252 HE2 TYR 28 2HE TYR 28 7.901 -8.397 -1.928 253 HH TYR 28 HH TYR 28 11.433 -8.665 -1.829 254 H GLU 29 H GLU 29 6.793 -16.058 -1.019 255 HA GLU 29 HA GLU 29 9.370 -17.141 -1.117 256 1HB GLU 29 1HB GLU 29 7.392 -18.080 0.011 257 2HB GLU 29 2HB GLU 29 6.607 -18.381 -1.536 258 1HG GLU 29 1HG GLU 29 8.396 -20.029 -2.083 259 2HG GLU 29 2HG GLU 29 9.134 -19.729 -0.508 260 H ARG 30 H ARG 30 6.762 -17.632 -3.580 261 HA ARG 30 HA ARG 30 8.748 -18.694 -5.451 262 1HB ARG 30 1HB ARG 30 5.739 -18.519 -5.363 263 2HB ARG 30 2HB ARG 30 6.544 -18.775 -6.920 264 1HG ARG 30 1HG ARG 30 7.540 -20.784 -6.290 265 2HG ARG 30 2HG ARG 30 7.375 -20.470 -4.560 266 1HD ARG 30 1HD ARG 30 4.959 -20.889 -6.371 267 2HD ARG 30 2HD ARG 30 5.772 -22.239 -5.594 268 HE ARG 30 HE ARG 30 3.988 -20.284 -4.376 269 1HH1 ARG 30 2HH2 ARG 30 6.505 -22.705 -3.732 270 2HH1 ARG 30 1HH2 ARG 30 6.488 -22.461 -2.015 271 1HH2 ARG 30 2HH1 ARG 30 4.094 -19.910 -2.102 272 2HH2 ARG 30 1HH1 ARG 30 5.027 -20.918 -1.060 273 H GLN 31 H GLN 31 6.236 -16.112 -5.842 274 HA GLN 31 HA GLN 31 8.199 -14.742 -7.617 275 1HB GLN 31 1HB GLN 31 6.805 -14.349 -9.363 276 2HB GLN 31 2HB GLN 31 6.697 -16.076 -9.021 277 1HG GLN 31 1HG GLN 31 4.475 -15.618 -7.891 278 2HG GLN 31 2HG GLN 31 4.635 -13.924 -8.409 279 1HE2 GLN 31 2HE2 GLN 31 2.628 -15.748 -11.022 280 2HE2 GLN 31 1HE2 GLN 31 2.394 -15.394 -9.319 281 H LYS 32 H LYS 32 8.328 -12.657 -7.532 282 HA LYS 32 HA LYS 32 6.417 -11.002 -6.011 283 1HB LYS 32 1HB LYS 32 8.304 -9.886 -4.880 284 2HB LYS 32 2HB LYS 32 8.117 -11.545 -4.338 285 1HG LYS 32 1HG LYS 32 10.079 -11.229 -6.575 286 2HG LYS 32 2HG LYS 32 10.461 -10.306 -5.138 287 1HD LYS 32 1HD LYS 32 11.617 -12.352 -4.984 288 2HD LYS 32 2HD LYS 32 10.362 -12.358 -3.741 289 1HE LYS 32 1HE LYS 32 8.974 -13.857 -5.089 290 2HE LYS 32 2HE LYS 32 10.119 -13.761 -6.454 291 1HZ LYS 32 1HZ LYS 32 10.694 -14.930 -3.805 292 2HZ LYS 32 2HZ LYS 32 10.303 -15.783 -5.139 293 3HZ LYS 32 3HZ LYS 32 11.711 -14.931 -5.078 294 H ASN 33 H ASN 33 6.216 -11.188 -8.593 295 HA ASN 33 HA ASN 33 8.067 -9.352 -10.043 296 1HB ASN 33 1HB ASN 33 7.483 -12.280 -10.685 297 2HB ASN 33 2HB ASN 33 8.311 -11.132 -11.735 298 1HD2 ASN 33 2HD2 ASN 33 10.526 -13.188 -9.140 299 2HD2 ASN 33 1HD2 ASN 33 8.982 -13.702 -9.830 300 HA PRO 34 HA PRO 34 3.645 -9.347 -10.435 301 1HB PRO 34 1HB PRO 34 2.995 -6.651 -10.650 302 2HB PRO 34 2HB PRO 34 3.411 -7.495 -9.128 303 1HG PRO 34 1HG PRO 34 5.216 -5.862 -10.874 304 2HG PRO 34 2HG PRO 34 5.073 -5.832 -9.096 305 1HD PRO 34 1HD PRO 34 7.056 -7.221 -10.382 306 2HD PRO 34 2HD PRO 34 6.341 -7.812 -8.873 307 H SER 35 H SER 35 3.758 -10.563 -12.271 308 HA SER 35 HA SER 35 3.331 -9.135 -14.841 309 1HB SER 35 1HB SER 35 3.382 -12.118 -14.175 310 2HB SER 35 2HB SER 35 3.218 -11.390 -15.788 311 HG SER 35 HG SER 35 5.227 -10.301 -15.336 312 H LYS 36 H LYS 36 1.402 -11.920 -13.727 313 HA LYS 36 HA LYS 36 -1.086 -10.235 -13.771 314 1HB LYS 36 1HB LYS 36 -0.415 -12.815 -15.274 315 2HB LYS 36 2HB LYS 36 -2.065 -12.236 -15.043 316 1HG LYS 36 1HG LYS 36 0.115 -10.623 -16.459 317 2HG LYS 36 2HG LYS 36 -0.965 -11.726 -17.294 318 1HD LYS 36 1HD LYS 36 -1.990 -9.365 -15.641 319 2HD LYS 36 2HD LYS 36 -1.592 -9.299 -17.360 320 1HE LYS 36 1HE LYS 36 -3.251 -11.200 -17.752 321 2HE LYS 36 2HE LYS 36 -3.718 -11.059 -16.049 322 1HZ LYS 36 2HZ LYS 36 -3.979 -8.874 -18.031 323 2HZ LYS 36 3HZ LYS 36 -5.184 -9.867 -17.515 324 3HZ LYS 36 1HZ LYS 36 -4.468 -8.864 -16.448 325 H GLU 37 H GLU 37 -1.165 -13.701 -13.611 326 HA GLU 37 HA GLU 37 -3.086 -13.683 -11.981 327 1HB GLU 37 1HB GLU 37 -1.007 -15.581 -12.985 328 2HB GLU 37 2HB GLU 37 -1.538 -15.985 -11.403 329 1HG GLU 37 1HG GLU 37 -3.168 -15.881 -13.915 330 2HG GLU 37 2HG GLU 37 -2.939 -17.230 -12.800 331 H GLU 38 H GLU 38 0.260 -13.945 -10.878 332 HA GLU 38 HA GLU 38 0.434 -14.441 -8.338 333 1HB GLU 38 1HB GLU 38 2.200 -13.142 -9.770 334 2HB GLU 38 2HB GLU 38 1.188 -11.734 -9.658 335 1HG GLU 38 1HG GLU 38 1.605 -11.770 -7.115 336 2HG GLU 38 2HG GLU 38 2.858 -12.962 -7.442 337 H ARG 39 H ARG 39 -0.820 -11.241 -9.180 338 HA ARG 39 HA ARG 39 -1.334 -10.709 -6.363 339 1HB ARG 39 1HB ARG 39 -2.054 -9.104 -8.807 340 2HB ARG 39 2HB ARG 39 -2.214 -8.521 -7.144 341 1HG ARG 39 1HG ARG 39 0.244 -8.818 -6.751 342 2HG ARG 39 2HG ARG 39 0.378 -9.571 -8.308 343 1HD ARG 39 1HD ARG 39 -0.425 -6.702 -7.837 344 2HD ARG 39 2HD ARG 39 1.160 -7.243 -8.425 345 HE ARG 39 HE ARG 39 -1.381 -7.035 -9.875 346 1HH1 ARG 39 2HH2 ARG 39 1.562 -9.053 -9.737 347 2HH1 ARG 39 1HH2 ARG 39 1.423 -9.512 -11.399 348 1HH2 ARG 39 2HH1 ARG 39 -1.451 -7.618 -12.133 349 2HH2 ARG 39 1HH1 ARG 39 -0.067 -8.351 -12.863 350 H GLU 40 H GLU 40 -3.165 -11.271 -9.252 351 HA GLU 40 HA GLU 40 -5.787 -10.932 -8.288 352 1HB GLU 40 1HB GLU 40 -5.490 -12.673 -10.561 353 2HB GLU 40 2HB GLU 40 -6.390 -11.176 -10.375 354 1HG GLU 40 1HG GLU 40 -4.001 -10.023 -10.514 355 2HG GLU 40 2HG GLU 40 -3.433 -11.604 -11.099 356 H THR 41 H THR 41 -3.947 -13.842 -8.714 357 HA THR 41 HA THR 41 -5.170 -15.822 -7.227 358 HB THR 41 HB THR 41 -2.353 -15.059 -7.884 359 HG1 THR 41 1HG THR 41 -3.707 -16.184 -9.384 360 1HG2 THR 41 1HG2 THR 41 -3.002 -17.225 -5.918 361 2HG2 THR 41 2HG2 THR 41 -1.510 -17.133 -6.901 362 3HG2 THR 41 3HG2 THR 41 -1.867 -15.861 -5.749 363 H LEU 42 H LEU 42 -2.749 -13.518 -6.005 364 HA LEU 42 HA LEU 42 -2.738 -14.486 -3.363 365 1HB LEU 42 1HB LEU 42 -1.886 -12.013 -4.779 366 2HB LEU 42 2HB LEU 42 -2.106 -11.803 -3.072 367 HG LEU 42 HG LEU 42 -0.423 -14.080 -4.123 368 1HD1 LEU 42 2HD1 LEU 42 0.116 -11.230 -4.323 369 2HD1 LEU 42 3HD1 LEU 42 1.231 -11.960 -3.166 370 3HD1 LEU 42 1HD1 LEU 42 1.108 -12.597 -4.830 371 1HD2 LEU 42 1HD2 LEU 42 -0.560 -12.540 -1.471 372 2HD2 LEU 42 2HD2 LEU 42 -1.131 -14.198 -1.755 373 3HD2 LEU 42 3HD2 LEU 42 0.597 -13.830 -1.839 374 H VAL 43 H VAL 43 -4.644 -11.888 -4.798 375 HA VAL 43 HA VAL 43 -5.864 -10.936 -2.399 376 HB VAL 43 HB VAL 43 -6.786 -10.901 -5.305 377 1HG1 VAL 43 3HG1 VAL 43 -7.742 -9.449 -2.825 378 2HG1 VAL 43 1HG1 VAL 43 -8.206 -8.965 -4.474 379 3HG1 VAL 43 2HG1 VAL 43 -8.710 -10.541 -3.834 380 1HG2 VAL 43 1HG2 VAL 43 -4.584 -9.620 -4.548 381 2HG2 VAL 43 2HG2 VAL 43 -5.848 -8.827 -5.509 382 3HG2 VAL 43 3HG2 VAL 43 -5.712 -8.533 -3.757 383 H GLU 44 H GLU 44 -6.694 -13.444 -4.807 384 HA GLU 44 HA GLU 44 -9.233 -14.164 -3.771 385 1HB GLU 44 1HB GLU 44 -7.408 -15.034 -5.813 386 2HB GLU 44 2HB GLU 44 -7.562 -16.426 -4.783 387 1HG GLU 44 1HG GLU 44 -9.474 -15.123 -6.664 388 2HG GLU 44 2HG GLU 44 -9.142 -16.825 -6.350 389 H GLU 45 H GLU 45 -6.098 -15.754 -3.199 390 HA GLU 45 HA GLU 45 -7.000 -17.507 -1.237 391 1HB GLU 45 1HB GLU 45 -4.473 -16.645 -2.311 392 2HB GLU 45 2HB GLU 45 -4.302 -16.801 -0.560 393 1HG GLU 45 1HG GLU 45 -5.487 -18.988 -2.299 394 2HG GLU 45 2HG GLU 45 -3.769 -18.864 -1.921 395 H CYS 46 H CYS 46 -5.615 -14.280 -0.869 396 HA CYS 46 HA CYS 46 -5.641 -13.966 1.941 397 1HB CYS 46 1HB CYS 46 -4.681 -12.243 0.500 398 2HB CYS 46 2HB CYS 46 -6.248 -11.904 -0.229 399 HG CYS 46 HG CYS 46 -5.549 -11.709 2.995 400 H ASN 47 H ASN 47 -8.193 -13.279 -0.417 401 HA ASN 47 HA ASN 47 -10.101 -12.278 1.493 402 1HB ASN 47 1HB ASN 47 -10.077 -13.011 -1.432 403 2HB ASN 47 2HB ASN 47 -11.615 -13.003 -0.669 404 1HD2 ASN 47 2HD2 ASN 47 -9.556 -9.452 -1.222 405 2HD2 ASN 47 1HD2 ASN 47 -8.899 -11.039 -1.605 406 H ARG 48 H ARG 48 -9.587 -15.556 0.099 407 HA ARG 48 HA ARG 48 -11.825 -16.754 1.386 408 1HB ARG 48 1HB ARG 48 -10.250 -17.865 -0.234 409 2HB ARG 48 2HB ARG 48 -9.030 -17.934 1.014 410 1HG ARG 48 1HG ARG 48 -9.980 -20.064 1.048 411 2HG ARG 48 2HG ARG 48 -10.613 -19.268 2.481 412 1HD ARG 48 1HD ARG 48 -12.358 -20.565 1.348 413 2HD ARG 48 2HD ARG 48 -12.773 -18.847 1.287 414 HE ARG 48 HE ARG 48 -11.284 -19.351 -1.043 415 1HH1 ARG 48 2HH2 ARG 48 -14.222 -20.929 0.109 416 2HH1 ARG 48 1HH2 ARG 48 -15.123 -20.607 -1.340 417 1HH2 ARG 48 2HH1 ARG 48 -12.110 -19.400 -2.931 418 2HH2 ARG 48 1HH1 ARG 48 -13.701 -19.980 -3.353 419 H ALA 49 H ALA 49 -8.410 -16.427 2.511 420 HA ALA 49 HA ALA 49 -8.890 -17.424 5.107 421 1HB ALA 49 2HB ALA 49 -6.813 -15.420 4.166 422 2HB ALA 49 3HB ALA 49 -6.796 -16.271 5.728 423 3HB ALA 49 1HB ALA 49 -6.678 -17.193 4.216 424 H GLU 50 H GLU 50 -9.444 -14.122 3.790 425 HA GLU 50 HA GLU 50 -9.673 -12.932 6.415 426 1HB GLU 50 1HB GLU 50 -9.286 -11.895 3.902 427 2HB GLU 50 2HB GLU 50 -11.032 -11.709 4.051 428 1HG GLU 50 1HG GLU 50 -10.224 -9.704 4.995 429 2HG GLU 50 2HG GLU 50 -10.337 -10.684 6.457 430 H CYS 51 H CYS 51 -11.789 -14.432 3.993 431 HA CYS 51 HA CYS 51 -14.187 -13.759 5.237 432 1HB CYS 51 1HB CYS 51 -15.285 -15.063 3.757 433 2HB CYS 51 2HB CYS 51 -13.765 -15.012 2.860 434 HG CYS 51 HG CYS 51 -15.219 -17.346 2.978 435 H ILE 52 H ILE 52 -11.916 -16.461 5.794 436 HA ILE 52 HA ILE 52 -13.684 -17.856 7.590 437 HB ILE 52 HB ILE 52 -10.626 -17.824 7.331 438 1HG1 ILE 52 1HG1 ILE 52 -12.619 -19.913 6.337 439 2HG1 ILE 52 2HG1 ILE 52 -11.954 -18.631 5.328 440 1HG2 ILE 52 3HG2 ILE 52 -11.231 -18.640 9.568 441 2HG2 ILE 52 1HG2 ILE 52 -12.341 -19.823 8.836 442 3HG2 ILE 52 2HG2 ILE 52 -10.588 -19.940 8.583 443 1HD1 ILE 52 1HD1 ILE 52 -9.625 -19.464 5.925 444 2HD1 ILE 52 2HD1 ILE 52 -10.405 -20.915 6.580 445 3HD1 ILE 52 3HD1 ILE 52 -10.601 -20.488 4.870 446 H GLN 53 H GLN 53 -11.271 -15.286 7.996 447 HA GLN 53 HA GLN 53 -11.191 -15.325 10.783 448 1HB GLN 53 1HB GLN 53 -10.932 -12.792 9.114 449 2HB GLN 53 2HB GLN 53 -10.447 -13.030 10.800 450 1HG GLN 53 1HG GLN 53 -9.068 -15.074 9.842 451 2HG GLN 53 2HG GLN 53 -9.213 -14.199 8.318 452 1HE2 GLN 53 2HE2 GLN 53 -6.506 -12.134 9.059 453 2HE2 GLN 53 1HE2 GLN 53 -7.781 -12.409 7.917 454 H ARG 54 H ARG 54 -13.827 -13.911 8.821 455 HA ARG 54 HA ARG 54 -15.344 -13.555 11.363 456 1HB ARG 54 1HB ARG 54 -16.198 -11.524 10.505 457 2HB ARG 54 2HB ARG 54 -14.422 -11.477 10.509 458 1HG ARG 54 1HG ARG 54 -14.395 -11.821 8.055 459 2HG ARG 54 2HG ARG 54 -16.161 -11.958 8.076 460 1HD ARG 54 1HD ARG 54 -15.562 -9.676 7.409 461 2HD ARG 54 2HD ARG 54 -16.336 -9.645 8.994 462 HE ARG 54 HE ARG 54 -13.546 -9.901 9.428 463 1HH1 ARG 54 2HH2 ARG 54 -15.709 -7.422 7.988 464 2HH1 ARG 54 1HH2 ARG 54 -14.784 -6.122 8.645 465 1HH2 ARG 54 2HH1 ARG 54 -12.383 -8.254 10.175 466 2HH2 ARG 54 1HH1 ARG 54 -12.693 -6.587 9.816 467 H GLY 55 H GLY 55 -15.281 -15.665 9.063 468 1HA GLY 55 1HA GLY 55 -16.870 -17.022 8.150 469 2HA GLY 55 2HA GLY 55 -18.159 -16.040 8.811 470 H VAL 56 H VAL 56 -18.071 -13.654 7.740 471 HA VAL 56 HA VAL 56 -18.765 -12.456 5.925 472 HB VAL 56 HB VAL 56 -16.229 -13.680 5.221 473 1HG1 VAL 56 1HG1 VAL 56 -17.255 -14.166 3.078 474 2HG1 VAL 56 2HG1 VAL 56 -17.713 -12.440 2.907 475 3HG1 VAL 56 3HG1 VAL 56 -16.013 -12.924 2.949 476 1HG2 VAL 56 1HG2 VAL 56 -16.744 -11.251 6.157 477 2HG2 VAL 56 2HG2 VAL 56 -15.364 -11.583 5.130 478 3HG2 VAL 56 3HG2 VAL 56 -16.820 -10.851 4.441 479 H SER 57 H SER 57 -19.802 -12.524 3.685 480 HA SER 57 HA SER 57 -21.338 -15.006 3.305 481 1HB SER 57 1HB SER 57 -21.621 -12.245 2.544 482 2HB SER 57 2HB SER 57 -21.673 -13.284 1.114 483 HG SER 57 HG SER 57 -23.230 -13.682 3.463 484 HA PRO 58 HA PRO 58 -17.718 -16.579 1.419 485 1HB PRO 58 1HB PRO 58 -18.658 -18.609 -0.240 486 2HB PRO 58 2HB PRO 58 -18.553 -18.703 1.540 487 1HG PRO 58 1HG PRO 58 -20.954 -17.964 -0.151 488 2HG PRO 58 2HG PRO 58 -20.882 -19.111 1.222 489 1HD PRO 58 1HD PRO 58 -21.773 -16.568 1.537 490 2HD PRO 58 2HD PRO 58 -20.739 -17.318 2.794 491 H SER 59 H SER 59 -20.282 -15.706 -0.895 492 HA SER 59 HA SER 59 -18.377 -15.356 -3.118 493 1HB SER 59 1HB SER 59 -20.673 -14.721 -4.180 494 2HB SER 59 2HB SER 59 -20.416 -16.406 -3.698 495 HG SER 59 HG SER 59 -22.180 -16.106 -2.577 496 H GLN 60 H GLN 60 -19.031 -13.527 -0.471 497 HA GLN 60 HA GLN 60 -18.785 -10.924 -1.909 498 1HB GLN 60 1HB GLN 60 -20.415 -11.601 0.565 499 2HB GLN 60 2HB GLN 60 -20.122 -9.967 0.015 500 1HG GLN 60 1HG GLN 60 -21.486 -11.952 -1.850 501 2HG GLN 60 2HG GLN 60 -22.375 -11.082 -0.600 502 1HE2 GLN 60 2HE2 GLN 60 -22.800 -8.567 -3.101 503 2HE2 GLN 60 1HE2 GLN 60 -23.597 -9.855 -2.235 504 H ALA 61 H ALA 61 -16.529 -12.320 -1.354 505 HA ALA 61 HA ALA 61 -15.558 -11.424 1.265 506 1HB ALA 61 1HB ALA 61 -14.478 -13.380 0.297 507 2HB ALA 61 2HB ALA 61 -13.903 -12.410 -1.080 508 3HB ALA 61 3HB ALA 61 -13.345 -12.080 0.572 509 H GLN 62 H GLN 62 -16.147 -10.000 -1.845 510 HA GLN 62 HA GLN 62 -14.676 -7.613 -1.562 511 1HB GLN 62 1HB GLN 62 -16.043 -6.640 -3.085 512 2HB GLN 62 2HB GLN 62 -16.401 -8.328 -3.408 513 1HG GLN 62 1HG GLN 62 -18.518 -7.424 -3.406 514 2HG GLN 62 2HG GLN 62 -18.420 -7.903 -1.716 515 1HE2 GLN 62 2HE2 GLN 62 -18.398 -3.886 -2.792 516 2HE2 GLN 62 1HE2 GLN 62 -18.346 -5.153 -3.998 517 H GLY 63 H GLY 63 -17.352 -8.831 0.352 518 1HA GLY 63 1HA GLY 63 -18.270 -6.454 1.540 519 2HA GLY 63 2HA GLY 63 -18.451 -8.115 2.147 520 H LEU 64 H LEU 64 -15.358 -8.317 2.230 521 HA LEU 64 HA LEU 64 -14.917 -7.937 4.900 522 1HB LEU 64 1HB LEU 64 -13.116 -7.896 2.478 523 2HB LEU 64 2HB LEU 64 -12.443 -7.392 4.015 524 HG LEU 64 HG LEU 64 -11.953 -9.682 3.649 525 1HD1 LEU 64 2HD1 LEU 64 -12.320 -8.956 5.963 526 2HD1 LEU 64 3HD1 LEU 64 -13.970 -9.619 5.861 527 3HD1 LEU 64 1HD1 LEU 64 -12.572 -10.680 5.677 528 1HD2 LEU 64 1HD2 LEU 64 -14.829 -10.239 3.245 529 2HD2 LEU 64 2HD2 LEU 64 -13.381 -10.624 2.263 530 3HD2 LEU 64 3HD2 LEU 64 -13.643 -11.475 3.765 531 H GLY 65 H GLY 65 -14.697 -5.426 2.463 532 1HA GLY 65 1HA GLY 65 -14.965 -3.177 2.613 533 2HA GLY 65 2HA GLY 65 -15.650 -3.495 4.208 534 H SER 66 H SER 66 -13.911 -3.821 5.976 535 HA SER 66 HA SER 66 -12.134 -1.471 6.009 536 1HB SER 66 1HB SER 66 -13.434 -2.368 8.029 537 2HB SER 66 2HB SER 66 -12.304 -3.715 8.072 538 HG SER 66 HG SER 66 -11.915 -1.649 9.324 539 H ASN 67 H ASN 67 -11.796 -4.987 6.368 540 HA ASN 67 HA ASN 67 -8.948 -5.044 6.173 541 1HB ASN 67 1HB ASN 67 -11.141 -7.120 5.788 542 2HB ASN 67 2HB ASN 67 -9.465 -7.578 5.644 543 1HD2 ASN 67 2HD2 ASN 67 -9.236 -6.465 9.363 544 2HD2 ASN 67 1HD2 ASN 67 -8.527 -5.818 7.920 545 H LEU 68 H LEU 68 -11.489 -5.172 3.801 546 HA LEU 68 HA LEU 68 -10.807 -6.914 2.072 547 1HB LEU 68 1HB LEU 68 -12.657 -5.591 1.609 548 2HB LEU 68 2HB LEU 68 -11.702 -4.110 1.349 549 HG LEU 68 HG LEU 68 -10.717 -5.254 -0.708 550 1HD1 LEU 68 1HD1 LEU 68 -12.865 -7.312 -0.148 551 2HD1 LEU 68 2HD1 LEU 68 -11.877 -7.189 -1.626 552 3HD1 LEU 68 3HD1 LEU 68 -11.119 -7.615 -0.091 553 1HD2 LEU 68 1HD2 LEU 68 -12.539 -3.648 -0.945 554 2HD2 LEU 68 2HD2 LEU 68 -12.670 -4.958 -2.128 555 3HD2 LEU 68 3HD2 LEU 68 -13.711 -4.959 -0.692 556 H VAL 69 H VAL 69 -8.980 -7.564 1.340 557 HA VAL 69 HA VAL 69 -6.852 -5.797 0.292 558 HB VAL 69 HB VAL 69 -7.214 -8.801 0.512 559 1HG1 VAL 69 2HG1 VAL 69 -4.862 -7.236 -0.628 560 2HG1 VAL 69 3HG1 VAL 69 -4.852 -8.967 -0.203 561 3HG1 VAL 69 1HG1 VAL 69 -5.896 -8.390 -1.498 562 1HG2 VAL 69 1HG2 VAL 69 -6.762 -7.526 2.627 563 2HG2 VAL 69 2HG2 VAL 69 -5.378 -8.514 2.196 564 3HG2 VAL 69 3HG2 VAL 69 -5.344 -6.792 1.862 565 H THR 70 H THR 70 -6.950 -5.005 -1.700 566 HA THR 70 HA THR 70 -8.373 -6.470 -3.851 567 HB THR 70 HB THR 70 -8.350 -4.200 -4.978 568 HG1 THR 70 1HG THR 70 -7.901 -2.424 -3.721 569 1HG2 THR 70 1HG2 THR 70 -10.335 -5.082 -3.637 570 2HG2 THR 70 2HG2 THR 70 -9.736 -4.115 -2.273 571 3HG2 THR 70 3HG2 THR 70 -10.248 -3.313 -3.769 572 H GLU 71 H GLU 71 -7.156 -6.287 -5.960 573 HA GLU 71 HA GLU 71 -4.517 -7.194 -5.875 574 1HB GLU 71 1HB GLU 71 -4.370 -5.963 -8.200 575 2HB GLU 71 2HB GLU 71 -5.313 -7.440 -8.001 576 1HG GLU 71 1HG GLU 71 -7.341 -6.370 -8.072 577 2HG GLU 71 2HG GLU 71 -6.694 -4.770 -7.597 578 H VAL 72 H VAL 72 -5.447 -3.769 -6.375 579 HA VAL 72 HA VAL 72 -2.879 -2.771 -6.551 580 HB VAL 72 HB VAL 72 -4.803 -1.403 -7.007 581 1HG1 VAL 72 2HG1 VAL 72 -5.340 -1.456 -3.998 582 2HG1 VAL 72 3HG1 VAL 72 -6.055 -0.304 -5.121 583 3HG1 VAL 72 1HG1 VAL 72 -6.399 -2.032 -5.309 584 1HG2 VAL 72 2HG2 VAL 72 -2.591 -0.384 -6.343 585 2HG2 VAL 72 3HG2 VAL 72 -3.998 0.674 -6.138 586 3HG2 VAL 72 1HG2 VAL 72 -3.265 -0.105 -4.726 587 H ARG 73 H ARG 73 -4.489 -3.893 -3.584 588 HA ARG 73 HA ARG 73 -2.587 -2.580 -1.860 589 1HB ARG 73 1HB ARG 73 -4.454 -4.944 -1.357 590 2HB ARG 73 2HB ARG 73 -3.389 -4.291 -0.143 591 1HG ARG 73 1HG ARG 73 -5.645 -2.807 -1.555 592 2HG ARG 73 2HG ARG 73 -5.636 -3.382 0.098 593 1HD ARG 73 1HD ARG 73 -4.312 -1.009 -1.113 594 2HD ARG 73 2HD ARG 73 -5.156 -1.178 0.437 595 HE ARG 73 HE ARG 73 -2.513 -2.519 0.143 596 1HH1 ARG 73 2HH2 ARG 73 -4.274 0.187 1.535 597 2HH1 ARG 73 1HH2 ARG 73 -2.946 0.730 2.512 598 1HH2 ARG 73 2HH1 ARG 73 -0.628 -1.504 1.007 599 2HH2 ARG 73 1HH1 ARG 73 -0.928 -0.654 2.518 600 H VAL 74 H VAL 74 -2.880 -5.949 -3.105 601 HA VAL 74 HA VAL 74 -0.442 -6.670 -1.754 602 HB VAL 74 HB VAL 74 -2.338 -8.180 -2.470 603 1HG1 VAL 74 2HG1 VAL 74 -0.866 -8.203 -5.079 604 2HG1 VAL 74 3HG1 VAL 74 -2.080 -9.391 -4.561 605 3HG1 VAL 74 1HG1 VAL 74 -2.549 -7.708 -4.799 606 1HG2 VAL 74 2HG2 VAL 74 -0.220 -8.919 -1.436 607 2HG2 VAL 74 3HG2 VAL 74 -0.860 -10.096 -2.561 608 3HG2 VAL 74 1HG2 VAL 74 0.504 -9.079 -3.055 609 H TYR 75 H TYR 75 -1.200 -5.669 -5.043 610 HA TYR 75 HA TYR 75 1.301 -5.602 -6.206 611 1HB TYR 75 1HB TYR 75 -1.112 -4.647 -6.913 612 2HB TYR 75 2HB TYR 75 -0.392 -3.110 -6.468 613 HD1 TYR 75 1HD TYR 75 2.524 -4.086 -7.540 614 HD2 TYR 75 2HD TYR 75 -1.489 -4.017 -9.154 615 HE1 TYR 75 1HE TYR 75 3.435 -4.000 -9.803 616 HE2 TYR 75 2HE TYR 75 -0.563 -3.888 -11.416 617 HH TYR 75 HH TYR 75 2.971 -3.784 -12.051 618 H ASN 76 H ASN 76 -0.097 -3.047 -4.054 619 HA ASN 76 HA ASN 76 2.348 -1.635 -4.115 620 1HB ASN 76 1HB ASN 76 1.535 -0.034 -2.628 621 2HB ASN 76 2HB ASN 76 0.312 -0.434 -3.834 622 1HD2 ASN 76 2HD2 ASN 76 -2.030 -0.329 -1.255 623 2HD2 ASN 76 1HD2 ASN 76 -1.495 0.147 -2.853 624 H TRP 77 H TRP 77 1.198 -4.127 -1.833 625 HA TRP 77 HA TRP 77 3.187 -3.609 0.169 626 1HB TRP 77 1HB TRP 77 2.323 -5.341 1.217 627 2HB TRP 77 2HB TRP 77 1.182 -5.534 -0.097 628 HD1 TRP 77 HD TRP 77 1.622 -7.539 -1.757 629 HE1 TRP 77 1HE TRP 77 3.046 -9.601 -1.798 630 HE3 TRP 77 3HE TRP 77 4.310 -6.641 2.487 631 HZ2 TRP 77 2HZ TRP 77 4.766 -10.933 0.033 632 HZ3 TRP 77 3HZ TRP 77 5.546 -8.528 3.494 633 HH2 TRP 77 HH TRP 77 5.930 -10.633 2.188 634 H PHE 78 H PHE 78 3.239 -5.769 -2.715 635 HA PHE 78 HA PHE 78 5.954 -6.535 -2.523 636 1HB PHE 78 1HB PHE 78 4.233 -6.027 -4.988 637 2HB PHE 78 2HB PHE 78 5.838 -6.736 -5.038 638 HD1 PHE 78 2HD PHE 78 6.290 -8.809 -3.558 639 HD2 PHE 78 1HD PHE 78 2.468 -7.582 -5.094 640 HE1 PHE 78 2HE PHE 78 5.508 -11.168 -3.507 641 HE2 PHE 78 1HE PHE 78 1.771 -9.942 -5.189 642 HZ PHE 78 HZ PHE 78 3.259 -11.722 -4.298 643 H ALA 79 H ALA 79 4.485 -3.774 -4.275 644 HA ALA 79 HA ALA 79 6.855 -2.725 -5.316 645 1HB ALA 79 2HB ALA 79 4.489 -2.070 -5.874 646 2HB ALA 79 3HB ALA 79 4.491 -1.073 -4.401 647 3HB ALA 79 1HB ALA 79 5.634 -0.724 -5.719 648 H ASN 80 H ASN 80 5.532 -2.349 -2.027 649 HA ASN 80 HA ASN 80 7.509 -0.282 -1.359 650 1HB ASN 80 1HB ASN 80 5.309 -1.704 0.171 651 2HB ASN 80 2HB ASN 80 6.587 -0.857 1.032 652 1HD2 ASN 80 2HD2 ASN 80 3.849 1.355 -1.129 653 2HD2 ASN 80 1HD2 ASN 80 3.988 -0.383 -1.353 654 H ARG 81 H ARG 81 6.994 -3.713 -0.519 655 HA ARG 81 HA ARG 81 9.255 -4.263 1.005 656 1HB ARG 81 1HB ARG 81 7.773 -5.845 -1.111 657 2HB ARG 81 2HB ARG 81 9.130 -6.543 -0.260 658 1HG ARG 81 1HG ARG 81 7.140 -5.212 1.528 659 2HG ARG 81 2HG ARG 81 6.473 -6.530 0.574 660 1HD ARG 81 1HD ARG 81 7.381 -7.084 2.902 661 2HD ARG 81 2HD ARG 81 7.826 -8.162 1.588 662 HE ARG 81 HE ARG 81 9.544 -6.190 3.074 663 1HH1 ARG 81 2HH2 ARG 81 9.441 -8.874 0.727 664 2HH1 ARG 81 1HH2 ARG 81 11.197 -8.939 0.676 665 1HH2 ARG 81 2HH1 ARG 81 11.733 -6.441 3.021 666 2HH2 ARG 81 1HH1 ARG 81 12.486 -7.568 1.840 667 H ARG 82 H ARG 82 9.011 -4.091 -2.563 668 HA ARG 82 HA ARG 82 11.566 -4.738 -3.343 669 1HB ARG 82 1HB ARG 82 9.771 -2.487 -4.274 670 2HB ARG 82 2HB ARG 82 11.264 -2.892 -5.098 671 1HG ARG 82 1HG ARG 82 9.317 -5.144 -4.566 672 2HG ARG 82 2HG ARG 82 8.904 -3.950 -5.814 673 1HD ARG 82 1HD ARG 82 11.093 -4.278 -6.852 674 2HD ARG 82 2HD ARG 82 11.519 -5.537 -5.682 675 HE ARG 82 HE ARG 82 9.377 -6.702 -6.588 676 1HH1 ARG 82 2HH2 ARG 82 11.662 -4.805 -8.597 677 2HH1 ARG 82 1HH2 ARG 82 11.610 -5.979 -9.891 678 1HH2 ARG 82 2HH1 ARG 82 9.164 -8.034 -8.466 679 2HH2 ARG 82 1HH1 ARG 82 9.737 -7.386 -10.000 680 H LYS 83 H LYS 83 10.646 -1.584 -1.821 681 HA LYS 83 HA LYS 83 13.420 -0.634 -2.195 682 1HB LYS 83 1HB LYS 83 10.847 0.635 -1.329 683 2HB LYS 83 2HB LYS 83 12.256 1.126 -0.416 684 1HG LYS 83 1HG LYS 83 12.158 2.689 -2.178 685 2HG LYS 83 2HG LYS 83 13.513 1.625 -2.516 686 1HD LYS 83 1HD LYS 83 12.251 2.045 -4.553 687 2HD LYS 83 2HD LYS 83 12.097 0.334 -4.139 688 1HE LYS 83 1HE LYS 83 9.843 0.514 -3.607 689 2HE LYS 83 2HE LYS 83 10.016 2.129 -2.909 690 1HZ LYS 83 3HZ LYS 83 10.099 3.072 -5.070 691 2HZ LYS 83 1HZ LYS 83 9.845 1.648 -5.813 692 3HZ LYS 83 2HZ LYS 83 8.697 2.268 -4.809 693 H GLU 84 H GLU 84 11.314 -1.559 0.470 694 HA GLU 84 HA GLU 84 12.919 -1.381 2.698 695 1HB GLU 84 1HB GLU 84 10.524 -2.415 2.262 696 2HB GLU 84 2HB GLU 84 11.418 -3.915 1.982 697 1HG GLU 84 1HG GLU 84 12.376 -3.633 4.318 698 2HG GLU 84 2HG GLU 84 11.175 -2.345 4.557 699 H GLU 85 H GLU 85 13.012 -3.741 0.095 700 HA GLU 85 HA GLU 85 15.106 -5.391 1.264 701 1HB GLU 85 1HB GLU 85 13.001 -6.060 -0.022 702 2HB GLU 85 2HB GLU 85 13.820 -5.600 -1.510 703 1HG GLU 85 1HG GLU 85 15.326 -7.434 -1.309 704 2HG GLU 85 2HG GLU 85 15.067 -7.583 0.438 705 H ALA 86 H ALA 86 14.722 -3.507 -1.792 706 HA ALA 86 HA ALA 86 17.278 -3.850 -2.816 707 1HB ALA 86 1HB ALA 86 15.486 -1.395 -3.063 708 2HB ALA 86 2HB ALA 86 16.874 -1.769 -4.099 709 3HB ALA 86 3HB ALA 86 15.456 -2.838 -4.113 710 H PHE 87 H PHE 87 16.111 -1.290 -0.627 711 HA PHE 87 HA PHE 87 18.521 0.220 -0.478 712 1HB PHE 87 1HB PHE 87 16.273 -0.223 1.551 713 2HB PHE 87 2HB PHE 87 17.633 0.830 1.870 714 HD1 PHE 87 1HD PHE 87 18.163 2.446 -0.392 715 HD2 PHE 87 2HD PHE 87 14.369 1.133 1.180 716 HE1 PHE 87 1HE PHE 87 17.077 4.444 -1.346 717 HE2 PHE 87 2HE PHE 87 13.320 3.219 0.357 718 HZ PHE 87 HZ PHE 87 14.655 4.853 -0.963 719 H ARG 88 H ARG 88 17.333 -2.368 1.716 720 HA ARG 88 HA ARG 88 19.671 -2.431 3.282 721 1HB ARG 88 1HB ARG 88 17.191 -3.607 3.441 722 2HB ARG 88 2HB ARG 88 18.125 -4.971 2.850 723 1HG ARG 88 1HG ARG 88 18.410 -5.285 5.091 724 2HG ARG 88 2HG ARG 88 19.786 -4.213 4.840 725 1HD ARG 88 1HD ARG 88 16.992 -3.488 5.825 726 2HD ARG 88 2HD ARG 88 18.482 -3.547 6.809 727 HE ARG 88 HE ARG 88 19.155 -1.621 5.001 728 1HH1 ARG 88 2HH2 ARG 88 16.727 -2.104 7.488 729 2HH1 ARG 88 1HH2 ARG 88 16.695 -0.386 7.865 730 1HH2 ARG 88 2HH1 ARG 88 18.840 0.551 5.355 731 2HH2 ARG 88 1HH1 ARG 88 17.940 1.061 6.713 732 H HIS 89 H HIS 89 18.876 -4.148 0.298 733 HA HIS 89 HA HIS 89 20.915 -6.126 0.393 734 1HB HIS 89 1HB HIS 89 19.026 -5.022 -1.611 735 2HB HIS 89 2HB HIS 89 20.510 -5.654 -2.282 736 HD1 HIS 89 1HD HIS 89 20.639 -8.274 -2.483 737 HD2 HIS 89 2HD HIS 89 17.669 -6.871 0.149 738 HE1 HIS 89 1HE HIS 89 19.313 -10.314 -1.715 739 H LYS 90 H LYS 90 21.001 -2.722 -0.482 740 HA LYS 90 HA LYS 90 23.398 -2.929 -2.039 741 1HB LYS 90 1HB LYS 90 21.845 -1.069 -2.234 742 2HB LYS 90 2HB LYS 90 22.160 -0.593 -0.574 743 1HG LYS 90 1HG LYS 90 23.170 0.926 -2.018 744 2HG LYS 90 2HG LYS 90 24.447 0.128 -1.150 745 1HD LYS 90 1HD LYS 90 23.549 -0.628 -3.991 746 2HD LYS 90 2HD LYS 90 24.696 0.665 -3.694 747 1HE LYS 90 1HE LYS 90 25.144 -2.310 -3.190 748 2HE LYS 90 2HE LYS 90 25.922 -1.274 -4.378 749 1HZ LYS 90 2HZ LYS 90 26.927 -0.058 -2.478 750 2HZ LYS 90 3HZ LYS 90 26.237 -1.164 -1.462 751 3HZ LYS 90 1HZ LYS 90 27.356 -1.651 -2.531 752 H LEU 91 H LEU 91 23.073 -3.454 1.387 753 HA LEU 91 HA LEU 91 25.803 -3.106 1.855 754 1HB LEU 91 1HB LEU 91 25.006 -1.231 3.749 755 2HB LEU 91 2HB LEU 91 25.854 -0.896 2.250 756 HG LEU 91 HG LEU 91 23.782 -0.291 1.109 757 1HD1 LEU 91 3HD1 LEU 91 22.434 -1.121 3.696 758 2HD1 LEU 91 1HD1 LEU 91 21.673 -0.034 2.523 759 3HD1 LEU 91 2HD1 LEU 91 22.064 -1.684 2.073 760 1HD2 LEU 91 2HD2 LEU 91 24.969 1.402 2.388 761 2HD2 LEU 91 3HD2 LEU 91 23.217 1.686 2.307 762 3HD2 LEU 91 1HD2 LEU 91 23.936 1.034 3.798 763 H ALA 92 H ALA 92 22.646 -3.226 3.489 764 HA ALA 92 HA ALA 92 21.941 -4.255 5.346 765 1HB ALA 92 2HB ALA 92 22.300 -6.124 3.761 766 2HB ALA 92 3HB ALA 92 23.896 -6.416 4.497 767 3HB ALA 92 1HB ALA 92 22.418 -6.619 5.460 768 H MET 93 H MET 93 24.410 -2.562 5.794 769 HA MET 93 HA MET 93 24.643 -3.326 8.647 770 1HB MET 93 1HB MET 93 26.793 -3.904 7.423 771 2HB MET 93 2HB MET 93 26.949 -2.205 6.954 772 1HG MET 93 1HG MET 93 27.016 -1.565 9.353 773 2HG MET 93 2HG MET 93 26.821 -3.259 9.817 774 1HE MET 93 1HE MET 93 28.655 -5.121 9.421 775 2HE MET 93 2HE MET 93 28.883 -4.726 7.698 776 3HE MET 93 3HE MET 93 30.281 -4.788 8.784 777 H ASP 94 H ASP 94 22.686 -2.192 8.172 778 HA ASP 94 HA ASP 94 22.674 0.716 8.300 779 1HB ASP 94 1HB ASP 94 23.134 0.737 6.010 780 2HB ASP 94 2HB ASP 94 22.462 -0.894 5.778 781 H THR 95 H THR 95 21.352 0.278 10.048 782 HA THR 95 HA THR 95 18.685 -0.956 9.600 783 HB THR 95 HB THR 95 18.290 0.099 11.897 784 HG1 THR 95 1HG THR 95 20.338 0.616 12.950 785 1HG2 THR 95 2HG2 THR 95 18.912 -2.297 11.582 786 2HG2 THR 95 3HG2 THR 95 20.630 -1.856 11.618 787 3HG2 THR 95 1HG2 THR 95 19.623 -1.629 13.061 788 H TYR 96 H TYR 96 19.729 2.161 10.725 789 HA TYR 96 HA TYR 96 18.692 4.066 10.924 790 1HB TYR 96 1HB TYR 96 19.313 5.478 9.394 791 2HB TYR 96 2HB TYR 96 20.011 4.087 8.604 792 HD1 TYR 96 1HD TYR 96 18.596 2.950 6.747 793 HD2 TYR 96 2HD TYR 96 17.927 6.944 8.183 794 HE1 TYR 96 1HE TYR 96 17.732 3.595 4.526 795 HE2 TYR 96 2HE TYR 96 16.917 7.552 6.011 796 HH TYR 96 HH TYR 96 16.906 5.324 3.228 797 H LYS 97 H LYS 97 16.797 5.560 9.571 798 HA LYS 97 HA LYS 97 14.465 4.225 10.629 799 1HB LYS 97 1HB LYS 97 13.480 6.599 10.344 800 2HB LYS 97 2HB LYS 97 14.568 6.190 11.659 801 1HG LYS 97 1HG LYS 97 16.461 7.237 10.578 802 2HG LYS 97 2HG LYS 97 15.503 7.625 9.147 803 1HD LYS 97 1HD LYS 97 14.972 8.600 12.011 804 2HD LYS 97 2HD LYS 97 15.926 9.509 10.845 805 1HE LYS 97 1HE LYS 97 12.983 8.773 10.453 806 2HE LYS 97 2HE LYS 97 13.541 10.316 11.087 807 1HZ LYS 97 1HZ LYS 97 14.422 9.354 8.449 808 2HZ LYS 97 2HZ LYS 97 13.061 10.120 8.569 809 3HZ LYS 97 3HZ LYS 97 14.441 10.889 8.983 810 H LEU 98 H LEU 98 15.790 4.466 7.558 811 HA LEU 98 HA LEU 98 14.974 4.398 5.446 812 1HB LEU 98 1HB LEU 98 13.440 2.390 6.997 813 2HB LEU 98 2HB LEU 98 12.796 2.745 5.398 814 HG LEU 98 HG LEU 98 15.736 2.024 5.772 815 1HD1 LEU 98 3HD1 LEU 98 13.369 0.218 5.119 816 2HD1 LEU 98 1HD1 LEU 98 15.078 -0.244 5.055 817 3HD1 LEU 98 2HD1 LEU 98 14.330 0.172 6.611 818 1HD2 LEU 98 3HD2 LEU 98 13.870 1.984 3.372 819 2HD2 LEU 98 1HD2 LEU 98 15.167 3.165 3.637 820 3HD2 LEU 98 2HD2 LEU 98 15.570 1.461 3.404 821 H ASN 99 H ASN 99 14.379 6.726 6.644 822 HA ASN 99 HA ASN 99 12.766 7.870 4.741 823 1HB ASN 99 2HB ASN 99 10.982 8.857 6.002 824 2HB ASN 99 3HB ASN 99 10.816 7.112 6.174 825 1HD2 ASN 99 2HD2 ASN 99 11.395 7.137 9.711 826 2HD2 ASN 99 1HD2 ASN 99 11.672 6.153 8.298 No H/Q in entry = 826 Start of MODEL 3 1 1H MET 0 3H MET 0 -13.834 0.434 -4.736 2 2H MET 0 1H MET 0 -13.434 0.125 -6.276 3 3H MET 0 2H MET 0 -12.865 -0.839 -5.061 4 HA MET 0 HA MET 0 -11.571 1.001 -4.185 5 1HB MET 0 2HB MET 0 -9.884 1.200 -5.953 6 2HB MET 0 3HB MET 0 -10.449 -0.453 -5.792 7 1HG MET 0 2HG MET 0 -11.810 -0.306 -7.765 8 2HG MET 0 3HG MET 0 -11.515 1.425 -7.950 9 1HE MET 0 2HE MET 0 -8.685 2.021 -7.685 10 2HE MET 0 3HE MET 0 -7.965 1.658 -9.268 11 3HE MET 0 1HE MET 0 -9.566 2.415 -9.183 12 H ALA 1 H ALA 1 -10.466 3.146 -5.784 13 HA ALA 1 HA ALA 1 -12.678 4.676 -6.922 14 1HB ALA 1 2HB ALA 1 -11.268 5.641 -4.395 15 2HB ALA 1 3HB ALA 1 -12.376 6.598 -5.402 16 3HB ALA 1 1HB ALA 1 -12.979 5.179 -4.531 17 H ARG 2 H ARG 2 -11.121 4.175 -8.713 18 HA ARG 2 HA ARG 2 -9.462 4.533 -10.098 19 1HB ARG 2 1HB ARG 2 -9.577 7.258 -8.846 20 2HB ARG 2 2HB ARG 2 -8.157 6.830 -9.786 21 1HG ARG 2 1HG ARG 2 -9.563 6.222 -11.724 22 2HG ARG 2 2HG ARG 2 -11.015 6.658 -10.812 23 1HD ARG 2 1HD ARG 2 -10.264 8.494 -12.345 24 2HD ARG 2 2HD ARG 2 -10.278 8.978 -10.657 25 HE ARG 2 HE ARG 2 -7.930 9.018 -10.542 26 1HH1 ARG 2 2HH2 ARG 2 -8.851 7.955 -13.844 27 2HH1 ARG 2 1HH2 ARG 2 -7.372 8.618 -14.520 28 1HH2 ARG 2 2HH1 ARG 2 -6.045 9.467 -11.339 29 2HH2 ARG 2 1HH1 ARG 2 -5.608 9.318 -13.030 30 H ILE 3 H ILE 3 -7.192 4.413 -10.474 31 HA ILE 3 HA ILE 3 -5.528 3.553 -8.253 32 HB ILE 3 HB ILE 3 -5.115 2.804 -10.511 33 1HG1 ILE 3 1HG1 ILE 3 -3.261 3.109 -8.740 34 2HG1 ILE 3 2HG1 ILE 3 -2.834 2.719 -10.406 35 1HG2 ILE 3 3HG2 ILE 3 -5.694 4.803 -11.855 36 2HG2 ILE 3 1HG2 ILE 3 -4.255 5.631 -11.280 37 3HG2 ILE 3 2HG2 ILE 3 -4.102 4.162 -12.256 38 1HD1 ILE 3 2HD1 ILE 3 -2.671 5.539 -9.274 39 2HD1 ILE 3 3HD1 ILE 3 -1.338 4.380 -9.350 40 3HD1 ILE 3 1HD1 ILE 3 -2.076 4.962 -10.846 41 H ASP 4 H ASP 4 -4.613 4.948 -6.738 42 HA ASP 4 HA ASP 4 -3.586 7.466 -7.623 43 1HB ASP 4 1HB ASP 4 -6.077 8.011 -7.241 44 2HB ASP 4 2HB ASP 4 -5.745 7.826 -5.526 45 HA PRO 5 HA PRO 5 -1.405 6.019 -3.861 46 1HB PRO 5 1HB PRO 5 1.089 6.901 -4.418 47 2HB PRO 5 2HB PRO 5 0.344 5.564 -5.320 48 1HG PRO 5 1HG PRO 5 0.481 8.460 -6.196 49 2HG PRO 5 2HG PRO 5 0.912 6.992 -7.122 50 1HD PRO 5 1HD PRO 5 -1.529 8.281 -7.268 51 2HD PRO 5 2HD PRO 5 -1.335 6.524 -7.549 52 H THR 6 H THR 6 -3.166 7.932 -3.262 53 HA THR 6 HA THR 6 -2.275 10.560 -2.774 54 HB THR 6 HB THR 6 -4.022 10.473 -0.937 55 HG1 THR 6 1HG THR 6 -5.293 8.335 -1.258 56 1HG2 THR 6 3HG2 THR 6 -4.611 11.016 -3.284 57 2HG2 THR 6 1HG2 THR 6 -5.033 9.308 -3.548 58 3HG2 THR 6 2HG2 THR 6 -5.931 10.292 -2.379 59 H LYS 7 H LYS 7 -2.431 7.818 -0.648 60 HA LYS 7 HA LYS 7 -0.086 8.261 0.988 61 1HB LYS 7 1HB LYS 7 -1.301 8.947 3.015 62 2HB LYS 7 2HB LYS 7 -1.348 10.176 1.773 63 1HG LYS 7 1HG LYS 7 -3.706 8.722 1.280 64 2HG LYS 7 2HG LYS 7 -3.528 8.667 3.037 65 1HD LYS 7 1HD LYS 7 -3.294 11.146 3.063 66 2HD LYS 7 2HD LYS 7 -3.551 11.212 1.321 67 1HE LYS 7 1HE LYS 7 -5.536 9.953 3.302 68 2HE LYS 7 2HE LYS 7 -5.556 11.660 2.852 69 1HZ LYS 7 2HZ LYS 7 -5.990 9.465 0.885 70 2HZ LYS 7 3HZ LYS 7 -7.105 10.449 1.584 71 3HZ LYS 7 1HZ LYS 7 -5.996 11.090 0.609 72 H LYS 8 H LYS 8 -0.010 6.016 0.256 73 HA LYS 8 HA LYS 8 -0.622 3.835 0.164 74 1HB LYS 8 1HB LYS 8 -0.467 2.803 2.458 75 2HB LYS 8 2HB LYS 8 0.838 3.862 1.936 76 1HG LYS 8 1HG LYS 8 -0.059 5.713 3.318 77 2HG LYS 8 2HG LYS 8 -1.297 4.617 3.958 78 1HD LYS 8 1HD LYS 8 0.458 3.129 4.842 79 2HD LYS 8 2HD LYS 8 1.723 4.055 4.042 80 1HE LYS 8 1HE LYS 8 -0.019 5.039 6.344 81 2HE LYS 8 2HE LYS 8 1.681 4.535 6.422 82 1HZ LYS 8 2HZ LYS 8 2.040 6.459 4.781 83 2HZ LYS 8 3HZ LYS 8 0.530 6.944 5.252 84 3HZ LYS 8 1HZ LYS 8 1.721 6.801 6.366 85 H GLY 9 H GLY 9 -2.762 4.885 -0.723 86 1HA GLY 9 1HA GLY 9 -5.042 4.756 -0.959 87 2HA GLY 9 2HA GLY 9 -4.810 3.076 -0.467 88 H ARG 10 H ARG 10 -4.634 6.207 1.164 89 HA ARG 10 HA ARG 10 -5.338 6.987 3.122 90 1HB ARG 10 1HB ARG 10 -7.674 7.405 3.287 91 2HB ARG 10 2HB ARG 10 -7.180 7.472 1.608 92 1HG ARG 10 1HG ARG 10 -8.092 4.859 1.764 93 2HG ARG 10 2HG ARG 10 -9.060 5.639 3.000 94 1HD ARG 10 1HD ARG 10 -10.299 5.703 1.008 95 2HD ARG 10 2HD ARG 10 -9.745 7.362 1.241 96 HE ARG 10 HE ARG 10 -7.907 6.859 -0.413 97 1HH1 ARG 10 2HH2 ARG 10 -11.197 5.771 -0.953 98 2HH1 ARG 10 1HH2 ARG 10 -10.809 4.710 -2.272 99 1HH2 ARG 10 2HH1 ARG 10 -7.436 5.758 -2.416 100 2HH2 ARG 10 1HH1 ARG 10 -8.673 4.867 -3.242 101 H ARG 11 H ARG 11 -4.231 4.353 3.441 102 HA ARG 11 HA ARG 11 -5.931 2.836 5.030 103 1HB ARG 11 1HB ARG 11 -3.956 1.970 3.853 104 2HB ARG 11 2HB ARG 11 -2.884 2.738 5.030 105 1HG ARG 11 1HG ARG 11 -5.088 0.898 6.012 106 2HG ARG 11 2HG ARG 11 -3.702 0.176 5.205 107 1HD ARG 11 1HD ARG 11 -3.207 2.083 7.500 108 2HD ARG 11 2HD ARG 11 -3.626 0.414 7.809 109 HE ARG 11 HE ARG 11 -1.141 1.529 6.822 110 1HH1 ARG 11 2HH2 ARG 11 -3.056 -1.441 7.128 111 2HH1 ARG 11 1HH2 ARG 11 -1.630 -2.411 7.390 112 1HH2 ARG 11 2HH1 ARG 11 0.661 0.140 6.505 113 2HH2 ARG 11 1HH1 ARG 11 0.523 -1.521 7.008 114 H ASN 12 H ASN 12 -6.102 2.544 7.153 115 HA ASN 12 HA ASN 12 -4.447 3.605 9.213 116 1HB ASN 12 1HB ASN 12 -6.916 5.176 8.493 117 2HB ASN 12 2HB ASN 12 -6.770 4.725 10.189 118 1HD2 ASN 12 2HD2 ASN 12 -3.850 6.685 10.855 119 2HD2 ASN 12 1HD2 ASN 12 -4.769 5.266 11.362 120 H ARG 13 H ARG 13 -7.940 3.068 8.918 121 HA ARG 13 HA ARG 13 -8.246 1.094 10.802 122 1HB ARG 13 1HB ARG 13 -10.326 0.501 9.540 123 2HB ARG 13 2HB ARG 13 -10.139 2.205 9.913 124 1HG ARG 13 1HG ARG 13 -9.527 2.783 7.657 125 2HG ARG 13 2HG ARG 13 -9.344 1.084 7.205 126 1HD ARG 13 1HD ARG 13 -11.833 0.778 7.551 127 2HD ARG 13 2HD ARG 13 -11.927 2.503 7.843 128 HE ARG 13 HE ARG 13 -11.835 2.890 5.599 129 1HH1 ARG 13 2HH2 ARG 13 -10.656 -0.401 6.155 130 2HH1 ARG 13 1HH2 ARG 13 -10.419 -0.737 4.455 131 1HH2 ARG 13 2HH1 ARG 13 -11.311 2.546 3.438 132 2HH2 ARG 13 1HH1 ARG 13 -10.372 1.141 2.942 133 H PHE 14 H PHE 14 -7.483 0.528 7.329 134 HA PHE 14 HA PHE 14 -7.896 -2.287 7.587 135 1HB PHE 14 1HB PHE 14 -8.431 -1.171 5.584 136 2HB PHE 14 2HB PHE 14 -6.764 -0.667 5.322 137 HD1 PHE 14 1HD PHE 14 -7.182 -4.191 6.429 138 HD2 PHE 14 2HD PHE 14 -7.565 -1.637 3.014 139 HE1 PHE 14 1HE PHE 14 -6.082 -5.911 5.045 140 HE2 PHE 14 2HE PHE 14 -6.836 -3.465 1.602 141 HZ PHE 14 HZ PHE 14 -5.607 -5.460 2.656 142 H LYS 15 H LYS 15 -6.561 -2.977 9.209 143 HA LYS 15 HA LYS 15 -3.696 -3.232 9.013 144 1HB LYS 15 1HB LYS 15 -3.972 -5.020 10.648 145 2HB LYS 15 2HB LYS 15 -4.941 -3.611 11.098 146 1HG LYS 15 1HG LYS 15 -6.961 -4.809 10.069 147 2HG LYS 15 2HG LYS 15 -5.939 -6.244 9.899 148 1HD LYS 15 1HD LYS 15 -5.592 -6.366 12.303 149 2HD LYS 15 2HD LYS 15 -6.395 -4.813 12.544 150 1HE LYS 15 1HE LYS 15 -7.834 -6.711 13.164 151 2HE LYS 15 2HE LYS 15 -8.557 -5.685 11.924 152 1HZ LYS 15 1HZ LYS 15 -7.162 -8.181 11.235 153 2HZ LYS 15 2HZ LYS 15 -8.733 -8.140 11.627 154 3HZ LYS 15 3HZ LYS 15 -8.211 -7.315 10.303 155 H TRP 16 H TRP 16 -2.546 -4.645 7.661 156 HA TRP 16 HA TRP 16 -3.853 -6.296 5.660 157 1HB TRP 16 1HB TRP 16 -1.050 -5.793 6.590 158 2HB TRP 16 2HB TRP 16 -1.385 -7.369 5.911 159 HD1 TRP 16 HD TRP 16 -1.361 -3.692 4.811 160 HE1 TRP 16 1HE TRP 16 -0.887 -3.665 2.279 161 HE3 TRP 16 3HE TRP 16 -2.050 -8.622 3.817 162 HZ2 TRP 16 2HZ TRP 16 -0.997 -5.547 0.090 163 HZ3 TRP 16 3HZ TRP 16 -2.323 -9.391 1.446 164 HH2 TRP 16 HH TRP 16 -1.744 -7.868 -0.407 165 H GLY 17 H GLY 17 -2.007 -7.202 8.652 166 1HA GLY 17 1HA GLY 17 -2.822 -8.619 10.307 167 2HA GLY 17 2HA GLY 17 -4.175 -9.126 9.298 168 HA PRO 18 HA PRO 18 -0.243 -11.853 9.498 169 1HB PRO 18 1HB PRO 18 -1.028 -13.948 11.123 170 2HB PRO 18 2HB PRO 18 -0.414 -12.388 11.745 171 1HG PRO 18 1HG PRO 18 -3.303 -13.210 11.398 172 2HG PRO 18 2HG PRO 18 -2.526 -12.495 12.834 173 1HD PRO 18 1HD PRO 18 -3.865 -10.930 11.077 174 2HD PRO 18 2HD PRO 18 -2.317 -10.379 11.782 175 H ALA 19 H ALA 19 -3.470 -13.164 9.356 176 HA ALA 19 HA ALA 19 -2.963 -15.488 7.799 177 1HB ALA 19 3HB ALA 19 -5.463 -13.728 7.841 178 2HB ALA 19 1HB ALA 19 -5.353 -15.376 7.183 179 3HB ALA 19 2HB ALA 19 -5.114 -15.097 8.918 180 H SER 20 H SER 20 -4.047 -12.238 6.780 181 HA SER 20 HA SER 20 -3.818 -12.543 4.028 182 1HB SER 20 1HB SER 20 -4.656 -10.534 5.521 183 2HB SER 20 2HB SER 20 -2.981 -9.999 5.454 184 HG SER 20 HG SER 20 -3.200 -10.242 3.093 185 H GLN 21 H GLN 21 -1.251 -11.671 6.400 186 HA GLN 21 HA GLN 21 0.742 -11.269 4.369 187 1HB GLN 21 1HB GLN 21 0.898 -11.639 7.357 188 2HB GLN 21 2HB GLN 21 2.337 -11.425 6.352 189 1HG GLN 21 1HG GLN 21 1.706 -9.307 5.570 190 2HG GLN 21 2HG GLN 21 0.021 -9.483 6.056 191 1HE2 GLN 21 2HE2 GLN 21 0.576 -8.858 9.562 192 2HE2 GLN 21 1HE2 GLN 21 -0.110 -10.055 8.482 193 H GLN 22 H GLN 22 -0.584 -14.256 5.636 194 HA GLN 22 HA GLN 22 1.857 -15.748 5.126 195 1HB GLN 22 1HB GLN 22 0.806 -17.554 5.917 196 2HB GLN 22 2HB GLN 22 -0.216 -16.325 6.640 197 1HG GLN 22 1HG GLN 22 -1.768 -16.664 4.626 198 2HG GLN 22 2HG GLN 22 -0.777 -18.055 4.186 199 1HE2 GLN 22 2HE2 GLN 22 -3.183 -19.894 6.074 200 2HE2 GLN 22 1HE2 GLN 22 -2.485 -19.606 4.505 201 H ILE 23 H ILE 23 -1.031 -14.780 3.310 202 HA ILE 23 HA ILE 23 -0.442 -16.189 0.878 203 HB ILE 23 HB ILE 23 -2.059 -13.688 1.458 204 1HG1 ILE 23 1HG1 ILE 23 -3.936 -15.056 0.782 205 2HG1 ILE 23 2HG1 ILE 23 -2.855 -16.426 0.412 206 1HG2 ILE 23 3HG2 ILE 23 -1.647 -15.126 -1.187 207 2HG2 ILE 23 1HG2 ILE 23 -2.896 -13.912 -0.826 208 3HG2 ILE 23 2HG2 ILE 23 -1.197 -13.440 -0.807 209 1HD1 ILE 23 2HD1 ILE 23 -3.203 -15.278 3.170 210 2HD1 ILE 23 3HD1 ILE 23 -4.249 -16.555 2.501 211 3HD1 ILE 23 1HD1 ILE 23 -2.510 -16.864 2.652 212 H LEU 24 H LEU 24 0.433 -12.894 2.059 213 HA LEU 24 HA LEU 24 1.938 -12.182 -0.251 214 1HB LEU 24 1HB LEU 24 2.228 -11.384 2.664 215 2HB LEU 24 2HB LEU 24 3.222 -10.694 1.389 216 HG LEU 24 HG LEU 24 0.175 -10.574 1.264 217 1HD1 LEU 24 1HD1 LEU 24 2.195 -8.950 2.758 218 2HD1 LEU 24 2HD1 LEU 24 0.847 -8.086 1.983 219 3HD1 LEU 24 3HD1 LEU 24 0.533 -9.352 3.186 220 1HD2 LEU 24 1HD2 LEU 24 2.439 -9.098 -0.153 221 2HD2 LEU 24 2HD2 LEU 24 1.238 -10.162 -0.882 222 3HD2 LEU 24 3HD2 LEU 24 0.738 -8.606 -0.239 223 H PHE 25 H PHE 25 3.033 -13.832 2.736 224 HA PHE 25 HA PHE 25 5.788 -14.020 2.041 225 1HB PHE 25 1HB PHE 25 3.964 -15.680 3.816 226 2HB PHE 25 2HB PHE 25 5.618 -16.150 3.500 227 HD1 PHE 25 2HD PHE 25 4.463 -12.582 4.053 228 HD2 PHE 25 1HD PHE 25 6.591 -16.010 5.615 229 HE1 PHE 25 2HE PHE 25 5.235 -11.241 5.977 230 HE2 PHE 25 1HE PHE 25 7.503 -14.605 7.423 231 HZ PHE 25 HZ PHE 25 6.776 -12.237 7.656 232 H GLN 26 H GLN 26 3.108 -16.392 1.557 233 HA GLN 26 HA GLN 26 4.788 -18.286 0.290 234 1HB GLN 26 1HB GLN 26 2.904 -19.595 0.071 235 2HB GLN 26 2HB GLN 26 2.511 -18.543 1.428 236 1HG GLN 26 1HG GLN 26 1.262 -17.138 -0.319 237 2HG GLN 26 2HG GLN 26 1.489 -18.504 -1.414 238 1HE2 GLN 26 2HE2 GLN 26 -0.820 -19.121 2.006 239 2HE2 GLN 26 1HE2 GLN 26 0.630 -18.131 2.105 240 H ALA 27 H ALA 27 2.863 -15.604 -1.087 241 HA ALA 27 HA ALA 27 3.414 -16.144 -3.832 242 1HB ALA 27 2HB ALA 27 1.826 -14.438 -3.002 243 2HB ALA 27 3HB ALA 27 3.178 -13.463 -2.415 244 3HB ALA 27 1HB ALA 27 3.005 -13.761 -4.157 245 H TYR 28 H TYR 28 5.233 -14.136 -1.421 246 HA TYR 28 HA TYR 28 7.367 -13.407 -3.043 247 1HB TYR 28 1HB TYR 28 6.713 -13.051 -0.411 248 2HB TYR 28 2HB TYR 28 8.019 -14.199 -0.218 249 HD1 TYR 28 1HD TYR 28 10.294 -13.599 -1.421 250 HD2 TYR 28 2HD TYR 28 7.099 -10.828 -0.752 251 HE1 TYR 28 1HE TYR 28 11.847 -11.714 -1.853 252 HE2 TYR 28 2HE TYR 28 8.664 -8.918 -1.145 253 HH TYR 28 HH TYR 28 11.023 -8.360 -1.253 254 H GLU 29 H GLU 29 6.919 -16.395 -1.156 255 HA GLU 29 HA GLU 29 9.490 -17.486 -1.680 256 1HB GLU 29 1HB GLU 29 8.851 -19.040 -0.246 257 2HB GLU 29 2HB GLU 29 7.376 -18.115 -0.028 258 1HG GLU 29 1HG GLU 29 6.312 -19.617 -1.776 259 2HG GLU 29 2HG GLU 29 7.800 -20.569 -1.769 260 H ARG 30 H ARG 30 6.393 -17.747 -3.399 261 HA ARG 30 HA ARG 30 7.330 -19.767 -5.186 262 1HB ARG 30 1HB ARG 30 5.000 -19.339 -4.445 263 2HB ARG 30 2HB ARG 30 4.912 -17.949 -5.536 264 1HG ARG 30 1HG ARG 30 5.012 -19.353 -7.470 265 2HG ARG 30 2HG ARG 30 5.802 -20.669 -6.586 266 1HD ARG 30 1HD ARG 30 3.482 -21.242 -7.049 267 2HD ARG 30 2HD ARG 30 3.809 -21.135 -5.313 268 HE ARG 30 HE ARG 30 2.777 -18.612 -6.393 269 1HH1 ARG 30 2HH2 ARG 30 1.824 -21.747 -5.013 270 2HH1 ARG 30 1HH2 ARG 30 0.120 -21.415 -5.148 271 1HH2 ARG 30 2HH1 ARG 30 0.674 -18.044 -6.166 272 2HH2 ARG 30 1HH1 ARG 30 -0.512 -19.155 -5.454 273 H GLN 31 H GLN 31 6.637 -16.262 -5.705 274 HA GLN 31 HA GLN 31 8.879 -15.934 -7.485 275 1HB GLN 31 1HB GLN 31 7.469 -15.309 -9.507 276 2HB GLN 31 2HB GLN 31 7.692 -17.025 -9.182 277 1HG GLN 31 1HG GLN 31 5.420 -17.155 -8.190 278 2HG GLN 31 2HG GLN 31 5.223 -15.430 -8.487 279 1HE2 GLN 31 2HE2 GLN 31 3.732 -16.071 -11.580 280 2HE2 GLN 31 1HE2 GLN 31 4.007 -15.028 -10.206 281 H LYS 32 H LYS 32 9.395 -14.173 -6.135 282 HA LYS 32 HA LYS 32 7.415 -12.213 -5.494 283 1HB LYS 32 1HB LYS 32 8.943 -11.031 -4.317 284 2HB LYS 32 2HB LYS 32 9.485 -12.688 -4.143 285 1HG LYS 32 1HG LYS 32 10.685 -10.570 -6.016 286 2HG LYS 32 2HG LYS 32 11.273 -10.923 -4.411 287 1HD LYS 32 1HD LYS 32 11.164 -13.022 -6.605 288 2HD LYS 32 2HD LYS 32 12.538 -11.946 -6.341 289 1HE LYS 32 1HE LYS 32 12.867 -12.759 -4.062 290 2HE LYS 32 2HE LYS 32 11.445 -13.817 -4.182 291 1HZ LYS 32 2HZ LYS 32 13.847 -14.056 -5.864 292 2HZ LYS 32 3HZ LYS 32 13.533 -15.023 -4.582 293 3HZ LYS 32 1HZ LYS 32 12.523 -15.049 -5.869 294 H ASN 33 H ASN 33 8.282 -12.724 -8.494 295 HA ASN 33 HA ASN 33 8.222 -9.900 -9.392 296 1HB ASN 33 1HB ASN 33 8.278 -10.850 -11.667 297 2HB ASN 33 2HB ASN 33 9.740 -11.092 -10.715 298 1HD2 ASN 33 2HD2 ASN 33 9.509 -14.661 -10.605 299 2HD2 ASN 33 1HD2 ASN 33 10.085 -13.240 -9.735 300 HA PRO 34 HA PRO 34 3.863 -11.100 -8.831 301 1HB PRO 34 1HB PRO 34 2.730 -8.673 -8.507 302 2HB PRO 34 2HB PRO 34 3.908 -9.297 -7.324 303 1HG PRO 34 1HG PRO 34 4.525 -7.405 -9.617 304 2HG PRO 34 2HG PRO 34 4.877 -7.180 -7.879 305 1HD PRO 34 1HD PRO 34 6.724 -8.240 -9.569 306 2HD PRO 34 2HD PRO 34 6.519 -8.840 -7.890 307 H SER 35 H SER 35 4.249 -11.876 -11.175 308 HA SER 35 HA SER 35 4.005 -10.154 -13.345 309 1HB SER 35 1HB SER 35 3.410 -13.122 -13.135 310 2HB SER 35 2HB SER 35 3.640 -12.246 -14.657 311 HG SER 35 HG SER 35 5.551 -13.265 -13.503 312 H LYS 36 H LYS 36 1.330 -12.429 -12.454 313 HA LYS 36 HA LYS 36 -0.678 -10.338 -12.851 314 1HB LYS 36 1HB LYS 36 -0.104 -10.897 -15.184 315 2HB LYS 36 2HB LYS 36 -0.329 -12.606 -14.852 316 1HG LYS 36 1HG LYS 36 -2.769 -11.313 -14.051 317 2HG LYS 36 2HG LYS 36 -2.315 -10.559 -15.569 318 1HD LYS 36 1HD LYS 36 -2.467 -13.579 -15.094 319 2HD LYS 36 2HD LYS 36 -3.771 -12.618 -15.792 320 1HE LYS 36 1HE LYS 36 -2.664 -12.177 -17.772 321 2HE LYS 36 2HE LYS 36 -1.048 -12.393 -17.107 322 1HZ LYS 36 1HZ LYS 36 -2.843 -14.715 -17.387 323 2HZ LYS 36 2HZ LYS 36 -1.865 -14.181 -18.604 324 3HZ LYS 36 3HZ LYS 36 -1.236 -14.682 -17.166 325 H GLU 37 H GLU 37 -0.583 -13.908 -13.305 326 HA GLU 37 HA GLU 37 -2.875 -14.488 -11.815 327 1HB GLU 37 1HB GLU 37 -1.524 -16.094 -13.273 328 2HB GLU 37 2HB GLU 37 -0.386 -16.248 -11.916 329 1HG GLU 37 1HG GLU 37 -2.443 -16.908 -10.492 330 2HG GLU 37 2HG GLU 37 -3.317 -17.049 -12.018 331 H GLU 38 H GLU 38 0.496 -14.299 -10.827 332 HA GLU 38 HA GLU 38 0.056 -14.645 -8.007 333 1HB GLU 38 1HB GLU 38 2.154 -15.115 -9.600 334 2HB GLU 38 2HB GLU 38 2.617 -13.494 -9.095 335 1HG GLU 38 1HG GLU 38 3.586 -14.744 -7.370 336 2HG GLU 38 2HG GLU 38 2.031 -14.407 -6.667 337 H ARG 39 H ARG 39 -1.618 -12.901 -8.586 338 HA ARG 39 HA ARG 39 -1.064 -10.804 -6.759 339 1HB ARG 39 1HB ARG 39 -2.052 -9.990 -9.542 340 2HB ARG 39 2HB ARG 39 -2.084 -8.981 -8.087 341 1HG ARG 39 1HG ARG 39 0.415 -9.072 -8.030 342 2HG ARG 39 2HG ARG 39 0.343 -9.973 -9.575 343 1HD ARG 39 1HD ARG 39 -1.217 -8.068 -10.395 344 2HD ARG 39 2HD ARG 39 -0.592 -7.122 -9.016 345 HE ARG 39 HE ARG 39 1.557 -8.332 -10.351 346 1HH1 ARG 39 2HH2 ARG 39 -0.949 -5.912 -11.155 347 2HH1 ARG 39 1HH2 ARG 39 -0.003 -5.208 -12.455 348 1HH2 ARG 39 2HH1 ARG 39 2.530 -7.697 -12.218 349 2HH2 ARG 39 1HH1 ARG 39 1.876 -6.498 -13.302 350 H GLU 40 H GLU 40 -3.238 -11.693 -9.472 351 HA GLU 40 HA GLU 40 -5.692 -11.136 -8.255 352 1HB GLU 40 1HB GLU 40 -4.690 -12.506 -10.591 353 2HB GLU 40 2HB GLU 40 -6.027 -13.406 -9.893 354 1HG GLU 40 1HG GLU 40 -6.926 -11.799 -11.492 355 2HG GLU 40 2HG GLU 40 -7.386 -11.259 -9.870 356 H THR 41 H THR 41 -3.763 -14.107 -8.328 357 HA THR 41 HA THR 41 -5.020 -15.884 -6.637 358 HB THR 41 HB THR 41 -2.196 -15.040 -7.095 359 HG1 THR 41 1HG THR 41 -2.114 -16.896 -8.220 360 1HG2 THR 41 3HG2 THR 41 -3.015 -17.110 -5.084 361 2HG2 THR 41 1HG2 THR 41 -1.414 -17.028 -5.877 362 3HG2 THR 41 2HG2 THR 41 -1.954 -15.708 -4.872 363 H LEU 42 H LEU 42 -2.860 -13.114 -5.684 364 HA LEU 42 HA LEU 42 -2.954 -13.908 -2.982 365 1HB LEU 42 1HB LEU 42 -2.049 -11.357 -4.404 366 2HB LEU 42 2HB LEU 42 -2.084 -11.544 -2.671 367 HG LEU 42 HG LEU 42 -0.660 -13.716 -3.055 368 1HD1 LEU 42 1HD1 LEU 42 -0.850 -13.631 -5.595 369 2HD1 LEU 42 2HD1 LEU 42 0.127 -12.144 -5.522 370 3HD1 LEU 42 3HD1 LEU 42 0.787 -13.677 -4.953 371 1HD2 LEU 42 1HD2 LEU 42 0.280 -10.839 -3.347 372 2HD2 LEU 42 2HD2 LEU 42 0.087 -11.776 -1.848 373 3HD2 LEU 42 3HD2 LEU 42 1.373 -12.177 -2.999 374 H VAL 43 H VAL 43 -4.801 -11.550 -4.936 375 HA VAL 43 HA VAL 43 -6.080 -10.435 -2.612 376 HB VAL 43 HB VAL 43 -7.264 -10.329 -5.397 377 1HG1 VAL 43 3HG1 VAL 43 -8.576 -9.495 -3.399 378 2HG1 VAL 43 1HG1 VAL 43 -7.223 -8.458 -2.956 379 3HG1 VAL 43 2HG1 VAL 43 -8.111 -8.152 -4.459 380 1HG2 VAL 43 2HG2 VAL 43 -4.873 -9.538 -5.538 381 2HG2 VAL 43 3HG2 VAL 43 -6.063 -8.276 -5.760 382 3HG2 VAL 43 1HG2 VAL 43 -5.195 -8.415 -4.209 383 H GLU 44 H GLU 44 -7.094 -12.990 -4.962 384 HA GLU 44 HA GLU 44 -9.609 -13.629 -3.787 385 1HB GLU 44 1HB GLU 44 -9.159 -14.617 -5.871 386 2HB GLU 44 2HB GLU 44 -7.530 -15.109 -5.384 387 1HG GLU 44 1HG GLU 44 -8.992 -17.027 -5.736 388 2HG GLU 44 2HG GLU 44 -8.324 -16.971 -4.111 389 H GLU 45 H GLU 45 -6.475 -15.237 -3.291 390 HA GLU 45 HA GLU 45 -7.296 -16.957 -1.309 391 1HB GLU 45 1HB GLU 45 -5.167 -16.854 -2.751 392 2HB GLU 45 2HB GLU 45 -4.475 -15.828 -1.504 393 1HG GLU 45 1HG GLU 45 -3.841 -18.229 -1.312 394 2HG GLU 45 2HG GLU 45 -4.717 -17.670 0.111 395 H CYS 46 H CYS 46 -5.945 -13.724 -0.995 396 HA CYS 46 HA CYS 46 -5.895 -13.609 1.868 397 1HB CYS 46 1HB CYS 46 -4.831 -11.812 0.579 398 2HB CYS 46 2HB CYS 46 -6.340 -11.448 -0.235 399 HG CYS 46 HG CYS 46 -5.653 -11.155 2.997 400 H ASN 47 H ASN 47 -8.317 -12.180 -0.398 401 HA ASN 47 HA ASN 47 -10.352 -11.367 1.241 402 1HB ASN 47 1HB ASN 47 -10.403 -12.687 -1.506 403 2HB ASN 47 2HB ASN 47 -11.914 -12.398 -0.688 404 1HD2 ASN 47 2HD2 ASN 47 -11.552 -8.766 -0.863 405 2HD2 ASN 47 1HD2 ASN 47 -12.042 -9.969 0.322 406 H ARG 48 H ARG 48 -10.020 -14.585 -0.132 407 HA ARG 48 HA ARG 48 -12.140 -16.043 0.976 408 1HB ARG 48 1HB ARG 48 -10.615 -16.636 -0.825 409 2HB ARG 48 2HB ARG 48 -9.304 -16.881 0.322 410 1HG ARG 48 1HG ARG 48 -10.624 -18.682 1.434 411 2HG ARG 48 2HG ARG 48 -11.952 -18.364 0.293 412 1HD ARG 48 1HD ARG 48 -10.090 -18.694 -1.556 413 2HD ARG 48 2HD ARG 48 -9.178 -19.478 -0.282 414 HE ARG 48 HE ARG 48 -11.170 -20.951 0.101 415 1HH1 ARG 48 2HH2 ARG 48 -10.972 -19.417 -3.139 416 2HH1 ARG 48 1HH2 ARG 48 -11.512 -20.890 -3.915 417 1HH2 ARG 48 2HH1 ARG 48 -12.071 -22.634 -0.909 418 2HH2 ARG 48 1HH1 ARG 48 -12.638 -22.466 -2.595 419 H ALA 49 H ALA 49 -8.770 -15.674 2.195 420 HA ALA 49 HA ALA 49 -9.228 -17.097 4.613 421 1HB ALA 49 2HB ALA 49 -6.951 -16.613 3.757 422 2HB ALA 49 3HB ALA 49 -7.179 -14.892 4.150 423 3HB ALA 49 1HB ALA 49 -7.163 -16.104 5.442 424 H GLU 50 H GLU 50 -9.518 -13.591 3.949 425 HA GLU 50 HA GLU 50 -10.199 -12.912 6.660 426 1HB GLU 50 1HB GLU 50 -10.723 -11.640 4.005 427 2HB GLU 50 2HB GLU 50 -11.083 -10.862 5.567 428 1HG GLU 50 1HG GLU 50 -8.273 -11.825 4.885 429 2HG GLU 50 2HG GLU 50 -8.883 -10.272 4.329 430 H CYS 51 H CYS 51 -12.038 -14.072 3.859 431 HA CYS 51 HA CYS 51 -14.640 -13.690 4.929 432 1HB CYS 51 1HB CYS 51 -15.341 -14.389 2.977 433 2HB CYS 51 2HB CYS 51 -13.661 -14.609 2.501 434 HG CYS 51 HG CYS 51 -13.485 -17.097 3.163 435 H ILE 52 H ILE 52 -12.203 -16.234 5.394 436 HA ILE 52 HA ILE 52 -13.971 -17.878 7.032 437 HB ILE 52 HB ILE 52 -10.949 -17.778 6.801 438 1HG1 ILE 52 1HG1 ILE 52 -13.004 -19.829 5.886 439 2HG1 ILE 52 2HG1 ILE 52 -12.316 -18.589 4.832 440 1HG2 ILE 52 3HG2 ILE 52 -11.564 -18.503 9.072 441 2HG2 ILE 52 1HG2 ILE 52 -12.651 -19.729 8.377 442 3HG2 ILE 52 2HG2 ILE 52 -10.895 -19.816 8.120 443 1HD1 ILE 52 1HD1 ILE 52 -10.030 -19.488 5.307 444 2HD1 ILE 52 2HD1 ILE 52 -10.799 -20.861 6.142 445 3HD1 ILE 52 3HD1 ILE 52 -11.103 -20.588 4.423 446 H GLN 53 H GLN 53 -11.478 -15.389 7.695 447 HA GLN 53 HA GLN 53 -11.593 -15.383 10.466 448 1HB GLN 53 1HB GLN 53 -11.201 -12.936 8.666 449 2HB GLN 53 2HB GLN 53 -10.870 -13.013 10.375 450 1HG GLN 53 1HG GLN 53 -9.440 -15.157 9.785 451 2HG GLN 53 2HG GLN 53 -9.436 -14.474 8.154 452 1HE2 GLN 53 2HE2 GLN 53 -7.574 -11.490 9.363 453 2HE2 GLN 53 1HE2 GLN 53 -9.084 -11.730 8.556 454 H ARG 54 H ARG 54 -13.718 -13.495 8.317 455 HA ARG 54 HA ARG 54 -15.382 -12.696 10.699 456 1HB ARG 54 1HB ARG 54 -14.942 -11.526 7.942 457 2HB ARG 54 2HB ARG 54 -16.228 -10.981 9.045 458 1HG ARG 54 1HG ARG 54 -14.691 -10.183 10.662 459 2HG ARG 54 2HG ARG 54 -13.308 -10.997 9.912 460 1HD ARG 54 1HD ARG 54 -13.471 -8.484 9.455 461 2HD ARG 54 2HD ARG 54 -13.243 -9.545 8.077 462 HE ARG 54 HE ARG 54 -15.462 -9.373 7.418 463 1HH1 ARG 54 2HH2 ARG 54 -14.922 -7.251 10.219 464 2HH1 ARG 54 1HH2 ARG 54 -16.391 -6.387 9.965 465 1HH2 ARG 54 2HH1 ARG 54 -17.460 -8.064 7.165 466 2HH2 ARG 54 1HH1 ARG 54 -17.459 -6.476 7.852 467 H GLY 55 H GLY 55 -15.389 -15.355 9.072 468 1HA GLY 55 1HA GLY 55 -16.875 -16.746 8.042 469 2HA GLY 55 2HA GLY 55 -17.974 -16.120 9.267 470 H VAL 56 H VAL 56 -16.594 -14.512 6.364 471 HA VAL 56 HA VAL 56 -19.302 -13.570 5.644 472 HB VAL 56 HB VAL 56 -16.678 -12.964 4.246 473 1HG1 VAL 56 3HG1 VAL 56 -19.485 -11.761 4.028 474 2HG1 VAL 56 1HG1 VAL 56 -18.023 -11.015 3.361 475 3HG1 VAL 56 2HG1 VAL 56 -18.573 -12.552 2.729 476 1HG2 VAL 56 1HG2 VAL 56 -18.316 -11.570 6.370 477 2HG2 VAL 56 2HG2 VAL 56 -16.594 -12.031 6.432 478 3HG2 VAL 56 3HG2 VAL 56 -17.131 -10.709 5.369 479 H SER 57 H SER 57 -20.218 -13.973 3.669 480 HA SER 57 HA SER 57 -20.226 -16.522 2.505 481 1HB SER 57 1HB SER 57 -21.291 -13.873 2.112 482 2HB SER 57 2HB SER 57 -20.856 -14.556 0.537 483 HG SER 57 HG SER 57 -22.530 -15.692 2.492 484 HA PRO 58 HA PRO 58 -16.070 -15.853 0.465 485 1HB PRO 58 1HB PRO 58 -16.321 -17.955 -1.388 486 2HB PRO 58 2HB PRO 58 -15.547 -18.005 0.222 487 1HG PRO 58 1HG PRO 58 -18.370 -18.786 -0.506 488 2HG PRO 58 2HG PRO 58 -17.235 -19.657 0.555 489 1HD PRO 58 1HD PRO 58 -19.115 -18.144 1.676 490 2HD PRO 58 2HD PRO 58 -17.452 -17.985 2.280 491 H SER 59 H SER 59 -19.156 -16.440 -1.237 492 HA SER 59 HA SER 59 -18.446 -15.185 -3.681 493 1HB SER 59 1HB SER 59 -20.886 -14.745 -3.923 494 2HB SER 59 2HB SER 59 -20.478 -16.428 -3.588 495 HG SER 59 HG SER 59 -22.256 -15.637 -2.343 496 H GLN 60 H GLN 60 -19.212 -13.779 -0.594 497 HA GLN 60 HA GLN 60 -18.973 -11.037 -1.728 498 1HB GLN 60 1HB GLN 60 -20.490 -12.027 0.744 499 2HB GLN 60 2HB GLN 60 -20.273 -10.338 0.316 500 1HG GLN 60 1HG GLN 60 -21.381 -10.899 -1.946 501 2HG GLN 60 2HG GLN 60 -21.843 -12.444 -1.215 502 1HE2 GLN 60 2HE2 GLN 60 -24.791 -10.795 -0.083 503 2HE2 GLN 60 1HE2 GLN 60 -24.085 -12.174 -0.922 504 H ALA 61 H ALA 61 -16.792 -12.910 -0.964 505 HA ALA 61 HA ALA 61 -15.699 -11.970 1.516 506 1HB ALA 61 2HB ALA 61 -14.889 -14.038 0.461 507 2HB ALA 61 3HB ALA 61 -14.200 -13.094 -0.875 508 3HB ALA 61 1HB ALA 61 -13.591 -12.894 0.780 509 H GLN 62 H GLN 62 -16.047 -10.324 -1.507 510 HA GLN 62 HA GLN 62 -13.994 -8.383 -0.869 511 1HB GLN 62 1HB GLN 62 -16.217 -8.545 -2.842 512 2HB GLN 62 2HB GLN 62 -15.367 -7.018 -2.656 513 1HG GLN 62 1HG GLN 62 -13.783 -9.568 -3.143 514 2HG GLN 62 2HG GLN 62 -14.586 -8.740 -4.475 515 1HE2 GLN 62 2HE2 GLN 62 -11.058 -7.260 -3.256 516 2HE2 GLN 62 1HE2 GLN 62 -11.609 -8.886 -2.946 517 H GLY 63 H GLY 63 -16.645 -9.066 0.910 518 1HA GLY 63 1HA GLY 63 -17.383 -6.232 1.541 519 2HA GLY 63 2HA GLY 63 -18.397 -7.670 1.720 520 H LEU 64 H LEU 64 -15.032 -6.979 2.643 521 HA LEU 64 HA LEU 64 -15.516 -8.080 5.372 522 1HB LEU 64 1HB LEU 64 -12.965 -7.275 3.961 523 2HB LEU 64 2HB LEU 64 -13.068 -8.210 5.457 524 HG LEU 64 HG LEU 64 -14.343 -9.242 2.909 525 1HD1 LEU 64 3HD1 LEU 64 -11.425 -9.386 3.778 526 2HD1 LEU 64 1HD1 LEU 64 -12.152 -10.515 2.608 527 3HD1 LEU 64 2HD1 LEU 64 -12.071 -8.787 2.242 528 1HD2 LEU 64 2HD2 LEU 64 -13.302 -10.649 5.351 529 2HD2 LEU 64 3HD2 LEU 64 -14.994 -10.378 4.884 530 3HD2 LEU 64 1HD2 LEU 64 -13.963 -11.406 3.878 531 H GLY 65 H GLY 65 -16.448 -5.353 4.510 532 1HA GLY 65 1HA GLY 65 -16.312 -3.191 4.946 533 2HA GLY 65 2HA GLY 65 -16.057 -3.707 6.629 534 H SER 66 H SER 66 -13.845 -3.752 7.413 535 HA SER 66 HA SER 66 -12.257 -1.688 6.037 536 1HB SER 66 1HB SER 66 -12.648 -1.360 8.432 537 2HB SER 66 2HB SER 66 -11.825 -2.900 8.769 538 HG SER 66 HG SER 66 -9.975 -2.060 8.343 539 H ASN 67 H ASN 67 -12.133 -5.124 6.933 540 HA ASN 67 HA ASN 67 -9.265 -5.337 6.358 541 1HB ASN 67 1HB ASN 67 -11.250 -7.606 6.755 542 2HB ASN 67 2HB ASN 67 -9.490 -7.675 6.845 543 1HD2 ASN 67 2HD2 ASN 67 -11.642 -6.164 10.010 544 2HD2 ASN 67 1HD2 ASN 67 -12.424 -6.531 8.480 545 H LEU 68 H LEU 68 -11.188 -4.410 4.166 546 HA LEU 68 HA LEU 68 -11.254 -6.665 2.321 547 1HB LEU 68 1HB LEU 68 -13.067 -5.173 2.191 548 2HB LEU 68 2HB LEU 68 -12.023 -3.742 2.020 549 HG LEU 68 HG LEU 68 -11.153 -4.737 -0.176 550 1HD1 LEU 68 2HD1 LEU 68 -13.207 -6.843 0.559 551 2HD1 LEU 68 3HD1 LEU 68 -12.626 -6.578 -1.105 552 3HD1 LEU 68 1HD1 LEU 68 -11.499 -7.076 0.155 553 1HD2 LEU 68 2HD2 LEU 68 -14.067 -4.173 0.163 554 2HD2 LEU 68 3HD2 LEU 68 -12.754 -3.094 -0.380 555 3HD2 LEU 68 1HD2 LEU 68 -13.289 -4.407 -1.432 556 H VAL 69 H VAL 69 -9.486 -7.209 1.468 557 HA VAL 69 HA VAL 69 -7.306 -5.403 0.720 558 HB VAL 69 HB VAL 69 -6.810 -7.695 1.422 559 1HG1 VAL 69 3HG1 VAL 69 -8.527 -8.499 -0.930 560 2HG1 VAL 69 1HG1 VAL 69 -7.297 -9.515 -0.240 561 3HG1 VAL 69 2HG1 VAL 69 -8.643 -8.956 0.780 562 1HG2 VAL 69 1HG2 VAL 69 -6.076 -7.061 -1.460 563 2HG2 VAL 69 2HG2 VAL 69 -5.221 -6.557 0.018 564 3HG2 VAL 69 3HG2 VAL 69 -5.295 -8.266 -0.419 565 H THR 70 H THR 70 -7.328 -4.237 -1.109 566 HA THR 70 HA THR 70 -8.965 -5.114 -3.436 567 HB THR 70 HB THR 70 -8.763 -2.704 -4.049 568 HG1 THR 70 1HG THR 70 -6.926 -2.231 -2.731 569 1HG2 THR 70 2HG2 THR 70 -10.697 -3.703 -2.599 570 2HG2 THR 70 3HG2 THR 70 -9.893 -2.970 -1.208 571 3HG2 THR 70 1HG2 THR 70 -10.464 -1.948 -2.541 572 H GLU 71 H GLU 71 -7.818 -5.212 -5.444 573 HA GLU 71 HA GLU 71 -5.395 -6.240 -5.785 574 1HB GLU 71 1HB GLU 71 -6.644 -4.003 -7.400 575 2HB GLU 71 2HB GLU 71 -5.215 -4.869 -7.955 576 1HG GLU 71 1HG GLU 71 -6.352 -6.772 -8.492 577 2HG GLU 71 2HG GLU 71 -7.501 -6.630 -7.165 578 H VAL 72 H VAL 72 -5.660 -2.642 -5.774 579 HA VAL 72 HA VAL 72 -3.008 -2.144 -6.117 580 HB VAL 72 HB VAL 72 -4.928 -0.485 -5.899 581 1HG1 VAL 72 3HG1 VAL 72 -5.546 -0.970 -3.503 582 2HG1 VAL 72 1HG1 VAL 72 -4.000 -0.266 -2.990 583 3HG1 VAL 72 2HG1 VAL 72 -5.196 0.744 -3.798 584 1HG2 VAL 72 2HG2 VAL 72 -2.567 0.172 -6.376 585 2HG2 VAL 72 3HG2 VAL 72 -3.441 1.403 -5.448 586 3HG2 VAL 72 1HG2 VAL 72 -2.279 0.345 -4.635 587 H ARG 73 H ARG 73 -4.417 -3.326 -3.089 588 HA ARG 73 HA ARG 73 -2.340 -2.520 -1.313 589 1HB ARG 73 1HB ARG 73 -4.027 -5.060 -1.340 590 2HB ARG 73 2HB ARG 73 -3.110 -4.464 0.042 591 1HG ARG 73 1HG ARG 73 -5.367 -2.894 -1.277 592 2HG ARG 73 2HG ARG 73 -5.551 -4.004 0.069 593 1HD ARG 73 1HD ARG 73 -3.711 -1.555 0.056 594 2HD ARG 73 2HD ARG 73 -5.371 -1.550 0.640 595 HE ARG 73 HE ARG 73 -3.830 -3.624 1.932 596 1HH1 ARG 73 2HH2 ARG 73 -4.050 -0.155 1.866 597 2HH1 ARG 73 1HH2 ARG 73 -5.001 -0.026 3.294 598 1HH2 ARG 73 2HH1 ARG 73 -4.282 -3.439 4.222 599 2HH2 ARG 73 1HH1 ARG 73 -4.390 -1.920 4.998 600 H VAL 74 H VAL 74 -2.726 -5.491 -3.325 601 HA VAL 74 HA VAL 74 -0.270 -6.640 -2.326 602 HB VAL 74 HB VAL 74 -1.978 -7.102 -4.858 603 1HG1 VAL 74 2HG1 VAL 74 0.430 -8.644 -3.844 604 2HG1 VAL 74 3HG1 VAL 74 -0.732 -9.286 -5.025 605 3HG1 VAL 74 1HG1 VAL 74 0.238 -7.869 -5.431 606 1HG2 VAL 74 2HG2 VAL 74 -3.024 -7.726 -2.632 607 2HG2 VAL 74 3HG2 VAL 74 -2.802 -9.078 -3.752 608 3HG2 VAL 74 1HG2 VAL 74 -1.672 -8.867 -2.406 609 H TYR 75 H TYR 75 -1.218 -4.857 -5.287 610 HA TYR 75 HA TYR 75 1.213 -4.825 -6.632 611 1HB TYR 75 1HB TYR 75 -1.184 -3.787 -7.168 612 2HB TYR 75 2HB TYR 75 -0.517 -2.313 -6.525 613 HD1 TYR 75 1HD TYR 75 2.357 -2.445 -7.550 614 HD2 TYR 75 2HD TYR 75 -1.444 -3.239 -9.453 615 HE1 TYR 75 1HE TYR 75 3.394 -2.167 -9.727 616 HE2 TYR 75 2HE TYR 75 -0.417 -2.784 -11.640 617 HH TYR 75 HH TYR 75 1.632 -2.720 -12.740 618 H ASN 76 H ASN 76 -0.010 -2.339 -4.516 619 HA ASN 76 HA ASN 76 2.113 -0.631 -4.058 620 1HB ASN 76 1HB ASN 76 -0.182 -0.215 -3.358 621 2HB ASN 76 2HB ASN 76 -0.138 -1.608 -2.252 622 1HD2 ASN 76 2HD2 ASN 76 -0.032 1.278 -0.109 623 2HD2 ASN 76 1HD2 ASN 76 -1.145 0.570 -1.261 624 H TRP 77 H TRP 77 1.264 -3.662 -2.296 625 HA TRP 77 HA TRP 77 3.294 -3.397 -0.344 626 1HB TRP 77 1HB TRP 77 1.271 -4.763 -0.147 627 2HB TRP 77 2HB TRP 77 1.901 -5.927 -1.299 628 HD1 TRP 77 HD TRP 77 1.616 -5.207 2.176 629 HE1 TRP 77 1HE TRP 77 3.145 -6.674 3.676 630 HE3 TRP 77 3HE TRP 77 4.602 -7.192 -1.439 631 HZ2 TRP 77 2HZ TRP 77 5.241 -8.750 3.207 632 HZ3 TRP 77 3HZ TRP 77 6.082 -8.976 -0.967 633 HH2 TRP 77 HH TRP 77 6.251 -9.983 1.315 634 H PHE 78 H PHE 78 3.244 -5.423 -3.370 635 HA PHE 78 HA PHE 78 5.962 -6.297 -2.986 636 1HB PHE 78 1HB PHE 78 4.067 -6.369 -5.324 637 2HB PHE 78 2HB PHE 78 5.782 -6.682 -5.567 638 HD1 PHE 78 1HD PHE 78 2.746 -7.923 -3.821 639 HD2 PHE 78 2HD PHE 78 6.922 -8.641 -4.664 640 HE1 PHE 78 1HE PHE 78 2.603 -10.132 -2.720 641 HE2 PHE 78 2HE PHE 78 6.756 -10.842 -3.543 642 HZ PHE 78 HZ PHE 78 4.619 -11.580 -2.541 643 H ALA 79 H ALA 79 4.587 -3.611 -4.891 644 HA ALA 79 HA ALA 79 7.035 -2.610 -5.922 645 1HB ALA 79 1HB ALA 79 4.521 -1.102 -5.089 646 2HB ALA 79 2HB ALA 79 5.842 -0.460 -6.090 647 3HB ALA 79 3HB ALA 79 4.853 -1.806 -6.684 648 H ASN 80 H ASN 80 5.416 -2.163 -2.766 649 HA ASN 80 HA ASN 80 7.201 -0.143 -1.783 650 1HB ASN 80 1HB ASN 80 5.004 -0.435 -0.745 651 2HB ASN 80 2HB ASN 80 5.443 -2.054 -0.190 652 1HD2 ASN 80 2HD2 ASN 80 7.706 -0.783 2.375 653 2HD2 ASN 80 1HD2 ASN 80 7.492 -2.128 1.297 654 H ARG 81 H ARG 81 7.085 -3.715 -1.507 655 HA ARG 81 HA ARG 81 9.282 -4.065 0.283 656 1HB ARG 81 1HB ARG 81 7.708 -5.720 -1.661 657 2HB ARG 81 2HB ARG 81 9.354 -6.257 -1.391 658 1HG ARG 81 1HG ARG 81 7.758 -7.338 0.152 659 2HG ARG 81 2HG ARG 81 9.033 -6.462 0.943 660 1HD ARG 81 1HD ARG 81 7.319 -4.513 1.122 661 2HD ARG 81 2HD ARG 81 6.116 -5.712 0.770 662 HE ARG 81 HE ARG 81 7.427 -6.984 2.758 663 1HH1 ARG 81 2HH2 ARG 81 6.419 -3.585 2.694 664 2HH1 ARG 81 1HH2 ARG 81 6.835 -3.291 4.345 665 1HH2 ARG 81 2HH1 ARG 81 7.597 -6.775 4.908 666 2HH2 ARG 81 1HH1 ARG 81 7.106 -5.307 5.746 667 H ARG 82 H ARG 82 9.331 -4.340 -3.325 668 HA ARG 82 HA ARG 82 12.193 -4.250 -3.264 669 1HB ARG 82 1HB ARG 82 12.194 -4.054 -5.608 670 2HB ARG 82 2HB ARG 82 10.989 -5.244 -5.105 671 1HG ARG 82 1HG ARG 82 9.192 -3.515 -5.500 672 2HG ARG 82 2HG ARG 82 10.437 -2.398 -6.097 673 1HD ARG 82 1HD ARG 82 11.167 -4.276 -7.690 674 2HD ARG 82 2HD ARG 82 9.724 -5.151 -7.155 675 HE ARG 82 HE ARG 82 9.378 -2.417 -8.323 676 1HH1 ARG 82 2HH2 ARG 82 9.066 -5.959 -8.879 677 2HH1 ARG 82 1HH2 ARG 82 9.085 -5.720 -10.613 678 1HH2 ARG 82 2HH1 ARG 82 8.841 -2.200 -10.461 679 2HH2 ARG 82 1HH1 ARG 82 8.431 -3.588 -11.458 680 H LYS 83 H LYS 83 9.838 -1.608 -3.207 681 HA LYS 83 HA LYS 83 11.796 0.363 -3.851 682 1HB LYS 83 1HB LYS 83 9.286 0.804 -3.907 683 2HB LYS 83 2HB LYS 83 9.276 0.642 -2.149 684 1HG LYS 83 1HG LYS 83 9.248 2.938 -2.453 685 2HG LYS 83 2HG LYS 83 10.923 2.611 -2.078 686 1HD LYS 83 1HD LYS 83 10.921 4.118 -3.910 687 2HD LYS 83 2HD LYS 83 11.388 2.574 -4.615 688 1HE LYS 83 1HE LYS 83 9.343 2.331 -5.767 689 2HE LYS 83 2HE LYS 83 8.429 3.228 -4.545 690 1HZ LYS 83 2HZ LYS 83 9.388 5.240 -5.306 691 2HZ LYS 83 3HZ LYS 83 10.205 4.438 -6.531 692 3HZ LYS 83 1HZ LYS 83 8.538 4.494 -6.480 693 H GLU 84 H GLU 84 10.706 -0.851 -0.684 694 HA GLU 84 HA GLU 84 12.440 0.799 0.848 695 1HB GLU 84 1HB GLU 84 10.465 -1.224 1.273 696 2HB GLU 84 2HB GLU 84 11.935 -1.893 1.933 697 1HG GLU 84 1HG GLU 84 12.111 -0.013 3.488 698 2HG GLU 84 2HG GLU 84 10.930 0.926 2.562 699 H GLU 85 H GLU 85 12.754 -2.165 -1.051 700 HA GLU 85 HA GLU 85 15.541 -2.576 -0.128 701 1HB GLU 85 1HB GLU 85 13.675 -4.385 -0.240 702 2HB GLU 85 2HB GLU 85 14.036 -4.434 -1.967 703 1HG GLU 85 1HG GLU 85 16.345 -5.079 -1.491 704 2HG GLU 85 2HG GLU 85 16.109 -4.773 0.244 705 H ALA 86 H ALA 86 14.820 -0.318 -1.735 706 HA ALA 86 HA ALA 86 16.972 -0.590 -3.767 707 1HB ALA 86 1HB ALA 86 14.832 -0.855 -4.992 708 2HB ALA 86 2HB ALA 86 14.225 0.659 -4.330 709 3HB ALA 86 3HB ALA 86 15.632 0.671 -5.409 710 H PHE 87 H PHE 87 14.507 1.582 -2.561 711 HA PHE 87 HA PHE 87 15.843 3.994 -2.362 712 1HB PHE 87 1HB PHE 87 13.342 3.312 -2.040 713 2HB PHE 87 2HB PHE 87 13.734 3.014 -0.353 714 HD1 PHE 87 2HD PHE 87 15.452 5.453 0.240 715 HD2 PHE 87 1HD PHE 87 11.667 4.963 -1.710 716 HE1 PHE 87 2HE PHE 87 15.278 7.930 -0.041 717 HE2 PHE 87 1HE PHE 87 11.310 7.405 -1.577 718 HZ PHE 87 HZ PHE 87 13.239 8.898 -1.053 719 H ARG 88 H ARG 88 15.353 1.544 0.348 720 HA ARG 88 HA ARG 88 17.074 3.049 2.013 721 1HB ARG 88 1HB ARG 88 15.454 1.425 2.926 722 2HB ARG 88 2HB ARG 88 16.363 0.103 2.198 723 1HG ARG 88 1HG ARG 88 17.921 1.889 4.030 724 2HG ARG 88 2HG ARG 88 16.638 0.945 4.781 725 1HD ARG 88 1HD ARG 88 18.890 -0.203 3.076 726 2HD ARG 88 2HD ARG 88 18.799 -0.242 4.840 727 HE ARG 88 HE ARG 88 16.418 -1.338 4.138 728 1HH1 ARG 88 2HH2 ARG 88 19.749 -2.135 3.252 729 2HH1 ARG 88 1HH2 ARG 88 19.325 -3.673 2.555 730 1HH2 ARG 88 2HH1 ARG 88 15.952 -3.514 3.662 731 2HH2 ARG 88 1HH1 ARG 88 17.225 -4.661 3.535 732 H HIS 89 H HIS 89 17.602 0.645 -0.458 733 HA HIS 89 HA HIS 89 20.143 -0.276 0.461 734 1HB HIS 89 1HB HIS 89 18.366 -0.736 -1.857 735 2HB HIS 89 2HB HIS 89 20.068 -0.727 -2.286 736 HD1 HIS 89 1HD HIS 89 21.254 -3.058 -1.804 737 HD2 HIS 89 2HD HIS 89 17.809 -2.317 0.496 738 HE1 HIS 89 1HE HIS 89 21.004 -5.032 -0.218 739 H LYS 90 H LYS 90 19.231 2.530 -1.399 740 HA LYS 90 HA LYS 90 22.138 3.217 -1.235 741 1HB LYS 90 1HB LYS 90 21.085 3.096 -3.636 742 2HB LYS 90 2HB LYS 90 20.515 4.712 -3.278 743 1HG LYS 90 1HG LYS 90 23.445 4.096 -2.660 744 2HG LYS 90 2HG LYS 90 22.956 4.013 -4.328 745 1HD LYS 90 1HD LYS 90 23.916 6.129 -3.986 746 2HD LYS 90 2HD LYS 90 22.209 6.315 -4.348 747 1HE LYS 90 1HE LYS 90 22.964 7.964 -2.724 748 2HE LYS 90 2HE LYS 90 21.738 6.947 -2.010 749 1HZ LYS 90 2HZ LYS 90 24.600 6.592 -1.402 750 2HZ LYS 90 3HZ LYS 90 23.545 7.528 -0.620 751 3HZ LYS 90 1HZ LYS 90 23.251 5.963 -0.620 752 H LEU 91 H LEU 91 18.889 4.822 -1.202 753 HA LEU 91 HA LEU 91 20.093 7.151 -0.228 754 1HB LEU 91 1HB LEU 91 17.176 6.497 -0.510 755 2HB LEU 91 2HB LEU 91 17.844 8.083 -0.130 756 HG LEU 91 HG LEU 91 17.290 8.351 -2.283 757 1HD1 LEU 91 2HD1 LEU 91 19.847 8.584 -2.072 758 2HD1 LEU 91 3HD1 LEU 91 19.894 7.057 -3.012 759 3HD1 LEU 91 1HD1 LEU 91 19.151 8.497 -3.696 760 1HD2 LEU 91 3HD2 LEU 91 17.971 5.454 -2.920 761 2HD2 LEU 91 1HD2 LEU 91 16.360 6.174 -2.695 762 3HD2 LEU 91 2HD2 LEU 91 17.357 6.653 -4.072 763 H ALA 92 H ALA 92 17.094 6.346 1.409 764 HA ALA 92 HA ALA 92 16.606 5.891 3.576 765 1HB ALA 92 3HB ALA 92 18.554 4.017 3.077 766 2HB ALA 92 1HB ALA 92 19.308 4.879 4.378 767 3HB ALA 92 2HB ALA 92 17.699 4.187 4.622 768 H MET 93 H MET 93 16.842 8.361 3.168 769 HA MET 93 HA MET 93 17.662 10.371 3.595 770 1HB MET 93 1HB MET 93 18.420 9.243 6.321 771 2HB MET 93 2HB MET 93 18.182 10.944 5.963 772 1HG MET 93 1HG MET 93 15.832 9.173 5.400 773 2HG MET 93 2HG MET 93 16.319 9.364 7.082 774 1HE MET 93 2HE MET 93 13.490 10.052 6.166 775 2HE MET 93 3HE MET 93 14.030 10.369 7.829 776 3HE MET 93 1HE MET 93 13.202 11.645 6.906 777 H ASP 94 H ASP 94 19.657 8.372 2.538 778 HA ASP 94 HA ASP 94 21.772 7.801 2.354 779 1HB ASP 94 1HB ASP 94 21.558 10.533 1.568 780 2HB ASP 94 2HB ASP 94 23.136 10.319 2.325 781 H THR 95 H THR 95 20.824 7.707 4.970 782 HA THR 95 HA THR 95 23.244 7.312 6.473 783 HB THR 95 HB THR 95 22.477 8.799 8.373 784 HG1 THR 95 1HG THR 95 21.024 10.126 6.315 785 1HG2 THR 95 1HG2 THR 95 24.380 9.467 6.775 786 2HG2 THR 95 2HG2 THR 95 23.205 10.579 6.039 787 3HG2 THR 95 3HG2 THR 95 23.612 10.730 7.750 788 H TYR 96 H TYR 96 19.952 8.198 7.404 789 HA TYR 96 HA TYR 96 19.846 6.044 9.357 790 1HB TYR 96 1HB TYR 96 17.918 8.245 8.496 791 2HB TYR 96 2HB TYR 96 17.553 7.116 9.793 792 HD1 TYR 96 1HD TYR 96 21.031 7.740 10.172 793 HD2 TYR 96 2HD TYR 96 17.181 9.656 10.623 794 HE1 TYR 96 1HE TYR 96 22.016 9.371 11.711 795 HE2 TYR 96 2HE TYR 96 18.191 11.275 12.196 796 HH TYR 96 HH TYR 96 20.169 12.051 13.149 797 H LYS 97 H LYS 97 17.979 4.687 9.676 798 HA LYS 97 HA LYS 97 18.052 2.893 7.598 799 1HB LYS 97 1HB LYS 97 16.792 1.435 9.086 800 2HB LYS 97 2HB LYS 97 18.013 2.383 9.941 801 1HG LYS 97 1HG LYS 97 16.090 4.029 10.527 802 2HG LYS 97 2HG LYS 97 15.001 2.748 9.957 803 1HD LYS 97 1HD LYS 97 16.157 1.177 11.573 804 2HD LYS 97 2HD LYS 97 17.048 2.537 12.233 805 1HE LYS 97 1HE LYS 97 13.992 2.248 12.171 806 2HE LYS 97 2HE LYS 97 15.007 1.909 13.573 807 1HZ LYS 97 3HZ LYS 97 15.631 4.266 13.576 808 2HZ LYS 97 1HZ LYS 97 14.647 4.544 12.287 809 3HZ LYS 97 2HZ LYS 97 14.019 4.103 13.714 810 H LEU 98 H LEU 98 16.297 5.290 6.768 811 HA LEU 98 HA LEU 98 14.519 5.751 5.492 812 1HB LEU 98 1HB LEU 98 15.467 3.780 4.133 813 2HB LEU 98 2HB LEU 98 14.150 2.829 4.799 814 HG LEU 98 HG LEU 98 14.085 5.172 2.871 815 1HD1 LEU 98 2HD1 LEU 98 12.759 2.442 2.942 816 2HD1 LEU 98 3HD1 LEU 98 12.550 3.644 1.652 817 3HD1 LEU 98 1HD1 LEU 98 14.148 2.947 1.956 818 1HD2 LEU 98 1HD2 LEU 98 11.631 4.243 4.429 819 2HD2 LEU 98 2HD2 LEU 98 12.371 5.866 4.516 820 3HD2 LEU 98 3HD2 LEU 98 11.636 5.314 3.021 821 H ASN 99 H ASN 99 13.270 6.451 7.225 822 HA ASN 99 HA ASN 99 10.970 4.789 7.957 823 1HB ASN 99 2HB ASN 99 11.274 5.401 10.347 824 2HB ASN 99 3HB ASN 99 12.396 4.183 9.753 825 1HD2 ASN 99 2HD2 ASN 99 14.253 7.858 10.200 826 2HD2 ASN 99 1HD2 ASN 99 12.851 7.740 9.151 No H/Q in entry = 826 Start of MODEL 4 1 1H MET 0 1H MET 0 3.871 3.375 -16.327 2 2H MET 0 2H MET 0 5.276 4.127 -16.043 3 3H MET 0 3H MET 0 5.259 2.539 -16.613 4 HA MET 0 HA MET 0 4.464 1.703 -14.597 5 1HB MET 0 2HB MET 0 6.479 3.941 -14.025 6 2HB MET 0 3HB MET 0 5.943 2.777 -12.811 7 1HG MET 0 2HG MET 0 8.099 2.136 -13.764 8 2HG MET 0 3HG MET 0 6.843 0.928 -14.002 9 1HE MET 0 1HE MET 0 9.288 3.455 -15.657 10 2HE MET 0 2HE MET 0 8.774 3.440 -17.353 11 3HE MET 0 3HE MET 0 7.752 4.214 -16.119 12 H ALA 1 H ALA 1 3.182 2.038 -12.650 13 HA ALA 1 HA ALA 1 2.041 4.777 -12.315 14 1HB ALA 1 3HB ALA 1 0.577 2.115 -12.165 15 2HB ALA 1 1HB ALA 1 -0.114 3.691 -11.730 16 3HB ALA 1 2HB ALA 1 0.334 3.345 -13.414 17 H ARG 2 H ARG 2 1.046 4.786 -10.047 18 HA ARG 2 HA ARG 2 1.201 4.524 -7.810 19 1HB ARG 2 1HB ARG 2 2.066 2.741 -6.742 20 2HB ARG 2 2HB ARG 2 2.116 2.035 -8.342 21 1HG ARG 2 1HG ARG 2 4.628 3.200 -8.270 22 2HG ARG 2 2HG ARG 2 4.311 3.038 -6.545 23 1HD ARG 2 1HD ARG 2 5.491 1.151 -7.164 24 2HD ARG 2 2HD ARG 2 3.830 0.548 -7.061 25 HE ARG 2 HE ARG 2 3.897 1.218 -9.654 26 1HH1 ARG 2 2HH2 ARG 2 6.894 0.027 -8.079 27 2HH1 ARG 2 1HH2 ARG 2 7.052 -1.271 -9.239 28 1HH2 ARG 2 2HH1 ARG 2 4.437 -0.177 -11.349 29 2HH2 ARG 2 1HH1 ARG 2 6.006 -0.969 -11.370 30 H ILE 3 H ILE 3 2.558 5.594 -6.179 31 HA ILE 3 HA ILE 3 5.000 6.913 -7.241 32 HB ILE 3 HB ILE 3 4.437 8.719 -5.708 33 1HG1 ILE 3 1HG1 ILE 3 1.532 7.957 -5.634 34 2HG1 ILE 3 2HG1 ILE 3 2.589 7.247 -4.406 35 1HG2 ILE 3 2HG2 ILE 3 3.987 8.883 -8.107 36 2HG2 ILE 3 3HG2 ILE 3 2.369 8.193 -7.886 37 3HG2 ILE 3 1HG2 ILE 3 2.768 9.777 -7.184 38 1HD1 ILE 3 2HD1 ILE 3 2.328 10.208 -4.970 39 2HD1 ILE 3 3HD1 ILE 3 1.609 9.332 -3.594 40 3HD1 ILE 3 1HD1 ILE 3 3.371 9.477 -3.739 41 H ASP 4 H ASP 4 5.831 4.768 -6.509 42 HA ASP 4 HA ASP 4 6.745 3.361 -4.907 43 1HB ASP 4 1HB ASP 4 8.080 6.002 -5.285 44 2HB ASP 4 2HB ASP 4 8.720 4.881 -4.084 45 HA PRO 5 HA PRO 5 4.459 4.897 -1.301 46 1HB PRO 5 1HB PRO 5 3.320 2.544 -0.444 47 2HB PRO 5 2HB PRO 5 2.717 3.505 -1.827 48 1HG PRO 5 1HG PRO 5 4.556 1.101 -1.902 49 2HG PRO 5 2HG PRO 5 3.077 1.373 -2.866 50 1HD PRO 5 1HD PRO 5 5.527 1.898 -3.855 51 2HD PRO 5 2HD PRO 5 4.154 2.993 -4.219 52 H THR 6 H THR 6 6.653 5.337 -0.573 53 HA THR 6 HA THR 6 6.928 4.807 2.073 54 HB THR 6 HB THR 6 8.912 3.093 0.562 55 HG1 THR 6 1HG THR 6 7.184 1.985 1.336 56 1HG2 THR 6 2HG2 THR 6 9.038 4.278 3.387 57 2HG2 THR 6 3HG2 THR 6 9.992 2.891 2.844 58 3HG2 THR 6 1HG2 THR 6 10.249 4.463 2.096 59 H LYS 7 H LYS 7 7.181 6.837 2.296 60 HA LYS 7 HA LYS 7 9.813 7.842 1.912 61 1HB LYS 7 1HB LYS 7 9.033 10.153 1.322 62 2HB LYS 7 2HB LYS 7 8.952 9.008 0.006 63 1HG LYS 7 1HG LYS 7 6.649 8.905 -0.036 64 2HG LYS 7 2HG LYS 7 6.441 9.445 1.641 65 1HD LYS 7 1HD LYS 7 6.937 11.678 1.172 66 2HD LYS 7 2HD LYS 7 7.703 11.325 -0.369 67 1HE LYS 7 1HE LYS 7 4.836 10.493 -0.258 68 2HE LYS 7 2HE LYS 7 5.078 12.220 0.003 69 1HZ LYS 7 2HZ LYS 7 6.261 10.814 -2.311 70 2HZ LYS 7 3HZ LYS 7 4.826 11.653 -2.369 71 3HZ LYS 7 1HZ LYS 7 6.224 12.422 -2.006 72 H LYS 8 H LYS 8 8.668 10.401 3.250 73 HA LYS 8 HA LYS 8 8.531 9.086 5.847 74 1HB LYS 8 1HB LYS 8 10.004 11.015 5.324 75 2HB LYS 8 2HB LYS 8 8.572 12.041 5.199 76 1HG LYS 8 1HG LYS 8 9.681 12.279 7.309 77 2HG LYS 8 2HG LYS 8 8.047 11.679 7.548 78 1HD LYS 8 1HD LYS 8 10.341 9.672 7.346 79 2HD LYS 8 2HD LYS 8 10.304 10.702 8.754 80 1HE LYS 8 1HE LYS 8 8.111 8.720 7.986 81 2HE LYS 8 2HE LYS 8 9.259 8.628 9.309 82 1HZ LYS 8 3HZ LYS 8 8.203 10.731 10.151 83 2HZ LYS 8 1HZ LYS 8 7.008 10.515 9.059 84 3HZ LYS 8 2HZ LYS 8 7.236 9.372 10.164 85 H GLY 9 H GLY 9 6.482 8.232 6.322 86 1HA GLY 9 1HA GLY 9 4.448 8.644 7.415 87 2HA GLY 9 2HA GLY 9 4.286 10.215 6.624 88 H ARG 10 H ARG 10 3.479 6.927 6.453 89 HA ARG 10 HA ARG 10 2.234 7.241 3.774 90 1HB ARG 10 1HB ARG 10 4.339 5.343 4.669 91 2HB ARG 10 2HB ARG 10 3.005 4.517 3.924 92 1HG ARG 10 1HG ARG 10 4.505 6.870 2.678 93 2HG ARG 10 2HG ARG 10 4.829 5.159 2.365 94 1HD ARG 10 1HD ARG 10 2.245 6.602 1.698 95 2HD ARG 10 2HD ARG 10 3.491 6.121 0.559 96 HE ARG 10 HE ARG 10 2.907 3.747 1.784 97 1HH1 ARG 10 2HH2 ARG 10 0.966 6.194 0.053 98 2HH1 ARG 10 1HH2 ARG 10 -0.303 5.083 -0.356 99 1HH2 ARG 10 2HH1 ARG 10 1.236 2.227 1.080 100 2HH2 ARG 10 1HH1 ARG 10 -0.074 2.856 0.100 101 H ARG 11 H ARG 11 1.060 4.723 3.713 102 HA ARG 11 HA ARG 11 -1.320 5.194 5.055 103 1HB ARG 11 1HB ARG 11 -0.766 3.626 3.034 104 2HB ARG 11 2HB ARG 11 -0.332 2.434 4.261 105 1HG ARG 11 1HG ARG 11 -2.564 2.027 3.432 106 2HG ARG 11 2HG ARG 11 -2.687 2.507 5.127 107 1HD ARG 11 1HD ARG 11 -3.862 4.443 4.573 108 2HD ARG 11 2HD ARG 11 -2.719 4.781 3.272 109 HE ARG 11 HE ARG 11 -4.710 2.666 2.699 110 1HH1 ARG 11 2HH2 ARG 11 -4.025 6.165 2.478 111 2HH1 ARG 11 1HH2 ARG 11 -4.501 6.252 0.795 112 1HH2 ARG 11 2HH1 ARG 11 -5.759 2.916 0.767 113 2HH2 ARG 11 1HH1 ARG 11 -5.735 4.427 -0.126 114 H ASN 12 H ASN 12 -2.306 4.167 6.843 115 HA ASN 12 HA ASN 12 -0.611 2.492 8.660 116 1HB ASN 12 1HB ASN 12 -0.572 4.679 9.638 117 2HB ASN 12 2HB ASN 12 -2.329 4.869 9.474 118 1HD2 ASN 12 2HD2 ASN 12 -3.071 2.956 12.395 119 2HD2 ASN 12 1HD2 ASN 12 -3.640 4.128 11.216 120 H ARG 13 H ARG 13 -3.946 3.784 8.424 121 HA ARG 13 HA ARG 13 -5.112 1.889 9.978 122 1HB ARG 13 1HB ARG 13 -7.259 2.425 8.748 123 2HB ARG 13 2HB ARG 13 -6.383 3.742 9.534 124 1HG ARG 13 1HG ARG 13 -7.042 4.749 7.608 125 2HG ARG 13 2HG ARG 13 -5.435 4.236 7.106 126 1HD ARG 13 1HD ARG 13 -6.567 2.191 6.025 127 2HD ARG 13 2HD ARG 13 -8.112 2.881 6.538 128 HE ARG 13 HE ARG 13 -6.868 4.905 5.099 129 1HH1 ARG 13 2HH2 ARG 13 -8.249 1.677 4.596 130 2HH1 ARG 13 1HH2 ARG 13 -9.217 2.253 3.269 131 1HH2 ARG 13 2HH1 ARG 13 -7.582 5.372 2.962 132 2HH2 ARG 13 1HH1 ARG 13 -8.476 4.190 2.079 133 H PHE 14 H PHE 14 -4.423 1.477 6.608 134 HA PHE 14 HA PHE 14 -5.702 -1.167 6.408 135 1HB PHE 14 1HB PHE 14 -5.422 0.168 4.386 136 2HB PHE 14 2HB PHE 14 -3.666 0.217 4.638 137 HD1 PHE 14 2HD PHE 14 -6.529 -2.163 4.087 138 HD2 PHE 14 1HD PHE 14 -2.252 -1.622 3.995 139 HE1 PHE 14 2HE PHE 14 -6.233 -4.473 3.293 140 HE2 PHE 14 1HE PHE 14 -1.990 -3.893 3.140 141 HZ PHE 14 HZ PHE 14 -3.946 -5.350 2.861 142 H LYS 15 H LYS 15 -4.982 -2.334 8.076 143 HA LYS 15 HA LYS 15 -2.148 -3.122 8.360 144 1HB LYS 15 1HB LYS 15 -3.162 -4.986 9.708 145 2HB LYS 15 2HB LYS 15 -3.449 -3.381 10.368 146 1HG LYS 15 1HG LYS 15 -5.561 -4.585 8.549 147 2HG LYS 15 2HG LYS 15 -5.390 -5.242 10.163 148 1HD LYS 15 1HD LYS 15 -6.211 -3.412 11.223 149 2HD LYS 15 2HD LYS 15 -5.391 -2.281 10.151 150 1HE LYS 15 1HE LYS 15 -7.096 -2.757 8.367 151 2HE LYS 15 2HE LYS 15 -8.007 -3.733 9.534 152 1HZ LYS 15 2HZ LYS 15 -7.233 -0.935 10.080 153 2HZ LYS 15 3HZ LYS 15 -8.588 -1.289 9.222 154 3HZ LYS 15 1HZ LYS 15 -8.423 -1.787 10.799 155 H TRP 16 H TRP 16 -1.683 -5.455 7.815 156 HA TRP 16 HA TRP 16 -3.170 -6.414 5.401 157 1HB TRP 16 1HB TRP 16 -0.376 -6.837 6.497 158 2HB TRP 16 2HB TRP 16 -1.204 -8.143 5.646 159 HD1 TRP 16 HD TRP 16 0.706 -5.023 4.850 160 HE1 TRP 16 1HE TRP 16 0.785 -4.748 2.295 161 HE3 TRP 16 3HE TRP 16 -2.825 -8.415 3.641 162 HZ2 TRP 16 2HZ TRP 16 -0.724 -5.737 0.013 163 HZ3 TRP 16 3HZ TRP 16 -3.341 -8.927 1.240 164 HH2 TRP 16 HH TRP 16 -2.423 -7.468 -0.549 165 H GLY 17 H GLY 17 -1.874 -7.426 8.532 166 1HA GLY 17 1HA GLY 17 -3.162 -8.559 10.217 167 2HA GLY 17 2HA GLY 17 -4.248 -9.221 8.990 168 HA PRO 18 HA PRO 18 -0.257 -11.642 10.036 169 1HB PRO 18 1HB PRO 18 -1.082 -13.686 11.729 170 2HB PRO 18 2HB PRO 18 -0.566 -12.067 12.278 171 1HG PRO 18 1HG PRO 18 -3.399 -13.029 11.760 172 2HG PRO 18 2HG PRO 18 -2.776 -12.158 13.193 173 1HD PRO 18 1HD PRO 18 -4.051 -10.810 11.218 174 2HD PRO 18 2HD PRO 18 -2.583 -10.121 11.969 175 H ALA 19 H ALA 19 -3.326 -13.182 9.434 176 HA ALA 19 HA ALA 19 -2.182 -15.643 8.309 177 1HB ALA 19 3HB ALA 19 -4.510 -15.424 9.274 178 2HB ALA 19 1HB ALA 19 -4.964 -14.500 7.833 179 3HB ALA 19 2HB ALA 19 -4.437 -16.186 7.663 180 H SER 20 H SER 20 -3.674 -12.676 7.130 181 HA SER 20 HA SER 20 -3.272 -12.862 4.380 182 1HB SER 20 1HB SER 20 -3.205 -10.510 6.327 183 2HB SER 20 2HB SER 20 -3.390 -10.318 4.617 184 HG SER 20 HG SER 20 -5.483 -10.406 5.450 185 H GLN 21 H GLN 21 -0.996 -11.696 6.939 186 HA GLN 21 HA GLN 21 1.114 -11.168 5.039 187 1HB GLN 21 1HB GLN 21 1.005 -11.439 8.022 188 2HB GLN 21 2HB GLN 21 2.565 -11.375 7.195 189 1HG GLN 21 1HG GLN 21 2.252 -9.263 6.323 190 2HG GLN 21 2HG GLN 21 0.492 -9.348 6.396 191 1HE2 GLN 21 2HE2 GLN 21 0.449 -8.652 10.021 192 2HE2 GLN 21 1HE2 GLN 21 -0.017 -9.947 8.934 193 H GLN 22 H GLN 22 0.014 -14.117 6.679 194 HA GLN 22 HA GLN 22 2.281 -15.708 5.902 195 1HB GLN 22 1HB GLN 22 0.160 -16.169 7.534 196 2HB GLN 22 2HB GLN 22 -0.399 -16.983 6.068 197 1HG GLN 22 1HG GLN 22 0.730 -18.644 7.245 198 2HG GLN 22 2HG GLN 22 1.940 -18.128 6.067 199 1HE2 GLN 22 2HE2 GLN 22 3.222 -18.373 9.723 200 2HE2 GLN 22 1HE2 GLN 22 1.771 -19.171 9.123 201 H ILE 23 H ILE 23 -0.840 -15.023 4.290 202 HA ILE 23 HA ILE 23 -0.339 -16.313 1.830 203 HB ILE 23 HB ILE 23 -1.658 -13.601 2.112 204 1HG1 ILE 23 1HG1 ILE 23 -2.717 -15.330 3.627 205 2HG1 ILE 23 2HG1 ILE 23 -3.731 -14.561 2.431 206 1HG2 ILE 23 1HG2 ILE 23 -1.885 -15.664 -0.073 207 2HG2 ILE 23 2HG2 ILE 23 -2.861 -14.182 0.095 208 3HG2 ILE 23 3HG2 ILE 23 -1.126 -14.070 -0.181 209 1HD1 ILE 23 3HD1 ILE 23 -2.536 -17.326 2.089 210 2HD1 ILE 23 1HD1 ILE 23 -4.168 -16.968 2.696 211 3HD1 ILE 23 2HD1 ILE 23 -3.740 -16.531 1.037 212 H LEU 24 H LEU 24 0.594 -12.998 2.891 213 HA LEU 24 HA LEU 24 1.888 -12.253 0.503 214 1HB LEU 24 1HB LEU 24 2.548 -11.432 3.392 215 2HB LEU 24 2HB LEU 24 3.252 -10.739 1.970 216 HG LEU 24 HG LEU 24 0.365 -10.493 2.802 217 1HD1 LEU 24 1HD1 LEU 24 2.011 -9.008 3.865 218 2HD1 LEU 24 2HD1 LEU 24 2.584 -8.498 2.269 219 3HD1 LEU 24 3HD1 LEU 24 0.942 -8.116 2.774 220 1HD2 LEU 24 1HD2 LEU 24 1.618 -9.993 0.118 221 2HD2 LEU 24 2HD2 LEU 24 0.076 -10.766 0.507 222 3HD2 LEU 24 3HD2 LEU 24 0.252 -9.007 0.681 223 H PHE 25 H PHE 25 3.323 -13.848 3.381 224 HA PHE 25 HA PHE 25 5.966 -14.043 2.387 225 1HB PHE 25 1HB PHE 25 4.399 -15.810 4.312 226 2HB PHE 25 2HB PHE 25 6.084 -16.072 3.909 227 HD1 PHE 25 1HD PHE 25 7.735 -14.106 4.213 228 HD2 PHE 25 2HD PHE 25 4.033 -14.561 6.340 229 HE1 PHE 25 1HE PHE 25 8.615 -12.732 6.084 230 HE2 PHE 25 2HE PHE 25 4.836 -13.046 8.106 231 HZ PHE 25 HZ PHE 25 7.133 -12.110 7.988 232 H GLN 26 H GLN 26 3.251 -16.414 2.161 233 HA GLN 26 HA GLN 26 4.782 -18.344 0.785 234 1HB GLN 26 1HB GLN 26 2.927 -19.635 0.751 235 2HB GLN 26 2HB GLN 26 2.438 -18.489 1.987 236 1HG GLN 26 1HG GLN 26 1.239 -17.224 0.072 237 2HG GLN 26 2HG GLN 26 1.579 -18.629 -0.932 238 1HE2 GLN 26 2HE2 GLN 26 -1.864 -19.101 0.200 239 2HE2 GLN 26 1HE2 GLN 26 -0.926 -18.062 -0.868 240 H ALA 27 H ALA 27 2.895 -15.586 -0.408 241 HA ALA 27 HA ALA 27 3.078 -16.158 -3.197 242 1HB ALA 27 3HB ALA 27 2.770 -13.529 -1.699 243 2HB ALA 27 1HB ALA 27 2.561 -13.794 -3.436 244 3HB ALA 27 2HB ALA 27 1.464 -14.589 -2.280 245 H TYR 28 H TYR 28 4.966 -13.985 -1.055 246 HA TYR 28 HA TYR 28 6.744 -13.029 -3.017 247 1HB TYR 28 1HB TYR 28 6.265 -12.239 -0.568 248 2HB TYR 28 2HB TYR 28 7.527 -13.347 -0.104 249 HD1 TYR 28 2HD TYR 28 6.657 -10.289 -1.977 250 HD2 TYR 28 1HD TYR 28 9.895 -12.754 -0.571 251 HE1 TYR 28 2HE TYR 28 8.284 -8.645 -2.860 252 HE2 TYR 28 1HE TYR 28 11.519 -11.039 -1.340 253 HH TYR 28 HH TYR 28 11.785 -9.074 -2.574 254 H GLU 29 H GLU 29 6.768 -15.977 -1.109 255 HA GLU 29 HA GLU 29 9.400 -16.862 -1.825 256 1HB GLU 29 1HB GLU 29 7.967 -17.835 0.017 257 2HB GLU 29 2HB GLU 29 6.935 -18.569 -1.209 258 1HG GLU 29 1HG GLU 29 8.828 -19.877 -2.077 259 2HG GLU 29 2HG GLU 29 9.918 -19.090 -0.951 260 H ARG 30 H ARG 30 6.136 -17.392 -3.410 261 HA ARG 30 HA ARG 30 7.485 -19.037 -5.391 262 1HB ARG 30 1HB ARG 30 5.338 -19.129 -6.587 263 2HB ARG 30 2HB ARG 30 5.380 -19.803 -4.964 264 1HG ARG 30 1HG ARG 30 4.066 -17.988 -4.094 265 2HG ARG 30 2HG ARG 30 4.119 -17.088 -5.624 266 1HD ARG 30 1HD ARG 30 2.723 -18.539 -6.737 267 2HD ARG 30 2HD ARG 30 3.142 -19.916 -5.737 268 HE ARG 30 HE ARG 30 1.812 -18.905 -3.876 269 1HH1 ARG 30 2HH2 ARG 30 0.853 -17.609 -7.017 270 2HH1 ARG 30 1HH2 ARG 30 -0.704 -18.459 -6.998 271 1HH2 ARG 30 2HH1 ARG 30 -0.412 -19.486 -3.654 272 2HH2 ARG 30 1HH1 ARG 30 -1.534 -18.718 -4.720 273 H GLN 31 H GLN 31 5.765 -15.858 -5.671 274 HA GLN 31 HA GLN 31 7.584 -15.264 -7.978 275 1HB GLN 31 1HB GLN 31 4.721 -14.446 -7.575 276 2HB GLN 31 2HB GLN 31 5.818 -13.773 -8.799 277 1HG GLN 31 1HG GLN 31 6.169 -16.373 -9.390 278 2HG GLN 31 2HG GLN 31 4.552 -16.503 -8.694 279 1HE2 GLN 31 2HE2 GLN 31 3.070 -15.290 -11.702 280 2HE2 GLN 31 1HE2 GLN 31 2.802 -15.886 -10.073 281 H LYS 32 H LYS 32 9.098 -14.047 -7.210 282 HA LYS 32 HA LYS 32 8.889 -11.977 -5.214 283 1HB LYS 32 1HB LYS 32 10.672 -12.445 -7.649 284 2HB LYS 32 2HB LYS 32 10.917 -11.099 -6.524 285 1HG LYS 32 1HG LYS 32 11.442 -12.457 -4.736 286 2HG LYS 32 2HG LYS 32 10.747 -13.934 -5.433 287 1HD LYS 32 1HD LYS 32 12.458 -14.100 -7.114 288 2HD LYS 32 2HD LYS 32 13.142 -12.527 -6.697 289 1HE LYS 32 1HE LYS 32 13.131 -15.038 -4.947 290 2HE LYS 32 2HE LYS 32 14.515 -14.342 -5.802 291 1HZ LYS 32 1HZ LYS 32 14.080 -12.299 -4.415 292 2HZ LYS 32 2HZ LYS 32 13.094 -13.250 -3.478 293 3HZ LYS 32 3HZ LYS 32 14.715 -13.556 -3.631 294 H ASN 33 H ASN 33 8.268 -12.194 -8.711 295 HA ASN 33 HA ASN 33 7.466 -9.312 -8.824 296 1HB ASN 33 1HB ASN 33 8.400 -11.185 -11.029 297 2HB ASN 33 2HB ASN 33 7.922 -9.490 -11.214 298 1HD2 ASN 33 2HD2 ASN 33 11.698 -10.440 -10.022 299 2HD2 ASN 33 1HD2 ASN 33 10.542 -11.585 -10.706 300 HA PRO 34 HA PRO 34 3.671 -11.893 -9.140 301 1HB PRO 34 1HB PRO 34 1.774 -10.137 -8.318 302 2HB PRO 34 2HB PRO 34 2.962 -10.827 -7.174 303 1HG PRO 34 1HG PRO 34 3.200 -8.160 -8.643 304 2HG PRO 34 2HG PRO 34 3.240 -8.436 -6.905 305 1HD PRO 34 1HD PRO 34 5.529 -8.318 -8.352 306 2HD PRO 34 2HD PRO 34 5.388 -9.572 -7.080 307 H SER 35 H SER 35 3.947 -12.005 -11.420 308 HA SER 35 HA SER 35 3.984 -9.929 -13.139 309 1HB SER 35 1HB SER 35 4.497 -12.421 -13.532 310 2HB SER 35 2HB SER 35 2.819 -12.598 -13.999 311 HG SER 35 HG SER 35 4.876 -11.676 -15.414 312 H LYS 36 H LYS 36 0.966 -11.941 -12.921 313 HA LYS 36 HA LYS 36 -0.659 -9.582 -13.769 314 1HB LYS 36 1HB LYS 36 0.443 -11.849 -15.428 315 2HB LYS 36 2HB LYS 36 -1.263 -11.503 -15.657 316 1HG LYS 36 1HG LYS 36 -0.797 -9.188 -16.226 317 2HG LYS 36 2HG LYS 36 0.946 -9.439 -15.971 318 1HD LYS 36 1HD LYS 36 0.983 -11.144 -17.779 319 2HD LYS 36 2HD LYS 36 -0.774 -11.071 -17.922 320 1HE LYS 36 1HE LYS 36 0.352 -9.827 -19.740 321 2HE LYS 36 2HE LYS 36 -0.719 -8.814 -18.771 322 1HZ LYS 36 1HZ LYS 36 2.170 -8.914 -18.227 323 2HZ LYS 36 2HZ LYS 36 1.508 -7.900 -19.358 324 3HZ LYS 36 3HZ LYS 36 1.039 -7.767 -17.799 325 H GLU 37 H GLU 37 -0.752 -13.129 -13.635 326 HA GLU 37 HA GLU 37 -3.510 -13.169 -12.679 327 1HB GLU 37 1HB GLU 37 -2.099 -15.061 -13.999 328 2HB GLU 37 2HB GLU 37 -1.384 -15.360 -12.453 329 1HG GLU 37 1HG GLU 37 -4.190 -15.245 -11.916 330 2HG GLU 37 2HG GLU 37 -3.991 -16.204 -13.391 331 H GLU 38 H GLU 38 -0.261 -13.821 -11.453 332 HA GLU 38 HA GLU 38 -0.634 -14.750 -9.038 333 1HB GLU 38 1HB GLU 38 1.537 -14.085 -10.188 334 2HB GLU 38 2HB GLU 38 1.358 -12.481 -9.504 335 1HG GLU 38 1HG GLU 38 2.829 -13.742 -8.095 336 2HG GLU 38 2HG GLU 38 1.345 -13.514 -7.195 337 H ARG 39 H ARG 39 -0.346 -11.244 -9.474 338 HA ARG 39 HA ARG 39 -1.098 -10.509 -6.897 339 1HB ARG 39 1HB ARG 39 -1.955 -8.326 -8.220 340 2HB ARG 39 2HB ARG 39 -0.229 -8.684 -8.133 341 1HG ARG 39 1HG ARG 39 -0.045 -9.262 -10.340 342 2HG ARG 39 2HG ARG 39 -1.666 -9.953 -10.444 343 1HD ARG 39 1HD ARG 39 -1.223 -6.996 -10.239 344 2HD ARG 39 2HD ARG 39 -1.287 -7.878 -11.779 345 HE ARG 39 HE ARG 39 -3.560 -8.773 -10.965 346 1HH1 ARG 39 2HH2 ARG 39 -2.474 -5.396 -10.852 347 2HH1 ARG 39 1HH2 ARG 39 -4.049 -4.838 -10.270 348 1HH2 ARG 39 2HH1 ARG 39 -5.604 -7.835 -10.926 349 2HH2 ARG 39 1HH1 ARG 39 -5.805 -6.190 -10.313 350 H GLU 40 H GLU 40 -3.277 -11.023 -9.664 351 HA GLU 40 HA GLU 40 -5.644 -10.152 -8.310 352 1HB GLU 40 1HB GLU 40 -4.889 -11.265 -10.857 353 2HB GLU 40 2HB GLU 40 -6.218 -12.220 -10.246 354 1HG GLU 40 1HG GLU 40 -7.730 -10.522 -10.456 355 2HG GLU 40 2HG GLU 40 -6.605 -9.261 -9.963 356 H THR 41 H THR 41 -4.085 -13.292 -8.793 357 HA THR 41 HA THR 41 -5.702 -14.961 -7.277 358 HB THR 41 HB THR 41 -2.968 -14.954 -8.401 359 HG1 THR 41 1HG THR 41 -3.660 -16.726 -9.263 360 1HG2 THR 41 1HG2 THR 41 -3.524 -16.688 -5.982 361 2HG2 THR 41 2HG2 THR 41 -2.225 -16.944 -7.176 362 3HG2 THR 41 3HG2 THR 41 -2.222 -15.496 -6.176 363 H LEU 42 H LEU 42 -2.942 -12.872 -6.098 364 HA LEU 42 HA LEU 42 -2.996 -13.877 -3.463 365 1HB LEU 42 1HB LEU 42 -2.068 -11.307 -4.755 366 2HB LEU 42 2HB LEU 42 -2.375 -11.301 -3.045 367 HG LEU 42 HG LEU 42 -0.839 -13.549 -3.150 368 1HD1 LEU 42 1HD1 LEU 42 0.144 -11.670 -5.362 369 2HD1 LEU 42 2HD1 LEU 42 1.066 -13.020 -4.697 370 3HD1 LEU 42 3HD1 LEU 42 -0.432 -13.342 -5.536 371 1HD2 LEU 42 1HD2 LEU 42 0.043 -10.661 -2.857 372 2HD2 LEU 42 2HD2 LEU 42 -0.574 -11.741 -1.593 373 3HD2 LEU 42 3HD2 LEU 42 0.986 -12.073 -2.348 374 H VAL 43 H VAL 43 -4.864 -11.227 -5.002 375 HA VAL 43 HA VAL 43 -6.162 -10.366 -2.620 376 HB VAL 43 HB VAL 43 -7.240 -10.382 -5.480 377 1HG1 VAL 43 1HG1 VAL 43 -8.056 -8.930 -2.947 378 2HG1 VAL 43 2HG1 VAL 43 -8.620 -8.495 -4.581 379 3HG1 VAL 43 3HG1 VAL 43 -9.029 -10.074 -3.890 380 1HG2 VAL 43 2HG2 VAL 43 -5.793 -8.216 -3.889 381 2HG2 VAL 43 3HG2 VAL 43 -5.103 -9.116 -5.260 382 3HG2 VAL 43 1HG2 VAL 43 -6.499 -8.077 -5.517 383 H GLU 44 H GLU 44 -7.125 -12.824 -5.033 384 HA GLU 44 HA GLU 44 -9.544 -13.640 -3.838 385 1HB GLU 44 1HB GLU 44 -8.781 -14.120 -6.138 386 2HB GLU 44 2HB GLU 44 -7.489 -15.147 -5.497 387 1HG GLU 44 1HG GLU 44 -9.327 -16.457 -6.415 388 2HG GLU 44 2HG GLU 44 -9.020 -16.758 -4.713 389 H GLU 45 H GLU 45 -6.344 -15.206 -3.568 390 HA GLU 45 HA GLU 45 -6.681 -17.109 -1.581 391 1HB GLU 45 1HB GLU 45 -4.508 -15.704 -2.813 392 2HB GLU 45 2HB GLU 45 -4.283 -15.493 -1.101 393 1HG GLU 45 1HG GLU 45 -3.112 -17.384 -1.365 394 2HG GLU 45 2HG GLU 45 -4.671 -18.171 -1.128 395 H CYS 46 H CYS 46 -5.935 -13.698 -1.114 396 HA CYS 46 HA CYS 46 -5.782 -13.970 1.730 397 1HB CYS 46 1HB CYS 46 -4.819 -12.054 0.023 398 2HB CYS 46 2HB CYS 46 -6.276 -11.231 0.544 399 HG CYS 46 HG CYS 46 -5.879 -11.571 3.162 400 H ASN 47 H ASN 47 -8.226 -12.820 -0.501 401 HA ASN 47 HA ASN 47 -10.196 -11.814 1.311 402 1HB ASN 47 1HB ASN 47 -10.333 -12.992 -1.501 403 2HB ASN 47 2HB ASN 47 -11.749 -12.434 -0.647 404 1HD2 ASN 47 2HD2 ASN 47 -9.467 -9.128 -0.890 405 2HD2 ASN 47 1HD2 ASN 47 -9.130 -10.420 0.263 406 H ARG 48 H ARG 48 -9.794 -15.103 -0.162 407 HA ARG 48 HA ARG 48 -11.978 -16.294 1.116 408 1HB ARG 48 1HB ARG 48 -10.378 -17.354 -0.590 409 2HB ARG 48 2HB ARG 48 -9.273 -17.669 0.752 410 1HG ARG 48 1HG ARG 48 -11.265 -18.845 1.910 411 2HG ARG 48 2HG ARG 48 -12.115 -18.709 0.370 412 1HD ARG 48 1HD ARG 48 -9.458 -20.173 0.828 413 2HD ARG 48 2HD ARG 48 -11.061 -20.929 0.736 414 HE ARG 48 HE ARG 48 -10.375 -19.300 -1.614 415 1HH1 ARG 48 2HH2 ARG 48 -9.997 -22.595 -0.225 416 2HH1 ARG 48 1HH2 ARG 48 -9.643 -23.254 -1.811 417 1HH2 ARG 48 2HH1 ARG 48 -10.167 -20.268 -3.553 418 2HH2 ARG 48 1HH1 ARG 48 -10.058 -21.990 -3.763 419 H ALA 49 H ALA 49 -8.604 -16.006 2.265 420 HA ALA 49 HA ALA 49 -9.032 -17.173 4.818 421 1HB ALA 49 3HB ALA 49 -6.808 -16.835 3.761 422 2HB ALA 49 1HB ALA 49 -6.966 -15.086 4.003 423 3HB ALA 49 2HB ALA 49 -6.875 -16.172 5.407 424 H GLU 50 H GLU 50 -9.371 -13.807 3.769 425 HA GLU 50 HA GLU 50 -9.755 -12.880 6.490 426 1HB GLU 50 1HB GLU 50 -9.937 -11.614 3.760 427 2HB GLU 50 2HB GLU 50 -10.446 -10.804 5.249 428 1HG GLU 50 1HG GLU 50 -8.100 -11.405 6.198 429 2HG GLU 50 2HG GLU 50 -7.648 -11.710 4.522 430 H CYS 51 H CYS 51 -11.915 -14.022 3.949 431 HA CYS 51 HA CYS 51 -14.276 -13.115 5.346 432 1HB CYS 51 1HB CYS 51 -15.502 -14.009 3.736 433 2HB CYS 51 2HB CYS 51 -13.969 -14.118 2.849 434 HG CYS 51 HG CYS 51 -15.671 -16.339 4.617 435 H ILE 52 H ILE 52 -12.273 -16.122 5.384 436 HA ILE 52 HA ILE 52 -14.082 -17.558 7.052 437 HB ILE 52 HB ILE 52 -11.139 -17.850 6.371 438 1HG1 ILE 52 1HG1 ILE 52 -13.542 -19.627 5.743 439 2HG1 ILE 52 2HG1 ILE 52 -13.048 -18.291 4.704 440 1HG2 ILE 52 2HG2 ILE 52 -12.798 -19.690 8.145 441 2HG2 ILE 52 3HG2 ILE 52 -11.214 -20.098 7.452 442 3HG2 ILE 52 1HG2 ILE 52 -11.339 -18.788 8.618 443 1HD1 ILE 52 1HD1 ILE 52 -10.841 -19.306 4.358 444 2HD1 ILE 52 2HD1 ILE 52 -11.331 -20.720 5.330 445 3HD1 ILE 52 3HD1 ILE 52 -12.169 -20.347 3.819 446 H GLN 53 H GLN 53 -11.338 -15.474 7.703 447 HA GLN 53 HA GLN 53 -11.105 -15.664 10.508 448 1HB GLN 53 1HB GLN 53 -10.894 -13.259 8.675 449 2HB GLN 53 2HB GLN 53 -10.537 -13.154 10.400 450 1HG GLN 53 1HG GLN 53 -8.663 -14.528 10.279 451 2HG GLN 53 2HG GLN 53 -9.157 -15.268 8.758 452 1HE2 GLN 53 2HE2 GLN 53 -6.966 -13.134 7.022 453 2HE2 GLN 53 1HE2 GLN 53 -7.410 -14.772 7.461 454 H ARG 54 H ARG 54 -13.808 -14.199 8.711 455 HA ARG 54 HA ARG 54 -15.183 -13.568 11.270 456 1HB ARG 54 1HB ARG 54 -14.195 -11.645 9.181 457 2HB ARG 54 2HB ARG 54 -15.791 -11.326 9.841 458 1HG ARG 54 1HG ARG 54 -15.074 -11.108 12.044 459 2HG ARG 54 2HG ARG 54 -13.493 -11.831 11.737 460 1HD ARG 54 1HD ARG 54 -14.376 -9.269 10.358 461 2HD ARG 54 2HD ARG 54 -13.625 -9.253 11.940 462 HE ARG 54 HE ARG 54 -12.329 -9.891 9.355 463 1HH1 ARG 54 2HH2 ARG 54 -12.041 -10.079 12.960 464 2HH1 ARG 54 1HH2 ARG 54 -10.328 -10.434 12.818 465 1HH2 ARG 54 2HH1 ARG 54 -10.115 -10.279 9.356 466 2HH2 ARG 54 1HH1 ARG 54 -9.208 -10.407 10.869 467 H GLY 55 H GLY 55 -15.429 -15.685 9.252 468 1HA GLY 55 1HA GLY 55 -17.056 -16.837 8.182 469 2HA GLY 55 2HA GLY 55 -18.275 -15.769 8.889 470 H VAL 56 H VAL 56 -18.449 -13.614 7.851 471 HA VAL 56 HA VAL 56 -19.472 -12.594 6.104 472 HB VAL 56 HB VAL 56 -16.626 -13.047 5.341 473 1HG1 VAL 56 3HG1 VAL 56 -18.484 -11.575 3.430 474 2HG1 VAL 56 1HG1 VAL 56 -16.718 -11.615 3.389 475 3HG1 VAL 56 2HG1 VAL 56 -17.602 -13.100 3.107 476 1HG2 VAL 56 3HG2 VAL 56 -17.242 -11.323 6.975 477 2HG2 VAL 56 1HG2 VAL 56 -16.540 -10.621 5.515 478 3HG2 VAL 56 2HG2 VAL 56 -18.284 -10.534 5.761 479 H SER 57 H SER 57 -20.105 -12.694 3.667 480 HA SER 57 HA SER 57 -21.298 -15.333 3.201 481 1HB SER 57 1HB SER 57 -21.783 -12.622 2.362 482 2HB SER 57 2HB SER 57 -21.613 -13.656 0.941 483 HG SER 57 HG SER 57 -23.320 -14.170 3.162 484 HA PRO 58 HA PRO 58 -17.292 -16.262 1.328 485 1HB PRO 58 1HB PRO 58 -17.868 -18.596 -0.065 486 2HB PRO 58 2HB PRO 58 -17.588 -18.492 1.694 487 1HG PRO 58 1HG PRO 58 -20.245 -18.519 0.246 488 2HG PRO 58 2HG PRO 58 -19.768 -19.463 1.686 489 1HD PRO 58 1HD PRO 58 -21.215 -17.189 1.915 490 2HD PRO 58 2HD PRO 58 -19.916 -17.539 3.097 491 H SER 59 H SER 59 -20.226 -16.269 -0.701 492 HA SER 59 HA SER 59 -18.999 -15.843 -3.240 493 1HB SER 59 1HB SER 59 -21.421 -14.821 -3.565 494 2HB SER 59 2HB SER 59 -21.204 -16.558 -3.300 495 HG SER 59 HG SER 59 -22.804 -15.684 -1.880 496 H GLN 60 H GLN 60 -19.090 -13.816 -0.505 497 HA GLN 60 HA GLN 60 -18.238 -11.474 -2.095 498 1HB GLN 60 1HB GLN 60 -20.166 -11.559 0.273 499 2HB GLN 60 2HB GLN 60 -19.357 -10.084 -0.248 500 1HG GLN 60 1HG GLN 60 -21.160 -11.721 -2.072 501 2HG GLN 60 2HG GLN 60 -21.683 -10.324 -1.132 502 1HE2 GLN 60 2HE2 GLN 60 -19.951 -7.922 -3.154 503 2HE2 GLN 60 1HE2 GLN 60 -20.312 -8.237 -1.451 504 H ALA 61 H ALA 61 -16.563 -13.547 -1.146 505 HA ALA 61 HA ALA 61 -15.399 -12.767 1.382 506 1HB ALA 61 2HB ALA 61 -14.857 -14.974 0.319 507 2HB ALA 61 3HB ALA 61 -14.025 -14.084 -0.995 508 3HB ALA 61 1HB ALA 61 -13.414 -14.002 0.649 509 H GLN 62 H GLN 62 -15.278 -11.399 -1.814 510 HA GLN 62 HA GLN 62 -13.137 -9.595 -0.920 511 1HB GLN 62 1HB GLN 62 -12.796 -8.999 -3.036 512 2HB GLN 62 2HB GLN 62 -13.542 -10.570 -3.315 513 1HG GLN 62 1HG GLN 62 -14.509 -7.800 -3.899 514 2HG GLN 62 2HG GLN 62 -14.483 -9.226 -4.923 515 1HE2 GLN 62 2HE2 GLN 62 -17.830 -8.237 -2.900 516 2HE2 GLN 62 1HE2 GLN 62 -16.414 -7.202 -3.104 517 H GLY 63 H GLY 63 -16.095 -9.756 0.190 518 1HA GLY 63 1HA GLY 63 -16.987 -6.955 -0.337 519 2HA GLY 63 2HA GLY 63 -17.965 -8.362 0.119 520 H LEU 64 H LEU 64 -14.994 -7.944 1.803 521 HA LEU 64 HA LEU 64 -16.296 -7.608 4.338 522 1HB LEU 64 1HB LEU 64 -13.397 -7.325 3.450 523 2HB LEU 64 2HB LEU 64 -13.932 -7.097 5.112 524 HG LEU 64 HG LEU 64 -14.802 -9.431 5.152 525 1HD1 LEU 64 1HD1 LEU 64 -13.596 -9.496 2.389 526 2HD1 LEU 64 2HD1 LEU 64 -13.944 -10.971 3.324 527 3HD1 LEU 64 3HD1 LEU 64 -15.273 -9.937 2.818 528 1HD2 LEU 64 1HD2 LEU 64 -11.908 -9.138 4.252 529 2HD2 LEU 64 2HD2 LEU 64 -12.527 -8.923 5.914 530 3HD2 LEU 64 3HD2 LEU 64 -12.625 -10.507 5.131 531 H GLY 65 H GLY 65 -14.684 -5.456 2.028 532 1HA GLY 65 1HA GLY 65 -14.478 -3.171 1.922 533 2HA GLY 65 2HA GLY 65 -15.733 -3.016 3.157 534 H SER 66 H SER 66 -14.960 -3.790 5.407 535 HA SER 66 HA SER 66 -13.305 -1.911 6.473 536 1HB SER 66 1HB SER 66 -14.948 -3.191 7.731 537 2HB SER 66 2HB SER 66 -14.023 -4.673 7.547 538 HG SER 66 HG SER 66 -12.842 -4.109 9.210 539 H ASN 67 H ASN 67 -12.346 -5.340 6.382 540 HA ASN 67 HA ASN 67 -9.523 -4.667 6.761 541 1HB ASN 67 1HB ASN 67 -11.097 -7.257 6.421 542 2HB ASN 67 2HB ASN 67 -9.347 -7.181 6.637 543 1HD2 ASN 67 2HD2 ASN 67 -11.745 -6.353 9.859 544 2HD2 ASN 67 1HD2 ASN 67 -12.455 -6.739 8.300 545 H LEU 68 H LEU 68 -11.673 -5.497 4.200 546 HA LEU 68 HA LEU 68 -10.686 -7.118 2.607 547 1HB LEU 68 1HB LEU 68 -12.640 -5.813 2.090 548 2HB LEU 68 2HB LEU 68 -11.662 -4.418 1.604 549 HG LEU 68 HG LEU 68 -10.729 -5.831 -0.264 550 1HD1 LEU 68 2HD1 LEU 68 -12.813 -7.854 0.635 551 2HD1 LEU 68 3HD1 LEU 68 -11.849 -7.890 -0.873 552 3HD1 LEU 68 1HD1 LEU 68 -11.061 -8.092 0.682 553 1HD2 LEU 68 1HD2 LEU 68 -13.730 -5.448 -0.143 554 2HD2 LEU 68 2HD2 LEU 68 -12.520 -4.286 -0.705 555 3HD2 LEU 68 3HD2 LEU 68 -12.788 -5.776 -1.619 556 H VAL 69 H VAL 69 -8.923 -7.686 1.739 557 HA VAL 69 HA VAL 69 -6.810 -5.905 0.749 558 HB VAL 69 HB VAL 69 -7.316 -8.900 0.511 559 1HG1 VAL 69 3HG1 VAL 69 -4.880 -7.273 -0.321 560 2HG1 VAL 69 1HG1 VAL 69 -5.004 -9.051 -0.315 561 3HG1 VAL 69 2HG1 VAL 69 -5.992 -8.107 -1.424 562 1HG2 VAL 69 3HG2 VAL 69 -5.399 -7.238 2.219 563 2HG2 VAL 69 1HG2 VAL 69 -6.830 -8.102 2.803 564 3HG2 VAL 69 2HG2 VAL 69 -5.468 -9.003 2.166 565 H THR 70 H THR 70 -6.959 -4.936 -1.203 566 HA THR 70 HA THR 70 -8.617 -6.095 -3.398 567 HB THR 70 HB THR 70 -8.917 -3.713 -4.118 568 HG1 THR 70 1HG THR 70 -7.126 -2.849 -2.962 569 1HG2 THR 70 3HG2 THR 70 -10.633 -4.823 -2.631 570 2HG2 THR 70 1HG2 THR 70 -9.815 -4.106 -1.223 571 3HG2 THR 70 2HG2 THR 70 -10.544 -3.056 -2.437 572 H GLU 71 H GLU 71 -7.540 -5.721 -5.561 573 HA GLU 71 HA GLU 71 -4.936 -6.527 -5.647 574 1HB GLU 71 1HB GLU 71 -4.828 -5.384 -7.914 575 2HB GLU 71 2HB GLU 71 -6.020 -6.658 -7.688 576 1HG GLU 71 1HG GLU 71 -7.843 -5.242 -7.674 577 2HG GLU 71 2HG GLU 71 -6.914 -3.805 -7.215 578 H VAL 72 H VAL 72 -5.841 -3.059 -5.713 579 HA VAL 72 HA VAL 72 -3.225 -2.205 -6.138 580 HB VAL 72 HB VAL 72 -5.354 -0.897 -6.317 581 1HG1 VAL 72 1HG1 VAL 72 -6.252 -1.268 -4.062 582 2HG1 VAL 72 2HG1 VAL 72 -4.913 -0.343 -3.355 583 3HG1 VAL 72 3HG1 VAL 72 -6.082 0.454 -4.424 584 1HG2 VAL 72 1HG2 VAL 72 -2.938 0.398 -5.006 585 2HG2 VAL 72 2HG2 VAL 72 -3.169 0.075 -6.731 586 3HG2 VAL 72 3HG2 VAL 72 -4.213 1.240 -5.907 587 H ARG 73 H ARG 73 -4.584 -3.427 -3.157 588 HA ARG 73 HA ARG 73 -2.632 -2.301 -1.316 589 1HB ARG 73 1HB ARG 73 -4.274 -4.860 -1.098 590 2HB ARG 73 2HB ARG 73 -3.426 -4.056 0.202 591 1HG ARG 73 1HG ARG 73 -5.749 -2.783 -1.351 592 2HG ARG 73 2HG ARG 73 -5.911 -3.730 0.132 593 1HD ARG 73 1HD ARG 73 -5.927 -1.593 0.954 594 2HD ARG 73 2HD ARG 73 -4.300 -2.185 1.210 595 HE ARG 73 HE ARG 73 -5.133 -0.360 -1.067 596 1HH1 ARG 73 2HH2 ARG 73 -3.259 -0.814 1.847 597 2HH1 ARG 73 1HH2 ARG 73 -2.037 0.354 1.534 598 1HH2 ARG 73 2HH1 ARG 73 -3.686 1.387 -1.555 599 2HH2 ARG 73 1HH1 ARG 73 -2.432 1.818 -0.459 600 H VAL 74 H VAL 74 -3.099 -5.439 -2.985 601 HA VAL 74 HA VAL 74 -0.676 -6.689 -2.223 602 HB VAL 74 HB VAL 74 -2.357 -6.940 -4.773 603 1HG1 VAL 74 3HG1 VAL 74 -0.081 -8.645 -3.765 604 2HG1 VAL 74 1HG1 VAL 74 -1.228 -9.146 -5.024 605 3HG1 VAL 74 2HG1 VAL 74 -0.163 -7.771 -5.316 606 1HG2 VAL 74 3HG2 VAL 74 -3.536 -7.599 -2.666 607 2HG2 VAL 74 1HG2 VAL 74 -3.253 -8.949 -3.771 608 3HG2 VAL 74 2HG2 VAL 74 -2.222 -8.766 -2.350 609 H TYR 75 H TYR 75 -1.519 -4.607 -4.993 610 HA TYR 75 HA TYR 75 0.962 -4.705 -6.252 611 1HB TYR 75 1HB TYR 75 -1.447 -3.564 -6.844 612 2HB TYR 75 2HB TYR 75 -0.556 -2.102 -6.412 613 HD1 TYR 75 2HD TYR 75 -0.575 -5.200 -8.426 614 HD2 TYR 75 1HD TYR 75 1.313 -1.364 -7.886 615 HE1 TYR 75 2HE TYR 75 0.900 -5.650 -10.336 616 HE2 TYR 75 1HE TYR 75 2.619 -1.723 -9.969 617 HH TYR 75 HH TYR 75 2.183 -4.719 -11.917 618 H ASN 76 H ASN 76 -0.208 -2.414 -3.792 619 HA ASN 76 HA ASN 76 2.070 -0.735 -3.898 620 1HB ASN 76 1HB ASN 76 -0.083 -1.286 -1.807 621 2HB ASN 76 2HB ASN 76 1.372 -0.465 -1.267 622 1HD2 ASN 76 2HD2 ASN 76 -0.990 1.575 -3.955 623 2HD2 ASN 76 1HD2 ASN 76 -1.005 -0.192 -3.973 624 H TRP 77 H TRP 77 1.290 -3.569 -1.849 625 HA TRP 77 HA TRP 77 3.700 -3.511 -0.326 626 1HB TRP 77 1HB TRP 77 2.565 -5.034 0.797 627 2HB TRP 77 2HB TRP 77 1.385 -5.181 -0.491 628 HD1 TRP 77 HD TRP 77 1.515 -7.259 -2.047 629 HE1 TRP 77 1HE TRP 77 2.823 -9.435 -2.056 630 HE3 TRP 77 3HE TRP 77 4.777 -6.262 1.770 631 HZ2 TRP 77 2HZ TRP 77 4.743 -10.720 -0.423 632 HZ3 TRP 77 3HZ TRP 77 5.942 -8.141 2.805 633 HH2 TRP 77 HH TRP 77 6.063 -10.367 1.670 634 H PHE 78 H PHE 78 2.891 -5.454 -3.268 635 HA PHE 78 HA PHE 78 5.600 -6.414 -3.504 636 1HB PHE 78 1HB PHE 78 3.136 -6.547 -5.219 637 2HB PHE 78 2HB PHE 78 4.683 -6.915 -5.944 638 HD1 PHE 78 2HD PHE 78 6.307 -8.520 -4.636 639 HD2 PHE 78 1HD PHE 78 2.010 -8.522 -4.569 640 HE1 PHE 78 2HE PHE 78 6.305 -10.967 -4.336 641 HE2 PHE 78 1HE PHE 78 2.029 -10.968 -4.166 642 HZ PHE 78 HZ PHE 78 4.182 -12.182 -3.933 643 H ALA 79 H ALA 79 4.736 -3.281 -3.847 644 HA ALA 79 HA ALA 79 6.953 -2.844 -5.816 645 1HB ALA 79 3HB ALA 79 4.945 -0.913 -4.545 646 2HB ALA 79 1HB ALA 79 6.291 -0.469 -5.597 647 3HB ALA 79 2HB ALA 79 4.968 -1.477 -6.227 648 H ASN 80 H ASN 80 5.777 -1.705 -2.584 649 HA ASN 80 HA ASN 80 8.308 -0.648 -1.925 650 1HB ASN 80 1HB ASN 80 6.296 0.079 -0.747 651 2HB ASN 80 2HB ASN 80 6.047 -1.548 -0.088 652 1HD2 ASN 80 2HD2 ASN 80 8.064 -0.844 2.725 653 2HD2 ASN 80 1HD2 ASN 80 6.666 -1.657 2.074 654 H ARG 81 H ARG 81 6.924 -3.791 -1.035 655 HA ARG 81 HA ARG 81 8.936 -4.664 0.665 656 1HB ARG 81 1HB ARG 81 6.827 -5.840 0.441 657 2HB ARG 81 2HB ARG 81 7.178 -6.242 -1.251 658 1HG ARG 81 1HG ARG 81 7.548 -8.212 0.040 659 2HG ARG 81 2HG ARG 81 9.071 -7.615 -0.568 660 1HD ARG 81 1HD ARG 81 9.124 -6.415 1.867 661 2HD ARG 81 2HD ARG 81 8.133 -7.777 2.287 662 HE ARG 81 HE ARG 81 10.964 -7.696 1.651 663 1HH1 ARG 81 2HH2 ARG 81 8.138 -9.817 1.663 664 2HH1 ARG 81 1HH2 ARG 81 9.075 -11.273 1.925 665 1HH2 ARG 81 2HH1 ARG 81 12.213 -9.639 1.952 666 2HH2 ARG 81 1HH1 ARG 81 11.419 -11.169 1.931 667 H ARG 82 H ARG 82 8.947 -4.430 -2.881 668 HA ARG 82 HA ARG 82 11.215 -6.133 -3.356 669 1HB ARG 82 1HB ARG 82 10.557 -3.544 -4.843 670 2HB ARG 82 2HB ARG 82 11.564 -4.903 -5.361 671 1HG ARG 82 1HG ARG 82 9.551 -6.378 -5.216 672 2HG ARG 82 2HG ARG 82 8.557 -4.957 -4.859 673 1HD ARG 82 1HD ARG 82 8.833 -4.024 -6.999 674 2HD ARG 82 2HD ARG 82 10.389 -4.795 -7.247 675 HE ARG 82 HE ARG 82 9.403 -6.925 -7.586 676 1HH1 ARG 82 2HH2 ARG 82 6.741 -4.823 -7.496 677 2HH1 ARG 82 1HH2 ARG 82 6.654 -4.502 -9.216 678 1HH2 ARG 82 2HH1 ARG 82 8.967 -7.173 -9.866 679 2HH2 ARG 82 1HH1 ARG 82 7.473 -6.569 -10.540 680 H LYS 83 H LYS 83 10.807 -2.675 -2.493 681 HA LYS 83 HA LYS 83 13.649 -2.250 -2.554 682 1HB LYS 83 1HB LYS 83 11.672 -0.475 -2.812 683 2HB LYS 83 2HB LYS 83 11.670 -0.489 -1.049 684 1HG LYS 83 1HG LYS 83 12.990 1.371 -1.744 685 2HG LYS 83 2HG LYS 83 14.126 0.162 -1.130 686 1HD LYS 83 1HD LYS 83 14.553 -0.581 -3.492 687 2HD LYS 83 2HD LYS 83 13.473 0.677 -4.095 688 1HE LYS 83 1HE LYS 83 15.968 1.190 -2.400 689 2HE LYS 83 2HE LYS 83 16.002 1.089 -4.163 690 1HZ LYS 83 2HZ LYS 83 14.386 3.105 -2.709 691 2HZ LYS 83 3HZ LYS 83 15.896 3.306 -3.296 692 3HZ LYS 83 1HZ LYS 83 14.651 3.009 -4.335 693 H GLU 84 H GLU 84 11.306 -3.077 -0.034 694 HA GLU 84 HA GLU 84 13.073 -3.071 2.168 695 1HB GLU 84 1HB GLU 84 10.499 -3.748 1.998 696 2HB GLU 84 2HB GLU 84 11.169 -5.364 1.727 697 1HG GLU 84 1HG GLU 84 12.549 -4.857 3.913 698 2HG GLU 84 2HG GLU 84 11.306 -3.637 4.198 699 H GLU 85 H GLU 85 12.783 -5.438 -0.512 700 HA GLU 85 HA GLU 85 14.559 -7.321 0.844 701 1HB GLU 85 1HB GLU 85 12.871 -8.225 -0.635 702 2HB GLU 85 2HB GLU 85 13.501 -7.304 -2.010 703 1HG GLU 85 1HG GLU 85 15.618 -8.542 -1.934 704 2HG GLU 85 2HG GLU 85 15.119 -9.396 -0.471 705 H ALA 86 H ALA 86 14.711 -5.459 -2.121 706 HA ALA 86 HA ALA 86 17.432 -5.835 -2.692 707 1HB ALA 86 2HB ALA 86 15.539 -5.333 -4.281 708 2HB ALA 86 3HB ALA 86 15.592 -3.646 -3.745 709 3HB ALA 86 1HB ALA 86 16.997 -4.385 -4.558 710 H PHE 87 H PHE 87 16.004 -3.721 -0.387 711 HA PHE 87 HA PHE 87 17.976 -1.770 0.016 712 1HB PHE 87 1HB PHE 87 15.885 -2.976 1.567 713 2HB PHE 87 2HB PHE 87 17.327 -3.235 2.489 714 HD1 PHE 87 1HD PHE 87 15.115 -0.651 0.981 715 HD2 PHE 87 2HD PHE 87 18.364 -1.425 3.719 716 HE1 PHE 87 1HE PHE 87 14.957 1.667 1.840 717 HE2 PHE 87 2HE PHE 87 18.206 0.877 4.556 718 HZ PHE 87 HZ PHE 87 16.553 2.460 3.581 719 H ARG 88 H ARG 88 17.890 -5.227 1.023 720 HA ARG 88 HA ARG 88 20.444 -5.176 2.284 721 1HB ARG 88 1HB ARG 88 18.511 -6.767 2.618 722 2HB ARG 88 2HB ARG 88 18.998 -7.610 1.137 723 1HG ARG 88 1HG ARG 88 21.123 -8.262 2.063 724 2HG ARG 88 2HG ARG 88 20.970 -7.134 3.402 725 1HD ARG 88 1HD ARG 88 19.337 -9.662 2.973 726 2HD ARG 88 2HD ARG 88 20.543 -9.365 4.242 727 HE ARG 88 HE ARG 88 18.867 -7.370 4.790 728 1HH1 ARG 88 2HH2 ARG 88 18.586 -10.629 5.432 729 2HH1 ARG 88 1HH2 ARG 88 16.892 -10.886 5.211 730 1HH2 ARG 88 2HH1 ARG 88 16.497 -7.307 5.121 731 2HH2 ARG 88 1HH1 ARG 88 15.747 -8.811 5.588 732 H HIS 89 H HIS 89 19.508 -5.569 -1.058 733 HA HIS 89 HA HIS 89 21.969 -6.813 -1.938 734 1HB HIS 89 1HB HIS 89 20.268 -7.036 -3.489 735 2HB HIS 89 2HB HIS 89 19.669 -5.409 -3.279 736 HD1 HIS 89 1HD HIS 89 23.279 -6.551 -4.285 737 HD2 HIS 89 2HD HIS 89 20.067 -4.090 -5.468 738 HE1 HIS 89 1HE HIS 89 24.083 -5.220 -6.286 739 H LYS 90 H LYS 90 20.818 -3.385 -1.828 740 HA LYS 90 HA LYS 90 23.443 -2.536 -2.851 741 1HB LYS 90 1HB LYS 90 21.155 -0.823 -1.831 742 2HB LYS 90 2HB LYS 90 22.588 -0.291 -2.732 743 1HG LYS 90 1HG LYS 90 21.860 -1.992 -4.534 744 2HG LYS 90 2HG LYS 90 20.314 -2.078 -3.675 745 1HD LYS 90 1HD LYS 90 21.643 0.363 -4.925 746 2HD LYS 90 2HD LYS 90 20.232 -0.521 -5.516 747 1HE LYS 90 1HE LYS 90 18.917 0.239 -3.533 748 2HE LYS 90 2HE LYS 90 20.343 1.092 -2.910 749 1HZ LYS 90 1HZ LYS 90 19.106 1.701 -5.508 750 2HZ LYS 90 2HZ LYS 90 18.833 2.555 -4.107 751 3HZ LYS 90 3HZ LYS 90 20.340 2.502 -4.764 752 H LEU 91 H LEU 91 21.667 -2.165 0.247 753 HA LEU 91 HA LEU 91 23.905 -1.052 1.505 754 1HB LEU 91 1HB LEU 91 21.274 -1.862 2.762 755 2HB LEU 91 2HB LEU 91 22.522 -0.839 3.463 756 HG LEU 91 HG LEU 91 21.000 0.709 2.866 757 1HD1 LEU 91 2HD1 LEU 91 23.088 1.449 1.809 758 2HD1 LEU 91 3HD1 LEU 91 22.667 0.623 0.303 759 3HD1 LEU 91 1HD1 LEU 91 21.691 1.968 0.875 760 1HD2 LEU 91 1HD2 LEU 91 19.515 -0.873 1.641 761 2HD2 LEU 91 2HD2 LEU 91 19.558 0.770 1.004 762 3HD2 LEU 91 3HD2 LEU 91 20.418 -0.516 0.164 763 H ALA 92 H ALA 92 23.085 -2.671 4.073 764 HA ALA 92 HA ALA 92 24.270 -4.198 5.246 765 1HB ALA 92 2HB ALA 92 22.860 -5.815 3.983 766 2HB ALA 92 3HB ALA 92 24.157 -5.985 2.783 767 3HB ALA 92 1HB ALA 92 24.437 -6.463 4.467 768 H MET 93 H MET 93 25.490 -2.152 4.036 769 HA MET 93 HA MET 93 28.207 -2.435 4.426 770 1HB MET 93 1HB MET 93 28.995 -2.084 2.009 771 2HB MET 93 2HB MET 93 28.552 -3.720 2.430 772 1HG MET 93 1HG MET 93 26.684 -3.730 1.094 773 2HG MET 93 2HG MET 93 26.396 -1.992 1.215 774 1HE MET 93 1HE MET 93 27.213 -0.246 -0.268 775 2HE MET 93 2HE MET 93 28.918 -0.502 0.182 776 3HE MET 93 3HE MET 93 28.441 -0.426 -1.530 777 H ASP 94 H ASP 94 26.325 -0.795 5.344 778 HA ASP 94 HA ASP 94 26.883 1.828 4.096 779 1HB ASP 94 1HB ASP 94 24.931 0.914 2.849 780 2HB ASP 94 2HB ASP 94 24.025 0.741 4.343 781 H THR 95 H THR 95 24.455 0.416 6.276 782 HA THR 95 HA THR 95 25.326 1.914 8.631 783 HB THR 95 HB THR 95 22.886 2.732 8.797 784 HG1 THR 95 1HG THR 95 22.964 2.418 5.963 785 1HG2 THR 95 2HG2 THR 95 24.744 4.283 8.339 786 2HG2 THR 95 3HG2 THR 95 24.554 4.018 6.593 787 3HG2 THR 95 1HG2 THR 95 23.250 4.770 7.525 788 H TYR 96 H TYR 96 24.242 0.969 10.501 789 HA TYR 96 HA TYR 96 23.401 -0.763 11.717 790 1HB TYR 96 1HB TYR 96 21.354 0.175 10.843 791 2HB TYR 96 2HB TYR 96 21.494 -0.724 9.349 792 HD1 TYR 96 2HD TYR 96 21.480 -1.689 13.024 793 HD2 TYR 96 1HD TYR 96 19.781 -2.187 9.098 794 HE1 TYR 96 2HE TYR 96 20.139 -3.619 13.834 795 HE2 TYR 96 1HE TYR 96 18.430 -4.088 9.914 796 HH TYR 96 HH TYR 96 17.958 -5.480 11.687 797 H LYS 97 H LYS 97 22.443 -3.365 11.055 798 HA LYS 97 HA LYS 97 24.780 -4.585 9.869 799 1HB LYS 97 1HB LYS 97 23.899 -5.422 12.014 800 2HB LYS 97 2HB LYS 97 22.384 -5.868 11.217 801 1HG LYS 97 1HG LYS 97 23.503 -7.413 9.755 802 2HG LYS 97 2HG LYS 97 25.105 -6.954 10.298 803 1HD LYS 97 1HD LYS 97 23.046 -8.060 12.277 804 2HD LYS 97 2HD LYS 97 23.873 -9.139 11.174 805 1HE LYS 97 1HE LYS 97 25.027 -9.117 13.315 806 2HE LYS 97 2HE LYS 97 26.069 -8.557 12.004 807 1HZ LYS 97 2HZ LYS 97 24.688 -6.814 13.942 808 2HZ LYS 97 3HZ LYS 97 26.285 -7.202 13.967 809 3HZ LYS 97 1HZ LYS 97 25.683 -6.304 12.731 810 H LEU 98 H LEU 98 21.240 -4.440 9.534 811 HA LEU 98 HA LEU 98 19.799 -4.989 7.916 812 1HB LEU 98 1HB LEU 98 21.339 -2.984 6.976 813 2HB LEU 98 2HB LEU 98 21.763 -4.186 5.775 814 HG LEU 98 HG LEU 98 20.037 -2.869 4.874 815 1HD1 LEU 98 3HD1 LEU 98 19.623 -5.239 4.423 816 2HD1 LEU 98 1HD1 LEU 98 18.597 -5.363 5.873 817 3HD1 LEU 98 2HD1 LEU 98 18.114 -4.333 4.516 818 1HD2 LEU 98 2HD2 LEU 98 19.251 -1.775 6.901 819 2HD2 LEU 98 3HD2 LEU 98 17.895 -2.367 5.944 820 3HD2 LEU 98 1HD2 LEU 98 18.383 -3.250 7.398 821 H ASN 99 H ASN 99 21.034 -7.182 8.858 822 HA ASN 99 HA ASN 99 21.817 -8.929 6.598 823 1HB ASN 99 2HB ASN 99 21.852 -10.728 8.164 824 2HB ASN 99 3HB ASN 99 22.762 -9.393 8.859 825 1HD2 ASN 99 2HD2 ASN 99 19.115 -10.546 10.512 826 2HD2 ASN 99 1HD2 ASN 99 19.480 -10.825 8.806 No H/Q in entry = 826 Start of MODEL 5 1 1H MET 0 1H MET 0 -3.988 13.473 17.618 2 2H MET 0 2H MET 0 -4.143 13.021 19.167 3 3H MET 0 3H MET 0 -3.275 12.096 18.117 4 HA MET 0 HA MET 0 -4.989 11.498 16.788 5 1HB MET 0 2HB MET 0 -6.301 10.064 18.004 6 2HB MET 0 3HB MET 0 -4.706 10.157 18.764 7 1HG MET 0 2HG MET 0 -7.309 11.288 19.814 8 2HG MET 0 3HG MET 0 -6.415 9.906 20.414 9 1HE MET 0 3HE MET 0 -6.870 10.908 22.759 10 2HE MET 0 1HE MET 0 -6.321 12.517 23.279 11 3HE MET 0 2HE MET 0 -7.595 12.371 22.047 12 H ALA 1 H ALA 1 -6.699 13.374 19.367 13 HA ALA 1 HA ALA 1 -8.688 14.373 19.350 14 1HB ALA 1 3HB ALA 1 -7.757 16.023 17.802 15 2HB ALA 1 1HB ALA 1 -8.283 15.060 16.403 16 3HB ALA 1 2HB ALA 1 -9.476 15.733 17.530 17 H ARG 2 H ARG 2 -9.694 13.539 16.064 18 HA ARG 2 HA ARG 2 -11.128 11.226 17.037 19 1HB ARG 2 1HB ARG 2 -11.508 12.639 14.833 20 2HB ARG 2 2HB ARG 2 -10.399 11.493 14.102 21 1HG ARG 2 1HG ARG 2 -12.725 10.476 15.765 22 2HG ARG 2 2HG ARG 2 -13.054 11.138 14.159 23 1HD ARG 2 1HD ARG 2 -11.729 9.473 13.089 24 2HD ARG 2 2HD ARG 2 -11.070 8.911 14.628 25 HE ARG 2 HE ARG 2 -13.135 7.945 15.275 26 1HH1 ARG 2 2HH2 ARG 2 -13.450 9.123 11.954 27 2HH1 ARG 2 1HH2 ARG 2 -14.158 7.652 11.340 28 1HH2 ARG 2 2HH1 ARG 2 -14.442 6.138 14.553 29 2HH2 ARG 2 1HH1 ARG 2 -15.049 6.155 12.940 30 H ILE 3 H ILE 3 -10.341 9.203 17.325 31 HA ILE 3 HA ILE 3 -7.574 8.441 16.835 32 HB ILE 3 HB ILE 3 -8.418 6.227 17.481 33 1HG1 ILE 3 1HG1 ILE 3 -11.039 7.402 18.397 34 2HG1 ILE 3 2HG1 ILE 3 -10.954 6.924 16.713 35 1HG2 ILE 3 1HG2 ILE 3 -7.545 7.845 19.128 36 2HG2 ILE 3 2HG2 ILE 3 -9.175 8.487 19.388 37 3HG2 ILE 3 3HG2 ILE 3 -8.793 6.814 19.837 38 1HD1 ILE 3 3HD1 ILE 3 -10.305 5.097 19.049 39 2HD1 ILE 3 1HD1 ILE 3 -11.799 5.110 18.082 40 3HD1 ILE 3 2HD1 ILE 3 -10.261 4.656 17.327 41 H ASP 4 H ASP 4 -7.649 9.288 14.606 42 HA ASP 4 HA ASP 4 -9.608 8.669 12.906 43 1HB ASP 4 1HB ASP 4 -8.572 9.681 11.188 44 2HB ASP 4 2HB ASP 4 -7.870 10.458 12.602 45 HA PRO 5 HA PRO 5 -8.589 4.486 11.440 46 1HB PRO 5 1HB PRO 5 -10.819 4.000 9.992 47 2HB PRO 5 2HB PRO 5 -10.848 4.009 11.781 48 1HG PRO 5 1HG PRO 5 -11.673 6.233 9.911 49 2HG PRO 5 2HG PRO 5 -12.551 5.615 11.335 50 1HD PRO 5 1HD PRO 5 -10.918 7.837 11.373 51 2HD PRO 5 2HD PRO 5 -11.133 6.779 12.812 52 H THR 6 H THR 6 -6.935 6.031 10.497 53 HA THR 6 HA THR 6 -5.691 6.668 8.710 54 HB THR 6 HB THR 6 -5.719 4.759 6.979 55 HG1 THR 6 1HG THR 6 -7.959 4.112 7.546 56 1HG2 THR 6 3HG2 THR 6 -5.428 4.323 10.011 57 2HG2 THR 6 1HG2 THR 6 -4.746 3.236 8.808 58 3HG2 THR 6 2HG2 THR 6 -4.200 4.909 8.886 59 H LYS 7 H LYS 7 -7.352 8.483 8.712 60 HA LYS 7 HA LYS 7 -8.834 8.722 6.181 61 1HB LYS 7 1HB LYS 7 -9.428 10.944 6.872 62 2HB LYS 7 2HB LYS 7 -9.750 9.759 8.130 63 1HG LYS 7 1HG LYS 7 -8.754 11.150 9.569 64 2HG LYS 7 2HG LYS 7 -7.238 10.631 8.860 65 1HD LYS 7 1HD LYS 7 -7.957 12.698 7.134 66 2HD LYS 7 2HD LYS 7 -8.774 13.188 8.616 67 1HE LYS 7 1HE LYS 7 -6.626 14.225 8.634 68 2HE LYS 7 2HE LYS 7 -6.575 12.940 9.853 69 1HZ LYS 7 1HZ LYS 7 -5.410 11.570 8.183 70 2HZ LYS 7 2HZ LYS 7 -5.471 12.795 7.097 71 3HZ LYS 7 3HZ LYS 7 -4.573 12.925 8.466 72 H LYS 8 H LYS 8 -6.936 8.069 4.940 73 HA LYS 8 HA LYS 8 -5.176 8.486 3.516 74 1HB LYS 8 1HB LYS 8 -7.165 9.931 2.743 75 2HB LYS 8 2HB LYS 8 -6.363 11.291 3.506 76 1HG LYS 8 1HG LYS 8 -5.848 11.479 1.305 77 2HG LYS 8 2HG LYS 8 -4.364 10.726 1.914 78 1HD LYS 8 1HD LYS 8 -5.242 8.504 1.161 79 2HD LYS 8 2HD LYS 8 -6.706 9.270 0.559 80 1HE LYS 8 1HE LYS 8 -3.876 9.777 -0.483 81 2HE LYS 8 2HE LYS 8 -5.130 8.773 -1.244 82 1HZ LYS 8 3HZ LYS 8 -6.484 10.737 -1.492 83 2HZ LYS 8 1HZ LYS 8 -5.283 11.692 -0.914 84 3HZ LYS 8 2HZ LYS 8 -5.069 10.858 -2.315 85 H GLY 9 H GLY 9 -3.983 8.437 5.936 86 1HA GLY 9 1HA GLY 9 -2.819 11.013 6.633 87 2HA GLY 9 2HA GLY 9 -2.481 9.446 7.373 88 H ARG 10 H ARG 10 -1.274 7.882 6.094 89 HA ARG 10 HA ARG 10 0.559 8.796 3.992 90 1HB ARG 10 1HB ARG 10 1.427 7.929 6.788 91 2HB ARG 10 2HB ARG 10 2.555 8.126 5.445 92 1HG ARG 10 1HG ARG 10 2.276 10.497 5.405 93 2HG ARG 10 2HG ARG 10 0.941 10.463 6.545 94 1HD ARG 10 1HD ARG 10 3.411 9.175 7.590 95 2HD ARG 10 2HD ARG 10 3.528 10.888 7.228 96 HE ARG 10 HE ARG 10 1.913 11.489 8.737 97 1HH1 ARG 10 2HH2 ARG 10 2.385 7.931 8.852 98 2HH1 ARG 10 1HH2 ARG 10 1.506 7.757 10.335 99 1HH2 ARG 10 2HH1 ARG 10 0.824 11.216 10.777 100 2HH2 ARG 10 1HH1 ARG 10 0.387 9.591 11.242 101 H ARG 11 H ARG 11 2.215 6.777 3.902 102 HA ARG 11 HA ARG 11 1.033 4.319 3.448 103 1HB ARG 11 1HB ARG 11 3.161 4.826 2.657 104 2HB ARG 11 2HB ARG 11 3.800 5.212 4.257 105 1HG ARG 11 1HG ARG 11 3.014 2.358 3.549 106 2HG ARG 11 2HG ARG 11 4.519 3.070 2.983 107 1HD ARG 11 1HD ARG 11 4.914 3.729 5.529 108 2HD ARG 11 2HD ARG 11 3.702 2.496 5.842 109 HE ARG 11 HE ARG 11 5.292 0.911 5.512 110 1HH1 ARG 11 2HH2 ARG 11 6.475 3.938 4.055 111 2HH1 ARG 11 1HH2 ARG 11 8.017 3.258 3.637 112 1HH2 ARG 11 2HH1 ARG 11 7.290 0.018 4.857 113 2HH2 ARG 11 1HH1 ARG 11 8.565 1.076 4.319 114 H ASN 12 H ASN 12 0.892 2.461 4.661 115 HA ASN 12 HA ASN 12 0.283 1.188 6.444 116 1HB ASN 12 1HB ASN 12 2.197 2.082 7.823 117 2HB ASN 12 2HB ASN 12 1.117 3.366 8.400 118 1HD2 ASN 12 2HD2 ASN 12 0.462 -0.526 9.631 119 2HD2 ASN 12 1HD2 ASN 12 1.248 -0.236 8.108 120 H ARG 13 H ARG 13 -1.122 3.657 5.090 121 HA ARG 13 HA ARG 13 -3.363 4.267 6.721 122 1HB ARG 13 1HB ARG 13 -4.590 4.488 4.604 123 2HB ARG 13 2HB ARG 13 -3.051 5.346 4.561 124 1HG ARG 13 1HG ARG 13 -2.123 3.249 3.310 125 2HG ARG 13 2HG ARG 13 -3.832 2.792 3.132 126 1HD ARG 13 1HD ARG 13 -4.154 5.250 2.228 127 2HD ARG 13 2HD ARG 13 -2.403 5.310 2.223 128 HE ARG 13 HE ARG 13 -2.316 4.027 0.327 129 1HH1 ARG 13 2HH2 ARG 13 -5.477 3.667 1.848 130 2HH1 ARG 13 1HH2 ARG 13 -6.302 3.070 0.448 131 1HH2 ARG 13 2HH1 ARG 13 -3.398 3.286 -1.630 132 2HH2 ARG 13 1HH1 ARG 13 -5.076 2.783 -1.539 133 H PHE 14 H PHE 14 -2.536 1.452 4.800 134 HA PHE 14 HA PHE 14 -4.908 -0.072 5.793 135 1HB PHE 14 1HB PHE 14 -4.898 0.014 3.457 136 2HB PHE 14 2HB PHE 14 -3.150 -0.087 3.339 137 HD1 PHE 14 2HD PHE 14 -6.144 -2.164 4.294 138 HD2 PHE 14 1HD PHE 14 -1.947 -2.079 3.248 139 HE1 PHE 14 2HE PHE 14 -6.137 -4.624 4.016 140 HE2 PHE 14 1HE PHE 14 -2.022 -4.469 2.797 141 HZ PHE 14 HZ PHE 14 -4.148 -5.745 3.052 142 H LYS 15 H LYS 15 -4.464 -2.307 6.423 143 HA LYS 15 HA LYS 15 -1.723 -3.060 7.031 144 1HB LYS 15 1HB LYS 15 -2.131 -3.493 9.385 145 2HB LYS 15 2HB LYS 15 -2.360 -1.781 9.021 146 1HG LYS 15 1HG LYS 15 -4.948 -2.621 8.757 147 2HG LYS 15 2HG LYS 15 -4.343 -3.897 9.810 148 1HD LYS 15 1HD LYS 15 -5.152 -2.324 11.297 149 2HD LYS 15 2HD LYS 15 -3.416 -1.969 11.313 150 1HE LYS 15 1HE LYS 15 -3.843 -0.077 9.656 151 2HE LYS 15 2HE LYS 15 -5.554 -0.527 9.646 152 1HZ LYS 15 2HZ LYS 15 -5.387 -0.038 12.170 153 2HZ LYS 15 3HZ LYS 15 -4.090 0.890 11.737 154 3HZ LYS 15 1HZ LYS 15 -5.560 1.153 11.079 155 H TRP 16 H TRP 16 -1.502 -5.193 6.669 156 HA TRP 16 HA TRP 16 -3.634 -6.649 5.454 157 1HB TRP 16 1HB TRP 16 -0.876 -7.462 6.440 158 2HB TRP 16 2HB TRP 16 -1.934 -8.502 5.494 159 HD1 TRP 16 HD TRP 16 0.501 -5.667 5.075 160 HE1 TRP 16 1HE TRP 16 0.911 -5.237 2.602 161 HE3 TRP 16 3HE TRP 16 -3.386 -8.354 3.183 162 HZ2 TRP 16 2HZ TRP 16 -0.419 -5.951 0.042 163 HZ3 TRP 16 3HZ TRP 16 -3.352 -8.968 0.776 164 HH2 TRP 16 HH TRP 16 -2.129 -7.518 -0.821 165 H GLY 17 H GLY 17 -4.156 -8.933 6.120 166 1HA GLY 17 1HA GLY 17 -5.221 -8.999 8.864 167 2HA GLY 17 2HA GLY 17 -5.464 -10.188 7.573 168 HA PRO 18 HA PRO 18 -2.147 -11.856 10.477 169 1HB PRO 18 1HB PRO 18 -3.556 -13.933 11.596 170 2HB PRO 18 2HB PRO 18 -3.441 -12.305 12.300 171 1HG PRO 18 1HG PRO 18 -5.759 -13.485 10.789 172 2HG PRO 18 2HG PRO 18 -5.762 -12.371 12.166 173 1HD PRO 18 1HD PRO 18 -6.083 -11.609 9.493 174 2HD PRO 18 2HD PRO 18 -5.546 -10.521 10.797 175 H ALA 19 H ALA 19 -4.630 -14.015 9.332 176 HA ALA 19 HA ALA 19 -3.048 -16.010 8.201 177 1HB ALA 19 3HB ALA 19 -5.449 -16.163 8.672 178 2HB ALA 19 1HB ALA 19 -5.815 -15.102 7.306 179 3HB ALA 19 2HB ALA 19 -5.086 -16.704 7.023 180 H SER 20 H SER 20 -4.423 -13.153 6.625 181 HA SER 20 HA SER 20 -3.614 -13.224 4.032 182 1HB SER 20 1HB SER 20 -4.687 -11.336 5.263 183 2HB SER 20 2HB SER 20 -3.103 -10.971 5.996 184 HG SER 20 HG SER 20 -3.698 -10.924 3.239 185 H GLN 21 H GLN 21 -1.359 -12.773 6.834 186 HA GLN 21 HA GLN 21 0.955 -12.153 5.280 187 1HB GLN 21 1HB GLN 21 0.785 -13.567 7.947 188 2HB GLN 21 2HB GLN 21 2.236 -12.860 7.223 189 1HG GLN 21 1HG GLN 21 -0.222 -11.342 8.156 190 2HG GLN 21 2HG GLN 21 1.318 -11.442 8.992 191 1HE2 GLN 21 2HE2 GLN 21 1.043 -9.084 5.588 192 2HE2 GLN 21 1HE2 GLN 21 -0.173 -10.315 5.925 193 H GLN 22 H GLN 22 -0.621 -15.250 5.993 194 HA GLN 22 HA GLN 22 1.586 -16.926 5.397 195 1HB GLN 22 1HB GLN 22 -0.834 -17.393 6.424 196 2HB GLN 22 2HB GLN 22 -1.260 -17.713 4.748 197 1HG GLN 22 1HG GLN 22 -0.654 -19.784 5.830 198 2HG GLN 22 2HG GLN 22 0.580 -19.386 4.626 199 1HE2 GLN 22 2HE2 GLN 22 1.514 -18.980 8.667 200 2HE2 GLN 22 1HE2 GLN 22 -0.152 -18.774 8.139 201 H ILE 23 H ILE 23 -1.124 -15.737 3.420 202 HA ILE 23 HA ILE 23 -0.264 -16.717 0.914 203 HB ILE 23 HB ILE 23 -1.914 -14.250 1.650 204 1HG1 ILE 23 1HG1 ILE 23 -3.738 -15.714 0.685 205 2HG1 ILE 23 2HG1 ILE 23 -2.580 -17.079 0.790 206 1HG2 ILE 23 3HG2 ILE 23 -0.937 -14.010 -0.609 207 2HG2 ILE 23 1HG2 ILE 23 -1.587 -15.589 -1.066 208 3HG2 ILE 23 2HG2 ILE 23 -2.683 -14.253 -0.667 209 1HD1 ILE 23 3HD1 ILE 23 -3.516 -15.473 3.164 210 2HD1 ILE 23 1HD1 ILE 23 -4.328 -16.930 2.537 211 3HD1 ILE 23 2HD1 ILE 23 -2.677 -17.061 3.137 212 H LEU 24 H LEU 24 0.415 -13.642 2.607 213 HA LEU 24 HA LEU 24 1.936 -12.610 0.378 214 1HB LEU 24 1HB LEU 24 1.558 -11.764 3.255 215 2HB LEU 24 2HB LEU 24 2.551 -10.831 2.130 216 HG LEU 24 HG LEU 24 -0.207 -11.718 1.248 217 1HD1 LEU 24 1HD1 LEU 24 -0.426 -10.559 3.494 218 2HD1 LEU 24 2HD1 LEU 24 0.139 -9.097 2.644 219 3HD1 LEU 24 3HD1 LEU 24 -1.308 -9.974 2.083 220 1HD2 LEU 24 3HD2 LEU 24 1.418 -10.516 -0.355 221 2HD2 LEU 24 1HD2 LEU 24 -0.159 -9.724 -0.123 222 3HD2 LEU 24 2HD2 LEU 24 1.239 -9.121 0.745 223 H PHE 25 H PHE 25 2.801 -14.942 2.714 224 HA PHE 25 HA PHE 25 5.695 -14.674 2.086 225 1HB PHE 25 1HB PHE 25 4.148 -16.945 3.413 226 2HB PHE 25 2HB PHE 25 5.843 -16.982 2.991 227 HD1 PHE 25 1HD PHE 25 7.342 -14.991 3.891 228 HD2 PHE 25 2HD PHE 25 3.657 -16.365 5.668 229 HE1 PHE 25 1HE PHE 25 7.979 -13.946 6.041 230 HE2 PHE 25 2HE PHE 25 4.267 -15.259 7.791 231 HZ PHE 25 HZ PHE 25 6.426 -14.048 7.979 232 H GLN 26 H GLN 26 2.985 -16.961 1.428 233 HA GLN 26 HA GLN 26 4.401 -18.618 -0.214 234 1HB GLN 26 1HB GLN 26 2.467 -19.756 -0.559 235 2HB GLN 26 2HB GLN 26 1.947 -18.731 0.771 236 1HG GLN 26 1HG GLN 26 0.932 -17.181 -1.022 237 2HG GLN 26 2HG GLN 26 1.376 -18.435 -2.184 238 1HE2 GLN 26 2HE2 GLN 26 -2.025 -19.441 -1.737 239 2HE2 GLN 26 1HE2 GLN 26 -0.779 -18.749 -2.772 240 H ALA 27 H ALA 27 2.500 -15.776 -1.312 241 HA ALA 27 HA ALA 27 3.003 -16.234 -4.076 242 1HB ALA 27 2HB ALA 27 1.991 -13.852 -2.441 243 2HB ALA 27 3HB ALA 27 1.969 -13.921 -4.214 244 3HB ALA 27 1HB ALA 27 1.003 -15.069 -3.269 245 H TYR 28 H TYR 28 4.332 -14.032 -1.565 246 HA TYR 28 HA TYR 28 5.977 -12.655 -3.414 247 1HB TYR 28 1HB TYR 28 5.250 -11.968 -1.033 248 2HB TYR 28 2HB TYR 28 6.529 -13.001 -0.436 249 HD1 TYR 28 2HD TYR 28 7.048 -10.893 -3.532 250 HD2 TYR 28 1HD TYR 28 7.553 -11.132 0.758 251 HE1 TYR 28 2HE TYR 28 8.213 -8.774 -3.553 252 HE2 TYR 28 1HE TYR 28 8.900 -9.055 0.677 253 HH TYR 28 HH TYR 28 10.201 -7.738 -1.016 254 H GLU 29 H GLU 29 6.331 -15.727 -1.762 255 HA GLU 29 HA GLU 29 9.157 -15.847 -2.396 256 1HB GLU 29 1HB GLU 29 7.925 -17.081 -0.434 257 2HB GLU 29 2HB GLU 29 7.523 -18.285 -1.675 258 1HG GLU 29 1HG GLU 29 9.624 -18.895 -0.647 259 2HG GLU 29 2HG GLU 29 9.966 -18.364 -2.277 260 H ARG 30 H ARG 30 6.162 -17.353 -3.631 261 HA ARG 30 HA ARG 30 7.698 -18.926 -5.352 262 1HB ARG 30 1HB ARG 30 5.499 -19.542 -4.521 263 2HB ARG 30 2HB ARG 30 4.710 -18.254 -5.420 264 1HG ARG 30 1HG ARG 30 6.342 -20.405 -6.842 265 2HG ARG 30 2HG ARG 30 4.710 -20.764 -6.279 266 1HD ARG 30 1HD ARG 30 5.411 -18.586 -8.290 267 2HD ARG 30 2HD ARG 30 4.686 -20.129 -8.649 268 HE ARG 30 HE ARG 30 3.465 -17.805 -7.211 269 1HH1 ARG 30 2HH2 ARG 30 2.882 -20.998 -8.754 270 2HH1 ARG 30 1HH2 ARG 30 1.155 -20.818 -8.609 271 1HH2 ARG 30 2HH1 ARG 30 1.235 -17.690 -6.980 272 2HH2 ARG 30 1HH1 ARG 30 0.220 -18.829 -7.811 273 H GLN 31 H GLN 31 5.803 -15.896 -5.930 274 HA GLN 31 HA GLN 31 7.354 -15.494 -8.457 275 1HB GLN 31 1HB GLN 31 4.791 -16.131 -8.546 276 2HB GLN 31 2HB GLN 31 4.572 -14.423 -8.154 277 1HG GLN 31 1HG GLN 31 5.926 -13.841 -10.142 278 2HG GLN 31 2HG GLN 31 6.157 -15.557 -10.510 279 1HE2 GLN 31 2HE2 GLN 31 2.742 -16.073 -11.582 280 2HE2 GLN 31 1HE2 GLN 31 4.195 -16.856 -11.055 281 H LYS 32 H LYS 32 8.582 -14.740 -6.392 282 HA LYS 32 HA LYS 32 8.312 -12.350 -5.108 283 1HB LYS 32 1HB LYS 32 10.188 -14.039 -4.976 284 2HB LYS 32 2HB LYS 32 10.784 -13.455 -6.516 285 1HG LYS 32 1HG LYS 32 12.254 -12.554 -4.964 286 2HG LYS 32 2HG LYS 32 11.238 -11.220 -5.468 287 1HD LYS 32 1HD LYS 32 11.400 -10.853 -3.192 288 2HD LYS 32 2HD LYS 32 9.873 -11.724 -3.263 289 1HE LYS 32 1HE LYS 32 12.641 -12.865 -2.517 290 2HE LYS 32 2HE LYS 32 11.347 -12.430 -1.394 291 1HZ LYS 32 3HZ LYS 32 9.977 -14.119 -2.517 292 2HZ LYS 32 1HZ LYS 32 11.303 -14.646 -3.334 293 3HZ LYS 32 2HZ LYS 32 11.280 -14.788 -1.753 294 H ASN 33 H ASN 33 8.853 -12.685 -8.541 295 HA ASN 33 HA ASN 33 8.801 -9.737 -8.898 296 1HB ASN 33 1HB ASN 33 9.600 -10.020 -11.097 297 2HB ASN 33 2HB ASN 33 10.756 -10.721 -9.969 298 1HD2 ASN 33 2HD2 ASN 33 10.187 -14.092 -11.208 299 2HD2 ASN 33 1HD2 ASN 33 10.589 -13.239 -9.730 300 HA PRO 34 HA PRO 34 4.717 -11.655 -9.343 301 1HB PRO 34 1HB PRO 34 3.113 -9.508 -8.811 302 2HB PRO 34 2HB PRO 34 4.010 -10.430 -7.571 303 1HG PRO 34 1HG PRO 34 4.816 -7.838 -8.931 304 2HG PRO 34 2HG PRO 34 4.800 -8.193 -7.174 305 1HD PRO 34 1HD PRO 34 7.071 -8.399 -8.605 306 2HD PRO 34 2HD PRO 34 6.673 -9.630 -7.362 307 H SER 35 H SER 35 4.372 -12.220 -11.409 308 HA SER 35 HA SER 35 4.442 -10.357 -13.641 309 1HB SER 35 1HB SER 35 5.413 -12.563 -13.841 310 2HB SER 35 2HB SER 35 3.868 -13.350 -13.480 311 HG SER 35 HG SER 35 4.456 -13.104 -15.775 312 H LYS 36 H LYS 36 1.944 -12.704 -14.043 313 HA LYS 36 HA LYS 36 -0.118 -10.569 -13.794 314 1HB LYS 36 1HB LYS 36 0.554 -11.814 -16.044 315 2HB LYS 36 2HB LYS 36 -0.532 -13.055 -15.460 316 1HG LYS 36 1HG LYS 36 -1.083 -10.170 -16.193 317 2HG LYS 36 2HG LYS 36 -1.734 -11.615 -16.954 318 1HD LYS 36 1HD LYS 36 -2.477 -10.465 -14.219 319 2HD LYS 36 2HD LYS 36 -3.436 -10.368 -15.681 320 1HE LYS 36 1HE LYS 36 -3.942 -12.729 -15.667 321 2HE LYS 36 2HE LYS 36 -2.767 -13.070 -14.420 322 1HZ LYS 36 2HZ LYS 36 -4.142 -11.613 -12.931 323 2HZ LYS 36 3HZ LYS 36 -5.235 -11.461 -14.116 324 3HZ LYS 36 1HZ LYS 36 -4.949 -12.931 -13.448 325 H GLU 37 H GLU 37 0.084 -14.103 -13.559 326 HA GLU 37 HA GLU 37 -2.519 -14.429 -12.417 327 1HB GLU 37 1HB GLU 37 -2.092 -16.249 -13.409 328 2HB GLU 37 2HB GLU 37 -0.368 -16.073 -13.397 329 1HG GLU 37 1HG GLU 37 -1.897 -16.889 -10.879 330 2HG GLU 37 2HG GLU 37 -1.463 -17.961 -12.182 331 H GLU 38 H GLU 38 0.669 -14.664 -10.887 332 HA GLU 38 HA GLU 38 -0.049 -15.326 -8.454 333 1HB GLU 38 1HB GLU 38 2.308 -14.894 -8.988 334 2HB GLU 38 2HB GLU 38 2.090 -13.146 -8.792 335 1HG GLU 38 1HG GLU 38 2.987 -13.790 -6.753 336 2HG GLU 38 2HG GLU 38 1.278 -13.666 -6.396 337 H ARG 39 H ARG 39 0.005 -11.825 -9.364 338 HA ARG 39 HA ARG 39 -0.950 -11.054 -6.856 339 1HB ARG 39 1HB ARG 39 -1.280 -9.669 -9.579 340 2HB ARG 39 2HB ARG 39 -1.637 -8.886 -8.024 341 1HG ARG 39 1HG ARG 39 0.663 -9.216 -7.280 342 2HG ARG 39 2HG ARG 39 1.064 -10.079 -8.763 343 1HD ARG 39 1HD ARG 39 -0.098 -7.309 -9.015 344 2HD ARG 39 2HD ARG 39 1.547 -7.429 -8.398 345 HE ARG 39 HE ARG 39 1.843 -8.983 -10.535 346 1HH1 ARG 39 2HH2 ARG 39 -0.191 -6.069 -10.689 347 2HH1 ARG 39 1HH2 ARG 39 0.637 -5.509 -12.120 348 1HH2 ARG 39 2HH1 ARG 39 3.024 -8.026 -12.235 349 2HH2 ARG 39 1HH1 ARG 39 2.366 -6.572 -13.004 350 H GLU 40 H GLU 40 -2.865 -11.861 -9.749 351 HA GLU 40 HA GLU 40 -5.395 -11.056 -8.737 352 1HB GLU 40 1HB GLU 40 -4.373 -12.643 -10.923 353 2HB GLU 40 2HB GLU 40 -5.806 -13.392 -10.242 354 1HG GLU 40 1HG GLU 40 -6.644 -11.946 -11.918 355 2HG GLU 40 2HG GLU 40 -7.028 -11.197 -10.378 356 H THR 41 H THR 41 -3.790 -14.229 -8.736 357 HA THR 41 HA THR 41 -5.357 -15.677 -6.973 358 HB THR 41 HB THR 41 -2.498 -15.630 -7.797 359 HG1 THR 41 1HG THR 41 -4.398 -17.693 -7.636 360 1HG2 THR 41 3HG2 THR 41 -3.327 -17.144 -5.314 361 2HG2 THR 41 1HG2 THR 41 -1.867 -17.479 -6.287 362 3HG2 THR 41 2HG2 THR 41 -2.040 -15.927 -5.485 363 H LEU 42 H LEU 42 -2.784 -13.299 -6.173 364 HA LEU 42 HA LEU 42 -2.672 -13.953 -3.444 365 1HB LEU 42 1HB LEU 42 -1.180 -12.438 -5.081 366 2HB LEU 42 2HB LEU 42 -2.063 -11.125 -4.308 367 HG LEU 42 HG LEU 42 -0.506 -13.344 -2.906 368 1HD1 LEU 42 2HD1 LEU 42 0.935 -11.900 -4.330 369 2HD1 LEU 42 3HD1 LEU 42 0.336 -10.476 -3.460 370 3HD1 LEU 42 1HD1 LEU 42 1.285 -11.690 -2.597 371 1HD2 LEU 42 1HD2 LEU 42 -2.197 -12.216 -1.462 372 2HD2 LEU 42 2HD2 LEU 42 -0.525 -11.901 -0.971 373 3HD2 LEU 42 3HD2 LEU 42 -1.446 -10.656 -1.833 374 H VAL 43 H VAL 43 -4.575 -11.500 -5.223 375 HA VAL 43 HA VAL 43 -5.938 -10.436 -2.942 376 HB VAL 43 HB VAL 43 -7.007 -10.724 -5.794 377 1HG1 VAL 43 1HG1 VAL 43 -7.772 -8.996 -3.384 378 2HG1 VAL 43 2HG1 VAL 43 -8.405 -8.745 -5.018 379 3HG1 VAL 43 3HG1 VAL 43 -8.776 -10.241 -4.151 380 1HG2 VAL 43 1HG2 VAL 43 -5.552 -8.399 -4.493 381 2HG2 VAL 43 2HG2 VAL 43 -4.915 -9.415 -5.803 382 3HG2 VAL 43 3HG2 VAL 43 -6.339 -8.423 -6.096 383 H GLU 44 H GLU 44 -6.770 -13.030 -5.211 384 HA GLU 44 HA GLU 44 -9.274 -13.793 -4.250 385 1HB GLU 44 1HB GLU 44 -7.754 -14.370 -6.360 386 2HB GLU 44 2HB GLU 44 -7.243 -15.760 -5.408 387 1HG GLU 44 1HG GLU 44 -10.115 -15.110 -6.148 388 2HG GLU 44 2HG GLU 44 -9.004 -16.111 -7.108 389 H GLU 45 H GLU 45 -6.252 -15.512 -3.611 390 HA GLU 45 HA GLU 45 -6.956 -17.219 -1.562 391 1HB GLU 45 1HB GLU 45 -4.788 -16.969 -2.976 392 2HB GLU 45 2HB GLU 45 -4.310 -15.731 -1.829 393 1HG GLU 45 1HG GLU 45 -3.223 -17.683 -1.190 394 2HG GLU 45 2HG GLU 45 -4.600 -17.614 -0.072 395 H CYS 46 H CYS 46 -5.650 -13.870 -1.246 396 HA CYS 46 HA CYS 46 -5.779 -13.812 1.605 397 1HB CYS 46 1HB CYS 46 -5.737 -11.673 -0.533 398 2HB CYS 46 2HB CYS 46 -6.092 -11.236 1.123 399 HG CYS 46 HG CYS 46 -3.501 -10.959 0.276 400 H ASN 47 H ASN 47 -8.199 -13.023 -0.864 401 HA ASN 47 HA ASN 47 -10.177 -11.808 0.841 402 1HB ASN 47 1HB ASN 47 -10.178 -13.044 -1.931 403 2HB ASN 47 2HB ASN 47 -11.706 -12.860 -1.120 404 1HD2 ASN 47 2HD2 ASN 47 -9.593 -9.343 -1.692 405 2HD2 ASN 47 1HD2 ASN 47 -8.758 -10.839 -1.263 406 H ARG 48 H ARG 48 -9.543 -15.115 -0.291 407 HA ARG 48 HA ARG 48 -11.530 -16.535 1.075 408 1HB ARG 48 1HB ARG 48 -9.332 -17.156 -0.474 409 2HB ARG 48 2HB ARG 48 -8.886 -17.838 1.098 410 1HG ARG 48 1HG ARG 48 -11.200 -18.936 1.139 411 2HG ARG 48 2HG ARG 48 -11.387 -18.392 -0.537 412 1HD ARG 48 1HD ARG 48 -9.408 -20.365 0.658 413 2HD ARG 48 2HD ARG 48 -10.520 -20.659 -0.679 414 HE ARG 48 HE ARG 48 -7.824 -19.497 -0.749 415 1HH1 ARG 48 2HH2 ARG 48 -10.902 -19.131 -2.396 416 2HH1 ARG 48 1HH2 ARG 48 -10.154 -18.578 -3.853 417 1HH2 ARG 48 2HH1 ARG 48 -6.867 -19.262 -2.741 418 2HH2 ARG 48 1HH1 ARG 48 -7.864 -18.774 -4.131 419 H ALA 49 H ALA 49 -8.187 -15.847 2.127 420 HA ALA 49 HA ALA 49 -8.633 -16.888 4.762 421 1HB ALA 49 3HB ALA 49 -6.436 -16.850 3.635 422 2HB ALA 49 1HB ALA 49 -6.387 -15.075 3.764 423 3HB ALA 49 2HB ALA 49 -6.366 -16.082 5.225 424 H GLU 50 H GLU 50 -9.387 -13.714 3.539 425 HA GLU 50 HA GLU 50 -9.640 -12.656 6.273 426 1HB GLU 50 1HB GLU 50 -10.357 -11.470 3.606 427 2HB GLU 50 2HB GLU 50 -10.834 -10.833 5.187 428 1HG GLU 50 1HG GLU 50 -8.287 -10.867 5.784 429 2HG GLU 50 2HG GLU 50 -8.055 -10.945 4.026 430 H CYS 51 H CYS 51 -11.685 -14.233 3.750 431 HA CYS 51 HA CYS 51 -13.998 -14.009 5.516 432 1HB CYS 51 1HB CYS 51 -15.352 -14.915 3.951 433 2HB CYS 51 2HB CYS 51 -14.234 -13.881 3.033 434 HG CYS 51 HG CYS 51 -14.181 -17.180 3.384 435 H ILE 52 H ILE 52 -12.105 -15.020 6.929 436 HA ILE 52 HA ILE 52 -13.214 -17.597 7.799 437 HB ILE 52 HB ILE 52 -10.233 -16.945 7.502 438 1HG1 ILE 52 1HG1 ILE 52 -12.156 -18.716 6.107 439 2HG1 ILE 52 2HG1 ILE 52 -10.909 -17.665 5.477 440 1HG2 ILE 52 2HG2 ILE 52 -10.703 -18.074 9.704 441 2HG2 ILE 52 3HG2 ILE 52 -11.539 -19.374 8.824 442 3HG2 ILE 52 1HG2 ILE 52 -9.791 -19.107 8.612 443 1HD1 ILE 52 1HD1 ILE 52 -9.146 -19.230 6.244 444 2HD1 ILE 52 2HD1 ILE 52 -10.427 -20.377 6.731 445 3HD1 ILE 52 3HD1 ILE 52 -10.241 -19.916 5.035 446 H GLN 53 H GLN 53 -10.848 -15.033 8.569 447 HA GLN 53 HA GLN 53 -10.899 -15.147 11.302 448 1HB GLN 53 1HB GLN 53 -10.335 -12.641 11.245 449 2HB GLN 53 2HB GLN 53 -9.267 -13.741 10.360 450 1HG GLN 53 1HG GLN 53 -10.235 -13.152 8.275 451 2HG GLN 53 2HG GLN 53 -11.554 -12.232 9.025 452 1HE2 GLN 53 2HE2 GLN 53 -7.928 -10.485 8.391 453 2HE2 GLN 53 1HE2 GLN 53 -8.085 -12.205 8.180 454 H ARG 54 H ARG 54 -13.368 -13.450 9.299 455 HA ARG 54 HA ARG 54 -14.956 -12.960 11.774 456 1HB ARG 54 1HB ARG 54 -14.699 -11.101 9.371 457 2HB ARG 54 2HB ARG 54 -15.731 -10.922 10.796 458 1HG ARG 54 1HG ARG 54 -13.607 -10.933 12.214 459 2HG ARG 54 2HG ARG 54 -12.687 -10.761 10.713 460 1HD ARG 54 1HD ARG 54 -14.849 -8.878 11.743 461 2HD ARG 54 2HD ARG 54 -13.110 -8.576 11.861 462 HE ARG 54 HE ARG 54 -13.448 -8.872 9.153 463 1HH1 ARG 54 2HH2 ARG 54 -14.792 -6.564 11.578 464 2HH1 ARG 54 1HH2 ARG 54 -15.600 -5.665 10.304 465 1HH2 ARG 54 2HH1 ARG 54 -14.238 -7.474 7.666 466 2HH2 ARG 54 1HH1 ARG 54 -15.260 -6.079 8.130 467 H GLY 55 H GLY 55 -14.855 -15.290 10.068 468 1HA GLY 55 1HA GLY 55 -16.097 -16.623 8.751 469 2HA GLY 55 2HA GLY 55 -17.529 -15.721 9.286 470 H VAL 56 H VAL 56 -17.992 -13.774 8.128 471 HA VAL 56 HA VAL 56 -19.022 -13.093 6.237 472 HB VAL 56 HB VAL 56 -16.086 -12.851 5.625 473 1HG1 VAL 56 2HG1 VAL 56 -18.302 -12.052 3.699 474 2HG1 VAL 56 3HG1 VAL 56 -16.637 -11.448 3.657 475 3HG1 VAL 56 1HG1 VAL 56 -16.932 -13.156 3.390 476 1HG2 VAL 56 1HG2 VAL 56 -17.212 -11.359 7.247 477 2HG2 VAL 56 2HG2 VAL 56 -16.676 -10.459 5.815 478 3HG2 VAL 56 3HG2 VAL 56 -18.388 -10.885 5.999 479 H SER 57 H SER 57 -20.118 -13.658 4.471 480 HA SER 57 HA SER 57 -20.094 -16.362 3.562 481 1HB SER 57 1HB SER 57 -21.607 -13.945 3.168 482 2HB SER 57 2HB SER 57 -21.270 -14.668 1.588 483 HG SER 57 HG SER 57 -23.169 -15.562 2.516 484 HA PRO 58 HA PRO 58 -16.411 -15.759 1.071 485 1HB PRO 58 1HB PRO 58 -16.622 -17.812 -0.794 486 2HB PRO 58 2HB PRO 58 -16.090 -18.009 0.896 487 1HG PRO 58 1HG PRO 58 -18.866 -18.448 -0.226 488 2HG PRO 58 2HG PRO 58 -17.946 -19.510 0.878 489 1HD PRO 58 1HD PRO 58 -19.833 -17.818 1.824 490 2HD PRO 58 2HD PRO 58 -18.297 -18.025 2.723 491 H SER 59 H SER 59 -19.508 -16.161 -0.649 492 HA SER 59 HA SER 59 -18.853 -14.904 -3.102 493 1HB SER 59 1HB SER 59 -21.416 -14.313 -2.864 494 2HB SER 59 2HB SER 59 -20.892 -15.995 -3.039 495 HG SER 59 HG SER 59 -22.311 -15.871 -1.290 496 H GLN 60 H GLN 60 -19.299 -13.603 0.115 497 HA GLN 60 HA GLN 60 -19.257 -10.820 -0.904 498 1HB GLN 60 1HB GLN 60 -21.219 -11.798 0.561 499 2HB GLN 60 2HB GLN 60 -20.063 -11.711 1.893 500 1HG GLN 60 1HG GLN 60 -19.869 -9.236 1.480 501 2HG GLN 60 2HG GLN 60 -21.024 -9.386 0.154 502 1HE2 GLN 60 2HE2 GLN 60 -23.864 -9.811 2.309 503 2HE2 GLN 60 1HE2 GLN 60 -23.261 -10.071 0.685 504 H ALA 61 H ALA 61 -17.019 -12.761 -0.561 505 HA ALA 61 HA ALA 61 -15.352 -11.733 1.561 506 1HB ALA 61 3HB ALA 61 -14.899 -13.928 0.564 507 2HB ALA 61 1HB ALA 61 -14.493 -13.145 -0.986 508 3HB ALA 61 2HB ALA 61 -13.509 -12.849 0.462 509 H GLN 62 H GLN 62 -16.313 -10.549 -1.535 510 HA GLN 62 HA GLN 62 -14.173 -8.564 -1.742 511 1HB GLN 62 1HB GLN 62 -16.143 -9.695 -3.462 512 2HB GLN 62 2HB GLN 62 -16.540 -7.998 -3.374 513 1HG GLN 62 1HG GLN 62 -13.780 -9.176 -4.014 514 2HG GLN 62 2HG GLN 62 -14.967 -8.693 -5.225 515 1HE2 GLN 62 2HE2 GLN 62 -14.397 -5.125 -3.718 516 2HE2 GLN 62 1HE2 GLN 62 -15.589 -6.278 -3.220 517 H GLY 63 H GLY 63 -16.641 -8.813 0.520 518 1HA GLY 63 1HA GLY 63 -17.487 -5.967 0.394 519 2HA GLY 63 2HA GLY 63 -18.024 -7.222 1.507 520 H LEU 64 H LEU 64 -16.935 -7.496 3.380 521 HA LEU 64 HA LEU 64 -15.715 -7.149 5.211 522 1HB LEU 64 1HB LEU 64 -13.620 -6.733 3.113 523 2HB LEU 64 2HB LEU 64 -13.283 -6.663 4.848 524 HG LEU 64 HG LEU 64 -14.027 -8.981 5.137 525 1HD1 LEU 64 3HD1 LEU 64 -14.735 -8.817 2.220 526 2HD1 LEU 64 1HD1 LEU 64 -14.429 -10.356 3.065 527 3HD1 LEU 64 2HD1 LEU 64 -15.762 -9.317 3.581 528 1HD2 LEU 64 2HD2 LEU 64 -12.089 -8.513 2.825 529 2HD2 LEU 64 3HD2 LEU 64 -11.686 -8.565 4.542 530 3HD2 LEU 64 1HD2 LEU 64 -12.241 -10.029 3.711 531 H GLY 65 H GLY 65 -14.819 -4.480 2.994 532 1HA GLY 65 1HA GLY 65 -14.697 -2.229 3.329 533 2HA GLY 65 2HA GLY 65 -15.616 -2.396 4.837 534 H SER 66 H SER 66 -14.261 -3.736 6.515 535 HA SER 66 HA SER 66 -12.621 -2.171 7.900 536 1HB SER 66 1HB SER 66 -13.478 -4.257 8.748 537 2HB SER 66 2HB SER 66 -12.571 -5.199 7.559 538 HG SER 66 HG SER 66 -11.108 -5.330 9.012 539 H ASN 67 H ASN 67 -11.267 -4.781 5.796 540 HA ASN 67 HA ASN 67 -8.914 -3.109 5.138 541 1HB ASN 67 1HB ASN 67 -9.186 -5.094 7.333 542 2HB ASN 67 2HB ASN 67 -7.840 -5.461 6.300 543 1HD2 ASN 67 2HD2 ASN 67 -7.323 -2.725 9.131 544 2HD2 ASN 67 1HD2 ASN 67 -8.270 -4.206 9.155 545 H LEU 68 H LEU 68 -11.040 -4.304 3.609 546 HA LEU 68 HA LEU 68 -10.614 -6.777 2.554 547 1HB LEU 68 1HB LEU 68 -12.430 -5.446 1.825 548 2HB LEU 68 2HB LEU 68 -11.372 -4.215 1.114 549 HG LEU 68 HG LEU 68 -10.603 -6.022 -0.534 550 1HD1 LEU 68 1HD1 LEU 68 -12.984 -7.525 0.584 551 2HD1 LEU 68 2HD1 LEU 68 -12.072 -7.941 -0.885 552 3HD1 LEU 68 3HD1 LEU 68 -11.281 -8.037 0.685 553 1HD2 LEU 68 2HD2 LEU 68 -12.154 -4.255 -1.134 554 2HD2 LEU 68 3HD2 LEU 68 -12.507 -5.784 -1.965 555 3HD2 LEU 68 1HD2 LEU 68 -13.502 -5.277 -0.576 556 H VAL 69 H VAL 69 -8.937 -7.745 1.708 557 HA VAL 69 HA VAL 69 -6.728 -6.313 0.438 558 HB VAL 69 HB VAL 69 -7.376 -9.273 0.293 559 1HG1 VAL 69 2HG1 VAL 69 -4.909 -7.631 -0.465 560 2HG1 VAL 69 3HG1 VAL 69 -5.022 -9.410 -0.509 561 3HG1 VAL 69 1HG1 VAL 69 -5.982 -8.442 -1.612 562 1HG2 VAL 69 3HG2 VAL 69 -5.566 -7.564 2.077 563 2HG2 VAL 69 1HG2 VAL 69 -6.902 -8.601 2.593 564 3HG2 VAL 69 2HG2 VAL 69 -5.423 -9.325 1.968 565 H THR 70 H THR 70 -6.666 -5.557 -1.525 566 HA THR 70 HA THR 70 -8.505 -6.472 -3.668 567 HB THR 70 HB THR 70 -8.655 -4.064 -4.353 568 HG1 THR 70 1HG THR 70 -7.385 -3.626 -1.859 569 1HG2 THR 70 2HG2 THR 70 -10.369 -5.018 -2.782 570 2HG2 THR 70 3HG2 THR 70 -9.397 -4.439 -1.414 571 3HG2 THR 70 1HG2 THR 70 -10.090 -3.276 -2.528 572 H GLU 71 H GLU 71 -7.608 -5.806 -5.843 573 HA GLU 71 HA GLU 71 -4.981 -6.654 -6.278 574 1HB GLU 71 1HB GLU 71 -6.731 -6.509 -7.971 575 2HB GLU 71 2HB GLU 71 -6.665 -4.739 -7.969 576 1HG GLU 71 1HG GLU 71 -4.126 -6.322 -8.442 577 2HG GLU 71 2HG GLU 71 -5.329 -6.237 -9.715 578 H VAL 72 H VAL 72 -6.099 -3.251 -6.167 579 HA VAL 72 HA VAL 72 -3.567 -2.109 -6.325 580 HB VAL 72 HB VAL 72 -5.714 -0.918 -6.581 581 1HG1 VAL 72 1HG1 VAL 72 -5.940 -1.105 -3.543 582 2HG1 VAL 72 2HG1 VAL 72 -6.931 -0.070 -4.580 583 3HG1 VAL 72 3HG1 VAL 72 -7.023 -1.827 -4.744 584 1HG2 VAL 72 3HG2 VAL 72 -3.595 0.344 -6.149 585 2HG2 VAL 72 1HG2 VAL 72 -5.076 1.196 -5.679 586 3HG2 VAL 72 2HG2 VAL 72 -4.067 0.449 -4.436 587 H ARG 73 H ARG 73 -4.907 -3.831 -3.614 588 HA ARG 73 HA ARG 73 -3.225 -2.656 -1.559 589 1HB ARG 73 1HB ARG 73 -5.488 -4.160 -1.570 590 2HB ARG 73 2HB ARG 73 -4.313 -5.451 -1.291 591 1HG ARG 73 1HG ARG 73 -4.958 -4.776 0.848 592 2HG ARG 73 2HG ARG 73 -3.435 -3.896 0.580 593 1HD ARG 73 1HD ARG 73 -4.993 -2.252 1.416 594 2HD ARG 73 2HD ARG 73 -4.844 -1.977 -0.279 595 HE ARG 73 HE ARG 73 -7.086 -3.617 0.900 596 1HH1 ARG 73 2HH2 ARG 73 -6.144 -0.622 -0.824 597 2HH1 ARG 73 1HH2 ARG 73 -7.808 -0.142 -1.046 598 1HH2 ARG 73 2HH1 ARG 73 -9.125 -3.054 0.490 599 2HH2 ARG 73 1HH1 ARG 73 -9.596 -1.617 -0.399 600 H VAL 74 H VAL 74 -3.289 -5.679 -3.428 601 HA VAL 74 HA VAL 74 -0.845 -6.828 -2.525 602 HB VAL 74 HB VAL 74 -2.392 -7.021 -5.166 603 1HG1 VAL 74 3HG1 VAL 74 0.069 -8.468 -4.192 604 2HG1 VAL 74 1HG1 VAL 74 -1.047 -9.185 -5.383 605 3HG1 VAL 74 2HG1 VAL 74 -0.209 -7.669 -5.749 606 1HG2 VAL 74 1HG2 VAL 74 -3.600 -7.818 -3.142 607 2HG2 VAL 74 2HG2 VAL 74 -3.168 -9.140 -4.230 608 3HG2 VAL 74 3HG2 VAL 74 -2.222 -8.860 -2.758 609 H TYR 75 H TYR 75 -1.678 -4.681 -5.316 610 HA TYR 75 HA TYR 75 0.880 -4.275 -6.371 611 1HB TYR 75 1HB TYR 75 -1.435 -3.447 -7.223 612 2HB TYR 75 2HB TYR 75 -1.220 -2.090 -6.145 613 HD1 TYR 75 1HD TYR 75 0.789 -0.582 -6.379 614 HD2 TYR 75 2HD TYR 75 -0.260 -3.510 -9.357 615 HE1 TYR 75 1HE TYR 75 2.128 0.649 -8.060 616 HE2 TYR 75 2HE TYR 75 1.081 -2.271 -11.040 617 HH TYR 75 HH TYR 75 2.014 0.967 -10.507 618 H ASN 76 H ASN 76 -0.847 -2.370 -3.873 619 HA ASN 76 HA ASN 76 1.098 -0.443 -3.406 620 1HB ASN 76 1HB ASN 76 -1.227 -1.480 -1.840 621 2HB ASN 76 2HB ASN 76 0.053 -0.798 -0.862 622 1HD2 ASN 76 2HD2 ASN 76 -2.176 1.746 -3.108 623 2HD2 ASN 76 1HD2 ASN 76 -2.305 -0.012 -3.339 624 H TRP 77 H TRP 77 0.727 -3.568 -1.608 625 HA TRP 77 HA TRP 77 3.097 -2.880 -0.085 626 1HB TRP 77 1HB TRP 77 2.724 -4.542 1.250 627 2HB TRP 77 2HB TRP 77 1.123 -4.532 0.542 628 HD1 TRP 77 HD TRP 77 1.210 -6.380 -1.756 629 HE1 TRP 77 1HE TRP 77 2.363 -8.633 -2.011 630 HE3 TRP 77 3HE TRP 77 3.968 -6.300 2.535 631 HZ2 TRP 77 2HZ TRP 77 4.108 -10.273 -0.439 632 HZ3 TRP 77 3HZ TRP 77 5.212 -8.333 3.221 633 HH2 TRP 77 HH TRP 77 5.405 -10.268 1.654 634 H PHE 78 H PHE 78 2.571 -5.119 -2.965 635 HA PHE 78 HA PHE 78 5.293 -5.951 -2.879 636 1HB PHE 78 1HB PHE 78 3.317 -5.784 -5.180 637 2HB PHE 78 2HB PHE 78 4.969 -6.333 -5.407 638 HD1 PHE 78 2HD PHE 78 5.345 -8.054 -2.859 639 HD2 PHE 78 1HD PHE 78 2.270 -7.842 -5.895 640 HE1 PHE 78 2HE PHE 78 4.867 -10.429 -2.581 641 HE2 PHE 78 1HE PHE 78 2.039 -10.317 -5.776 642 HZ PHE 78 HZ PHE 78 3.391 -11.630 -4.117 643 H ALA 79 H ALA 79 3.864 -3.017 -4.225 644 HA ALA 79 HA ALA 79 6.245 -2.060 -5.469 645 1HB ALA 79 3HB ALA 79 3.912 -0.545 -4.224 646 2HB ALA 79 1HB ALA 79 5.190 0.164 -5.221 647 3HB ALA 79 2HB ALA 79 4.088 -1.039 -5.920 648 H ASN 80 H ASN 80 4.976 -1.571 -2.125 649 HA ASN 80 HA ASN 80 7.342 0.092 -1.524 650 1HB ASN 80 1HB ASN 80 5.240 0.980 -0.720 651 2HB ASN 80 2HB ASN 80 4.754 -0.580 -0.049 652 1HD2 ASN 80 2HD2 ASN 80 6.528 -0.319 3.003 653 2HD2 ASN 80 1HD2 ASN 80 5.553 -1.301 1.975 654 H ARG 81 H ARG 81 5.997 -2.940 -0.290 655 HA ARG 81 HA ARG 81 7.647 -3.653 1.740 656 1HB ARG 81 1HB ARG 81 5.837 -5.081 0.781 657 2HB ARG 81 2HB ARG 81 6.885 -5.460 -0.595 658 1HG ARG 81 1HG ARG 81 6.907 -7.275 1.000 659 2HG ARG 81 2HG ARG 81 8.516 -6.552 0.946 660 1HD ARG 81 1HD ARG 81 8.176 -5.393 3.029 661 2HD ARG 81 2HD ARG 81 6.432 -5.725 3.008 662 HE ARG 81 HE ARG 81 7.878 -8.211 3.132 663 1HH1 ARG 81 2HH2 ARG 81 7.180 -5.308 5.064 664 2HH1 ARG 81 1HH2 ARG 81 7.069 -6.166 6.567 665 1HH2 ARG 81 2HH1 ARG 81 7.873 -9.314 5.031 666 2HH2 ARG 81 1HH1 ARG 81 7.599 -8.531 6.588 667 H ARG 82 H ARG 82 8.337 -3.749 -1.731 668 HA ARG 82 HA ARG 82 10.820 -4.817 -1.898 669 1HB ARG 82 1HB ARG 82 9.261 -3.896 -3.683 670 2HB ARG 82 2HB ARG 82 9.826 -2.277 -3.260 671 1HG ARG 82 1HG ARG 82 10.878 -3.052 -5.246 672 2HG ARG 82 2HG ARG 82 12.055 -2.805 -3.956 673 1HD ARG 82 1HD ARG 82 12.528 -4.925 -5.230 674 2HD ARG 82 2HD ARG 82 12.170 -5.278 -3.547 675 HE ARG 82 HE ARG 82 9.909 -5.330 -5.496 676 1HH1 ARG 82 2HH2 ARG 82 11.927 -7.341 -3.343 677 2HH1 ARG 82 1HH2 ARG 82 11.198 -8.795 -3.874 678 1HH2 ARG 82 2HH1 ARG 82 8.946 -7.088 -6.067 679 2HH2 ARG 82 1HH1 ARG 82 9.472 -8.716 -5.676 680 H LYS 83 H LYS 83 10.155 -1.452 -0.838 681 HA LYS 83 HA LYS 83 13.027 -0.889 -0.425 682 1HB LYS 83 1HB LYS 83 10.544 0.746 -0.611 683 2HB LYS 83 2HB LYS 83 11.598 1.203 0.723 684 1HG LYS 83 1HG LYS 83 12.177 2.478 -1.283 685 2HG LYS 83 2HG LYS 83 13.513 1.442 -0.763 686 1HD LYS 83 1HD LYS 83 12.674 -0.288 -2.489 687 2HD LYS 83 2HD LYS 83 11.548 0.937 -3.046 688 1HE LYS 83 1HE LYS 83 13.395 2.361 -3.772 689 2HE LYS 83 2HE LYS 83 14.581 1.353 -2.913 690 1HZ LYS 83 2HZ LYS 83 14.059 -0.456 -4.391 691 2HZ LYS 83 3HZ LYS 83 12.960 0.482 -5.201 692 3HZ LYS 83 1HZ LYS 83 14.560 0.855 -5.266 693 H GLU 84 H GLU 84 10.181 -1.498 1.480 694 HA GLU 84 HA GLU 84 11.190 -1.292 4.098 695 1HB GLU 84 1HB GLU 84 8.909 -2.196 2.800 696 2HB GLU 84 2HB GLU 84 9.558 -3.702 3.451 697 1HG GLU 84 1HG GLU 84 9.289 -2.903 5.676 698 2HG GLU 84 2HG GLU 84 9.051 -1.234 5.146 699 H GLU 85 H GLU 85 11.520 -3.777 1.679 700 HA GLU 85 HA GLU 85 12.911 -5.806 3.162 701 1HB GLU 85 1HB GLU 85 11.452 -6.361 1.330 702 2HB GLU 85 2HB GLU 85 12.247 -5.233 0.242 703 1HG GLU 85 1HG GLU 85 14.231 -6.659 0.114 704 2HG GLU 85 2HG GLU 85 13.450 -7.832 1.195 705 H ALA 86 H ALA 86 13.842 -3.681 0.419 706 HA ALA 86 HA ALA 86 16.522 -4.304 0.321 707 1HB ALA 86 2HB ALA 86 15.389 -3.034 -1.384 708 2HB ALA 86 3HB ALA 86 15.255 -1.619 -0.302 709 3HB ALA 86 1HB ALA 86 16.850 -2.180 -0.853 710 H PHE 87 H PHE 87 14.952 -1.978 2.448 711 HA PHE 87 HA PHE 87 17.223 -0.664 3.477 712 1HB PHE 87 1HB PHE 87 15.213 0.216 4.000 713 2HB PHE 87 2HB PHE 87 14.468 -1.312 4.493 714 HD1 PHE 87 2HD PHE 87 15.287 -2.362 6.763 715 HD2 PHE 87 1HD PHE 87 15.488 1.815 5.666 716 HE1 PHE 87 2HE PHE 87 15.467 -1.728 9.144 717 HE2 PHE 87 1HE PHE 87 15.307 2.420 8.044 718 HZ PHE 87 HZ PHE 87 15.413 0.665 9.794 719 H ARG 88 H ARG 88 15.862 -3.791 4.635 720 HA ARG 88 HA ARG 88 18.172 -4.087 6.443 721 1HB ARG 88 1HB ARG 88 15.702 -4.637 7.032 722 2HB ARG 88 2HB ARG 88 15.847 -5.976 5.913 723 1HG ARG 88 1HG ARG 88 16.105 -6.851 8.053 724 2HG ARG 88 2HG ARG 88 17.729 -6.884 7.379 725 1HD ARG 88 1HD ARG 88 16.760 -4.565 9.112 726 2HD ARG 88 2HD ARG 88 17.327 -6.090 9.817 727 HE ARG 88 HE ARG 88 19.313 -5.318 8.023 728 1HH1 ARG 88 2HH2 ARG 88 17.836 -4.090 11.053 729 2HH1 ARG 88 1HH2 ARG 88 19.402 -3.624 11.713 730 1HH2 ARG 88 2HH1 ARG 88 21.346 -4.703 9.097 731 2HH2 ARG 88 1HH1 ARG 88 21.288 -3.497 10.331 732 H HIS 89 H HIS 89 17.052 -5.159 3.301 733 HA HIS 89 HA HIS 89 18.692 -7.522 3.235 734 1HB HIS 89 1HB HIS 89 16.495 -7.007 1.937 735 2HB HIS 89 2HB HIS 89 17.544 -6.165 0.796 736 HD1 HIS 89 1HD HIS 89 19.882 -8.597 1.117 737 HD2 HIS 89 2HD HIS 89 15.792 -8.812 0.115 738 HE1 HIS 89 1HE HIS 89 19.562 -10.749 -0.208 739 H LYS 90 H LYS 90 19.211 -4.140 2.293 740 HA LYS 90 HA LYS 90 21.137 -4.536 0.274 741 1HB LYS 90 1HB LYS 90 21.785 -2.201 0.699 742 2HB LYS 90 2HB LYS 90 20.054 -2.434 0.629 743 1HG LYS 90 1HG LYS 90 20.084 -2.483 3.207 744 2HG LYS 90 2HG LYS 90 21.726 -1.855 3.128 745 1HD LYS 90 1HD LYS 90 19.376 -0.541 1.727 746 2HD LYS 90 2HD LYS 90 19.770 -0.186 3.402 747 1HE LYS 90 1HE LYS 90 22.029 0.021 1.399 748 2HE LYS 90 2HE LYS 90 20.755 1.238 1.307 749 1HZ LYS 90 3HZ LYS 90 22.320 0.718 3.774 750 2HZ LYS 90 1HZ LYS 90 22.538 1.946 2.751 751 3HZ LYS 90 2HZ LYS 90 21.121 1.853 3.529 752 H LEU 91 H LEU 91 21.723 -3.839 3.730 753 HA LEU 91 HA LEU 91 24.391 -4.675 3.602 754 1HB LEU 91 1HB LEU 91 24.192 -4.410 6.151 755 2HB LEU 91 2HB LEU 91 23.540 -3.032 5.271 756 HG LEU 91 HG LEU 91 21.258 -4.525 5.436 757 1HD1 LEU 91 3HD1 LEU 91 22.476 -6.402 6.638 758 2HD1 LEU 91 1HD1 LEU 91 22.771 -5.270 7.949 759 3HD1 LEU 91 2HD1 LEU 91 21.103 -5.717 7.453 760 1HD2 LEU 91 3HD2 LEU 91 21.572 -2.211 6.181 761 2HD2 LEU 91 1HD2 LEU 91 20.605 -3.163 7.299 762 3HD2 LEU 91 2HD2 LEU 91 22.309 -2.801 7.688 763 H ALA 92 H ALA 92 25.181 -6.580 4.868 764 HA ALA 92 HA ALA 92 25.388 -8.815 4.629 765 1HB ALA 92 2HB ALA 92 23.713 -8.855 6.475 766 2HB ALA 92 3HB ALA 92 22.401 -8.947 5.297 767 3HB ALA 92 1HB ALA 92 23.566 -10.269 5.416 768 H MET 93 H MET 93 24.411 -7.031 2.331 769 HA MET 93 HA MET 93 24.896 -9.078 0.461 770 1HB MET 93 1HB MET 93 22.318 -8.954 0.498 771 2HB MET 93 2HB MET 93 22.478 -7.252 0.028 772 1HG MET 93 1HG MET 93 23.507 -7.937 -2.107 773 2HG MET 93 2HG MET 93 23.453 -9.626 -1.594 774 1HE MET 93 1HE MET 93 21.371 -6.467 -2.576 775 2HE MET 93 2HE MET 93 19.708 -7.107 -2.612 776 3HE MET 93 3HE MET 93 20.544 -6.908 -1.060 777 H ASP 94 H ASP 94 26.499 -7.669 1.501 778 HA ASP 94 HA ASP 94 27.591 -5.878 1.939 779 1HB ASP 94 1HB ASP 94 28.970 -6.942 0.400 780 2HB ASP 94 2HB ASP 94 28.249 -5.965 -0.936 781 H THR 95 H THR 95 26.096 -4.619 2.600 782 HA THR 95 HA THR 95 26.808 -2.058 1.565 783 HB THR 95 HB THR 95 23.891 -1.927 2.158 784 HG1 THR 95 1HG THR 95 24.880 -3.225 -0.123 785 1HG2 THR 95 3HG2 THR 95 25.715 -0.676 0.053 786 2HG2 THR 95 1HG2 THR 95 23.997 -0.309 0.214 787 3HG2 THR 95 2HG2 THR 95 25.114 0.132 1.519 788 H TYR 96 H TYR 96 26.008 -0.327 3.180 789 HA TYR 96 HA TYR 96 25.454 -1.294 5.895 790 1HB TYR 96 1HB TYR 96 27.932 -1.323 5.655 791 2HB TYR 96 2HB TYR 96 27.904 0.354 5.127 792 HD1 TYR 96 2HD TYR 96 25.842 -0.894 8.040 793 HD2 TYR 96 1HD TYR 96 29.552 0.944 6.794 794 HE1 TYR 96 2HE TYR 96 26.269 -0.174 10.344 795 HE2 TYR 96 1HE TYR 96 29.960 1.658 9.133 796 HH TYR 96 HH TYR 96 27.806 0.829 11.799 797 H LYS 97 H LYS 97 26.363 1.711 6.372 798 HA LYS 97 HA LYS 97 25.330 3.709 6.519 799 1HB LYS 97 1HB LYS 97 24.958 3.153 3.564 800 2HB LYS 97 2HB LYS 97 25.089 4.699 4.431 801 1HG LYS 97 1HG LYS 97 27.428 4.065 5.112 802 2HG LYS 97 2HG LYS 97 27.287 2.624 4.117 803 1HD LYS 97 1HD LYS 97 27.838 3.727 2.268 804 2HD LYS 97 2HD LYS 97 26.471 4.819 2.442 805 1HE LYS 97 1HE LYS 97 29.249 5.197 3.670 806 2HE LYS 97 2HE LYS 97 28.596 6.029 2.254 807 1HZ LYS 97 2HZ LYS 97 26.841 6.929 3.763 808 2HZ LYS 97 3HZ LYS 97 27.630 6.306 5.032 809 3HZ LYS 97 1HZ LYS 97 28.360 7.446 4.117 810 H LEU 98 H LEU 98 23.664 2.340 7.721 811 HA LEU 98 HA LEU 98 21.229 3.022 8.045 812 1HB LEU 98 1HB LEU 98 20.574 2.967 5.686 813 2HB LEU 98 2HB LEU 98 20.980 1.235 5.592 814 HG LEU 98 HG LEU 98 18.571 1.719 5.625 815 1HD1 LEU 98 1HD1 LEU 98 19.504 -0.387 6.718 816 2HD1 LEU 98 2HD1 LEU 98 19.150 0.424 8.265 817 3HD1 LEU 98 3HD1 LEU 98 17.865 0.100 7.133 818 1HD2 LEU 98 3HD2 LEU 98 18.848 3.839 7.017 819 2HD2 LEU 98 1HD2 LEU 98 17.494 2.806 7.472 820 3HD2 LEU 98 2HD2 LEU 98 18.959 2.799 8.448 821 H ASN 99 H ASN 99 21.429 2.005 9.957 822 HA ASN 99 HA ASN 99 21.745 0.415 11.533 823 1HB ASN 99 2HB ASN 99 19.650 -0.951 9.825 824 2HB ASN 99 3HB ASN 99 20.093 -1.416 11.458 825 1HD2 ASN 99 2HD2 ASN 99 18.726 1.335 13.164 826 2HD2 ASN 99 1HD2 ASN 99 19.532 -0.223 13.274 No H/Q in entry = 826 Start of MODEL 6 1 1H MET 0 1H MET 0 3.825 24.119 7.420 2 2H MET 0 2H MET 0 4.003 23.994 9.078 3 3H MET 0 3H MET 0 4.986 24.976 8.188 4 HA MET 0 HA MET 0 6.250 23.144 8.743 5 1HB MET 0 2HB MET 0 5.573 20.852 8.114 6 2HB MET 0 3HB MET 0 4.636 21.543 9.409 7 1HG MET 0 2HG MET 0 3.636 21.557 6.532 8 2HG MET 0 3HG MET 0 3.341 20.247 7.666 9 1HE MET 0 1HE MET 0 1.114 21.901 6.028 10 2HE MET 0 2HE MET 0 0.743 20.502 7.057 11 3HE MET 0 3HE MET 0 -0.147 22.026 7.278 12 H ALA 1 H ALA 1 6.618 24.969 6.884 13 HA ALA 1 HA ALA 1 7.127 25.523 4.742 14 1HB ALA 1 3HB ALA 1 8.911 23.115 5.246 15 2HB ALA 1 1HB ALA 1 9.118 24.289 3.926 16 3HB ALA 1 2HB ALA 1 9.249 24.822 5.605 17 H ARG 2 H ARG 2 7.928 22.357 3.579 18 HA ARG 2 HA ARG 2 5.237 21.788 2.593 19 1HB ARG 2 1HB ARG 2 6.126 21.485 0.223 20 2HB ARG 2 2HB ARG 2 5.842 23.136 0.734 21 1HG ARG 2 1HG ARG 2 8.638 22.124 1.185 22 2HG ARG 2 2HG ARG 2 8.122 22.284 -0.489 23 1HD ARG 2 1HD ARG 2 7.492 24.650 -0.149 24 2HD ARG 2 2HD ARG 2 7.901 24.546 1.552 25 HE ARG 2 HE ARG 2 10.122 24.765 1.119 26 1HH1 ARG 2 2HH2 ARG 2 8.431 24.049 -1.950 27 2HH1 ARG 2 1HH2 ARG 2 9.768 24.477 -2.947 28 1HH2 ARG 2 2HH1 ARG 2 11.931 25.374 -0.239 29 2HH2 ARG 2 1HH1 ARG 2 11.754 25.220 -1.967 30 H ILE 3 H ILE 3 6.300 20.507 4.548 31 HA ILE 3 HA ILE 3 8.021 18.320 3.803 32 HB ILE 3 HB ILE 3 7.275 17.241 5.860 33 1HG1 ILE 3 1HG1 ILE 3 5.365 19.576 6.257 34 2HG1 ILE 3 2HG1 ILE 3 4.861 17.966 5.759 35 1HG2 ILE 3 1HG2 ILE 3 9.057 18.961 5.867 36 2HG2 ILE 3 2HG2 ILE 3 7.864 20.204 6.268 37 3HG2 ILE 3 3HG2 ILE 3 8.206 18.891 7.408 38 1HD1 ILE 3 1HD1 ILE 3 6.250 18.540 8.400 39 2HD1 ILE 3 2HD1 ILE 3 4.528 18.236 8.149 40 3HD1 ILE 3 3HD1 ILE 3 5.698 16.962 7.792 41 H ASP 4 H ASP 4 7.469 16.093 3.463 42 HA ASP 4 HA ASP 4 5.358 15.779 1.583 43 1HB ASP 4 1HB ASP 4 7.499 14.574 1.546 44 2HB ASP 4 2HB ASP 4 7.043 13.690 3.011 45 HA PRO 5 HA PRO 5 2.199 14.549 4.726 46 1HB PRO 5 1HB PRO 5 0.116 13.939 3.097 47 2HB PRO 5 2HB PRO 5 0.649 15.598 3.463 48 1HG PRO 5 1HG PRO 5 1.481 13.924 1.073 49 2HG PRO 5 2HG PRO 5 0.728 15.547 1.074 50 1HD PRO 5 1HD PRO 5 3.398 15.331 0.918 51 2HD PRO 5 2HD PRO 5 2.726 16.533 2.030 52 H THR 6 H THR 6 4.219 12.728 4.544 53 HA THR 6 HA THR 6 2.937 10.091 4.200 54 HB THR 6 HB THR 6 5.537 10.919 2.854 55 HG1 THR 6 1HG THR 6 4.116 11.785 1.525 56 1HG2 THR 6 3HG2 THR 6 3.925 8.357 2.505 57 2HG2 THR 6 1HG2 THR 6 5.285 8.882 1.506 58 3HG2 THR 6 2HG2 THR 6 5.543 8.480 3.198 59 H LYS 7 H LYS 7 3.774 11.729 6.598 60 HA LYS 7 HA LYS 7 6.321 10.934 7.482 61 1HB LYS 7 1HB LYS 7 3.946 12.201 8.689 62 2HB LYS 7 2HB LYS 7 4.647 11.049 9.792 63 1HG LYS 7 1HG LYS 7 5.636 13.083 10.300 64 2HG LYS 7 2HG LYS 7 6.873 12.083 9.530 65 1HD LYS 7 1HD LYS 7 6.542 13.315 7.386 66 2HD LYS 7 2HD LYS 7 5.290 14.305 8.143 67 1HE LYS 7 1HE LYS 7 8.235 14.246 8.966 68 2HE LYS 7 2HE LYS 7 7.451 15.485 7.994 69 1HZ LYS 7 3HZ LYS 7 5.934 15.836 9.984 70 2HZ LYS 7 1HZ LYS 7 6.993 14.922 10.847 71 3HZ LYS 7 2HZ LYS 7 7.492 16.306 10.191 72 H LYS 8 H LYS 8 3.239 9.226 7.808 73 HA LYS 8 HA LYS 8 4.581 6.979 9.270 74 1HB LYS 8 1HB LYS 8 2.348 6.416 10.057 75 2HB LYS 8 2HB LYS 8 2.910 8.020 10.521 76 1HG LYS 8 1HG LYS 8 1.416 8.917 8.541 77 2HG LYS 8 2HG LYS 8 0.743 7.286 8.524 78 1HD LYS 8 1HD LYS 8 -0.702 8.495 9.929 79 2HD LYS 8 2HD LYS 8 0.331 7.586 11.040 80 1HE LYS 8 1HE LYS 8 1.789 9.903 10.897 81 2HE LYS 8 2HE LYS 8 0.216 10.563 10.443 82 1HZ LYS 8 1HZ LYS 8 -0.631 9.619 12.534 83 2HZ LYS 8 2HZ LYS 8 0.908 9.104 12.899 84 3HZ LYS 8 3HZ LYS 8 0.599 10.717 12.773 85 H GLY 9 H GLY 9 5.489 6.623 6.977 86 1HA GLY 9 1HA GLY 9 5.406 5.653 4.878 87 2HA GLY 9 2HA GLY 9 4.629 4.370 5.817 88 H ARG 10 H ARG 10 3.483 7.579 5.121 89 HA ARG 10 HA ARG 10 1.453 8.375 4.813 90 1HB ARG 10 1HB ARG 10 0.166 7.737 2.784 91 2HB ARG 10 2HB ARG 10 1.754 8.462 2.578 92 1HG ARG 10 1HG ARG 10 2.625 6.141 2.018 93 2HG ARG 10 2HG ARG 10 0.960 5.537 2.150 94 1HD ARG 10 1HD ARG 10 1.292 5.922 -0.130 95 2HD ARG 10 2HD ARG 10 0.295 7.277 0.386 96 HE ARG 10 HE ARG 10 3.132 7.224 -0.475 97 1HH1 ARG 10 2HH2 ARG 10 0.573 9.366 0.906 98 2HH1 ARG 10 1HH2 ARG 10 1.530 10.768 0.542 99 1HH2 ARG 10 2HH1 ARG 10 4.013 9.071 -1.292 100 2HH2 ARG 10 1HH1 ARG 10 3.224 10.605 -1.061 101 H ARG 11 H ARG 11 0.793 4.941 3.992 102 HA ARG 11 HA ARG 11 -1.695 5.184 5.247 103 1HB ARG 11 1HB ARG 11 -0.619 3.616 3.271 104 2HB ARG 11 2HB ARG 11 -0.843 2.447 4.560 105 1HG ARG 11 1HG ARG 11 -3.289 3.129 4.617 106 2HG ARG 11 2HG ARG 11 -2.954 4.247 3.269 107 1HD ARG 11 1HD ARG 11 -1.875 2.198 2.091 108 2HD ARG 11 2HD ARG 11 -2.637 1.217 3.306 109 HE ARG 11 HE ARG 11 -4.779 1.611 2.357 110 1HH1 ARG 11 2HH2 ARG 11 -2.282 3.389 0.454 111 2HH1 ARG 11 1HH2 ARG 11 -3.331 3.382 -0.948 112 1HH2 ARG 11 2HH1 ARG 11 -5.853 1.398 0.447 113 2HH2 ARG 11 1HH1 ARG 11 -5.246 2.183 -1.005 114 H ASN 12 H ASN 12 -2.186 4.266 7.102 115 HA ASN 12 HA ASN 12 -0.387 2.460 8.659 116 1HB ASN 12 1HB ASN 12 0.171 4.756 9.393 117 2HB ASN 12 2HB ASN 12 -1.532 5.051 9.775 118 1HD2 ASN 12 2HD2 ASN 12 -1.350 3.351 12.914 119 2HD2 ASN 12 1HD2 ASN 12 -2.368 4.216 11.782 120 H ARG 13 H ARG 13 -3.575 3.907 8.071 121 HA ARG 13 HA ARG 13 -5.029 2.485 10.057 122 1HB ARG 13 1HB ARG 13 -6.978 2.996 8.663 123 2HB ARG 13 2HB ARG 13 -5.903 4.389 8.831 124 1HG ARG 13 1HG ARG 13 -4.961 3.624 6.487 125 2HG ARG 13 2HG ARG 13 -6.437 2.656 6.392 126 1HD ARG 13 1HD ARG 13 -6.346 5.666 6.919 127 2HD ARG 13 2HD ARG 13 -6.562 4.945 5.344 128 HE ARG 13 HE ARG 13 -8.455 4.969 7.655 129 1HH1 ARG 13 2HH2 ARG 13 -8.050 4.536 4.128 130 2HH1 ARG 13 1HH2 ARG 13 -9.593 3.795 3.933 131 1HH2 ARG 13 2HH1 ARG 13 -10.598 4.127 7.314 132 2HH2 ARG 13 1HH1 ARG 13 -11.155 4.034 5.657 133 H PHE 14 H PHE 14 -4.132 1.651 6.777 134 HA PHE 14 HA PHE 14 -5.597 -0.860 6.687 135 1HB PHE 14 1HB PHE 14 -4.946 0.493 4.683 136 2HB PHE 14 2HB PHE 14 -3.251 0.130 5.063 137 HD1 PHE 14 2HD PHE 14 -6.533 -1.533 4.170 138 HD2 PHE 14 1HD PHE 14 -2.302 -2.100 4.688 139 HE1 PHE 14 2HE PHE 14 -6.638 -3.582 2.801 140 HE2 PHE 14 1HE PHE 14 -2.477 -4.227 3.447 141 HZ PHE 14 HZ PHE 14 -4.555 -4.831 2.259 142 H LYS 15 H LYS 15 -4.676 -2.977 6.808 143 HA LYS 15 HA LYS 15 -1.959 -3.441 7.687 144 1HB LYS 15 1HB LYS 15 -2.761 -4.456 9.863 145 2HB LYS 15 2HB LYS 15 -2.772 -2.693 9.781 146 1HG LYS 15 1HG LYS 15 -5.291 -2.805 9.241 147 2HG LYS 15 2HG LYS 15 -5.217 -4.508 9.669 148 1HD LYS 15 1HD LYS 15 -4.389 -2.145 11.446 149 2HD LYS 15 2HD LYS 15 -5.949 -2.950 11.481 150 1HE LYS 15 1HE LYS 15 -4.046 -5.064 11.715 151 2HE LYS 15 2HE LYS 15 -3.412 -3.768 12.731 152 1HZ LYS 15 1HZ LYS 15 -6.151 -4.830 12.841 153 2HZ LYS 15 2HZ LYS 15 -4.973 -5.343 13.835 154 3HZ LYS 15 3HZ LYS 15 -5.471 -3.772 13.928 155 H TRP 16 H TRP 16 -1.515 -5.263 6.514 156 HA TRP 16 HA TRP 16 -3.592 -6.916 5.347 157 1HB TRP 16 1HB TRP 16 -0.598 -7.243 5.772 158 2HB TRP 16 2HB TRP 16 -1.581 -8.492 5.052 159 HD1 TRP 16 HD TRP 16 0.100 -5.235 4.209 160 HE1 TRP 16 1HE TRP 16 0.032 -4.842 1.705 161 HE3 TRP 16 3HE TRP 16 -3.102 -9.027 2.830 162 HZ2 TRP 16 2HZ TRP 16 -1.391 -5.868 -0.559 163 HZ3 TRP 16 3HZ TRP 16 -3.180 -9.640 0.431 164 HH2 TRP 16 HH TRP 16 -2.602 -7.933 -1.261 165 H GLY 17 H GLY 17 -4.490 -8.821 6.166 166 1HA GLY 17 1HA GLY 17 -4.592 -9.266 8.963 167 2HA GLY 17 2HA GLY 17 -5.156 -10.367 7.698 168 HA PRO 18 HA PRO 18 -1.312 -12.098 9.691 169 1HB PRO 18 1HB PRO 18 -2.331 -14.215 11.125 170 2HB PRO 18 2HB PRO 18 -2.295 -12.550 11.771 171 1HG PRO 18 1HG PRO 18 -4.637 -14.017 10.556 172 2HG PRO 18 2HG PRO 18 -4.606 -12.958 11.989 173 1HD PRO 18 1HD PRO 18 -5.383 -12.132 9.435 174 2HD PRO 18 2HD PRO 18 -4.744 -11.030 10.681 175 H ALA 19 H ALA 19 -4.097 -13.837 8.520 176 HA ALA 19 HA ALA 19 -2.715 -16.034 7.243 177 1HB ALA 19 3HB ALA 19 -5.467 -14.831 6.678 178 2HB ALA 19 1HB ALA 19 -4.829 -16.328 5.972 179 3HB ALA 19 2HB ALA 19 -5.097 -16.215 7.722 180 H SER 20 H SER 20 -4.284 -13.107 5.806 181 HA SER 20 HA SER 20 -3.108 -12.719 3.445 182 1HB SER 20 1HB SER 20 -3.319 -10.919 5.831 183 2HB SER 20 2HB SER 20 -2.573 -10.313 4.366 184 HG SER 20 HG SER 20 -5.185 -11.401 4.696 185 H GLN 21 H GLN 21 -1.266 -11.829 6.491 186 HA GLN 21 HA GLN 21 1.059 -11.094 5.060 187 1HB GLN 21 1HB GLN 21 0.523 -11.861 7.937 188 2HB GLN 21 2HB GLN 21 2.180 -11.588 7.373 189 1HG GLN 21 1HG GLN 21 1.733 -9.383 6.665 190 2HG GLN 21 2HG GLN 21 -0.003 -9.547 6.832 191 1HE2 GLN 21 2HE2 GLN 21 -0.046 -8.979 10.356 192 2HE2 GLN 21 1HE2 GLN 21 -0.893 -9.611 8.950 193 H GLN 22 H GLN 22 0.187 -14.268 6.486 194 HA GLN 22 HA GLN 22 2.598 -15.631 5.766 195 1HB GLN 22 1HB GLN 22 1.224 -16.894 7.119 196 2HB GLN 22 2HB GLN 22 -0.253 -16.471 6.270 197 1HG GLN 22 1HG GLN 22 0.324 -18.824 5.961 198 2HG GLN 22 2HG GLN 22 0.248 -17.959 4.431 199 1HE2 GLN 22 2HE2 GLN 22 3.300 -19.631 3.715 200 2HE2 GLN 22 1HE2 GLN 22 1.597 -19.455 3.316 201 H ILE 23 H ILE 23 -0.472 -15.298 3.928 202 HA ILE 23 HA ILE 23 0.401 -16.499 1.588 203 HB ILE 23 HB ILE 23 -1.729 -14.494 2.263 204 1HG1 ILE 23 1HG1 ILE 23 -2.251 -17.094 0.935 205 2HG1 ILE 23 2HG1 ILE 23 -1.515 -17.239 2.539 206 1HG2 ILE 23 3HG2 ILE 23 -1.191 -15.528 -0.548 207 2HG2 ILE 23 1HG2 ILE 23 -2.696 -14.757 -0.006 208 3HG2 ILE 23 2HG2 ILE 23 -1.205 -13.829 -0.013 209 1HD1 ILE 23 2HD1 ILE 23 -3.953 -15.536 2.040 210 2HD1 ILE 23 3HD1 ILE 23 -4.003 -17.271 2.488 211 3HD1 ILE 23 1HD1 ILE 23 -3.259 -16.089 3.584 212 H LEU 24 H LEU 24 0.706 -13.080 2.435 213 HA LEU 24 HA LEU 24 1.748 -12.183 -0.047 214 1HB LEU 24 1HB LEU 24 2.296 -11.297 2.851 215 2HB LEU 24 2HB LEU 24 2.900 -10.476 1.427 216 HG LEU 24 HG LEU 24 0.015 -10.669 2.273 217 1HD1 LEU 24 3HD1 LEU 24 2.131 -8.778 2.688 218 2HD1 LEU 24 1HD1 LEU 24 0.956 -8.050 1.581 219 3HD1 LEU 24 2HD1 LEU 24 0.446 -8.693 3.161 220 1HD2 LEU 24 2HD2 LEU 24 1.204 -10.018 -0.407 221 2HD2 LEU 24 3HD2 LEU 24 -0.198 -11.033 -0.003 222 3HD2 LEU 24 1HD2 LEU 24 -0.306 -9.276 0.107 223 H PHE 25 H PHE 25 3.396 -13.604 2.786 224 HA PHE 25 HA PHE 25 5.996 -13.475 1.468 225 1HB PHE 25 1HB PHE 25 4.994 -14.862 3.954 226 2HB PHE 25 2HB PHE 25 6.588 -15.148 3.280 227 HD1 PHE 25 2HD PHE 25 4.519 -11.994 3.912 228 HD2 PHE 25 1HD PHE 25 8.217 -14.117 4.596 229 HE1 PHE 25 2HE PHE 25 5.175 -10.310 5.557 230 HE2 PHE 25 1HE PHE 25 8.896 -12.384 6.209 231 HZ PHE 25 HZ PHE 25 7.331 -10.535 6.790 232 H GLN 26 H GLN 26 3.329 -15.864 1.637 233 HA GLN 26 HA GLN 26 4.875 -18.049 0.688 234 1HB GLN 26 1HB GLN 26 2.990 -19.296 0.948 235 2HB GLN 26 2HB GLN 26 2.442 -17.839 1.750 236 1HG GLN 26 1HG GLN 26 1.277 -17.195 -0.394 237 2HG GLN 26 2HG GLN 26 1.738 -18.783 -0.992 238 1HE2 GLN 26 2HE2 GLN 26 -1.690 -19.258 0.385 239 2HE2 GLN 26 1HE2 GLN 26 -0.892 -18.643 -1.031 240 H ALA 27 H ALA 27 3.456 -15.325 -1.012 241 HA ALA 27 HA ALA 27 4.232 -16.446 -3.656 242 1HB ALA 27 2HB ALA 27 2.940 -13.840 -2.709 243 2HB ALA 27 3HB ALA 27 3.381 -14.185 -4.389 244 3HB ALA 27 1HB ALA 27 2.179 -15.207 -3.576 245 H TYR 28 H TYR 28 5.217 -13.795 -1.395 246 HA TYR 28 HA TYR 28 7.218 -12.756 -3.082 247 1HB TYR 28 1HB TYR 28 6.358 -11.912 -0.746 248 2HB TYR 28 2HB TYR 28 7.687 -12.861 -0.102 249 HD1 TYR 28 2HD TYR 28 6.754 -10.056 -2.374 250 HD2 TYR 28 1HD TYR 28 10.021 -12.066 -0.408 251 HE1 TYR 28 2HE TYR 28 8.332 -8.354 -3.238 252 HE2 TYR 28 1HE TYR 28 11.562 -10.265 -1.146 253 HH TYR 28 HH TYR 28 11.830 -8.477 -2.712 254 H GLU 29 H GLU 29 7.212 -15.734 -1.313 255 HA GLU 29 HA GLU 29 9.962 -16.411 -1.247 256 1HB GLU 29 1HB GLU 29 8.045 -17.731 -0.279 257 2HB GLU 29 2HB GLU 29 7.480 -18.088 -1.912 258 1HG GLU 29 1HG GLU 29 9.721 -19.213 -2.327 259 2HG GLU 29 2HG GLU 29 10.057 -19.005 -0.596 260 H ARG 30 H ARG 30 7.480 -16.736 -3.835 261 HA ARG 30 HA ARG 30 9.569 -17.933 -5.530 262 1HB ARG 30 1HB ARG 30 7.847 -19.186 -6.578 263 2HB ARG 30 2HB ARG 30 7.766 -19.313 -4.814 264 1HG ARG 30 1HG ARG 30 5.848 -17.543 -5.001 265 2HG ARG 30 2HG ARG 30 5.831 -17.993 -6.712 266 1HD ARG 30 1HD ARG 30 4.222 -19.326 -5.766 267 2HD ARG 30 2HD ARG 30 5.569 -20.439 -5.945 268 HE ARG 30 HE ARG 30 4.516 -19.119 -3.454 269 1HH1 ARG 30 2HH2 ARG 30 6.908 -21.437 -4.693 270 2HH1 ARG 30 1HH2 ARG 30 7.457 -21.771 -3.071 271 1HH2 ARG 30 2HH1 ARG 30 5.052 -19.833 -1.504 272 2HH2 ARG 30 1HH1 ARG 30 6.322 -20.957 -1.224 273 H GLN 31 H GLN 31 6.515 -16.059 -6.327 274 HA GLN 31 HA GLN 31 7.999 -15.265 -8.785 275 1HB GLN 31 1HB GLN 31 5.521 -16.325 -8.459 276 2HB GLN 31 2HB GLN 31 5.141 -14.594 -8.685 277 1HG GLN 31 1HG GLN 31 6.499 -14.636 -10.761 278 2HG GLN 31 2HG GLN 31 6.848 -16.354 -10.489 279 1HE2 GLN 31 2HE2 GLN 31 3.033 -16.840 -10.982 280 2HE2 GLN 31 1HE2 GLN 31 3.803 -16.616 -9.442 281 H LYS 32 H LYS 32 9.279 -14.057 -7.375 282 HA LYS 32 HA LYS 32 8.303 -12.287 -5.554 283 1HB LYS 32 1HB LYS 32 10.603 -13.477 -5.906 284 2HB LYS 32 2HB LYS 32 11.107 -11.971 -6.686 285 1HG LYS 32 1HG LYS 32 10.835 -10.757 -4.602 286 2HG LYS 32 2HG LYS 32 9.774 -11.990 -3.955 287 1HD LYS 32 1HD LYS 32 11.882 -12.240 -2.828 288 2HD LYS 32 2HD LYS 32 11.559 -13.658 -3.808 289 1HE LYS 32 1HE LYS 32 13.933 -12.834 -3.870 290 2HE LYS 32 2HE LYS 32 13.187 -13.049 -5.461 291 1HZ LYS 32 1HZ LYS 32 13.241 -10.436 -4.077 292 2HZ LYS 32 2HZ LYS 32 14.434 -10.824 -5.020 293 3HZ LYS 32 3HZ LYS 32 12.923 -10.707 -5.650 294 H ASN 33 H ASN 33 7.804 -11.577 -8.656 295 HA ASN 33 HA ASN 33 7.312 -8.850 -7.871 296 1HB ASN 33 1HB ASN 33 8.937 -9.537 -10.331 297 2HB ASN 33 2HB ASN 33 7.687 -8.295 -10.478 298 1HD2 ASN 33 2HD2 ASN 33 10.830 -7.578 -7.904 299 2HD2 ASN 33 1HD2 ASN 33 10.418 -9.211 -8.363 300 HA PRO 34 HA PRO 34 3.378 -10.205 -9.051 301 1HB PRO 34 1HB PRO 34 2.106 -7.795 -9.652 302 2HB PRO 34 2HB PRO 34 2.536 -8.346 -8.011 303 1HG PRO 34 1HG PRO 34 4.042 -6.483 -9.852 304 2HG PRO 34 2HG PRO 34 3.647 -6.233 -8.121 305 1HD PRO 34 1HD PRO 34 6.079 -7.152 -8.868 306 2HD PRO 34 2HD PRO 34 5.260 -7.890 -7.455 307 H SER 35 H SER 35 3.638 -11.473 -10.952 308 HA SER 35 HA SER 35 3.799 -10.214 -13.586 309 1HB SER 35 1HB SER 35 3.739 -12.662 -14.259 310 2HB SER 35 2HB SER 35 5.049 -12.234 -13.141 311 HG SER 35 HG SER 35 3.949 -14.099 -12.411 312 H LYS 36 H LYS 36 1.726 -12.928 -12.963 313 HA LYS 36 HA LYS 36 -0.755 -11.356 -13.461 314 1HB LYS 36 1HB LYS 36 0.057 -12.636 -15.527 315 2HB LYS 36 2HB LYS 36 -0.277 -14.121 -14.672 316 1HG LYS 36 1HG LYS 36 -2.239 -11.949 -15.556 317 2HG LYS 36 2HG LYS 36 -2.015 -13.556 -16.220 318 1HD LYS 36 1HD LYS 36 -3.927 -13.943 -15.108 319 2HD LYS 36 2HD LYS 36 -2.827 -14.407 -13.828 320 1HE LYS 36 1HE LYS 36 -3.114 -11.977 -12.928 321 2HE LYS 36 2HE LYS 36 -4.270 -11.714 -14.221 322 1HZ LYS 36 1HZ LYS 36 -4.631 -13.665 -12.002 323 2HZ LYS 36 2HZ LYS 36 -5.260 -12.142 -12.160 324 3HZ LYS 36 3HZ LYS 36 -5.697 -13.361 -13.159 325 H GLU 37 H GLU 37 -0.501 -14.906 -12.864 326 HA GLU 37 HA GLU 37 -2.738 -14.383 -11.417 327 1HB GLU 37 1HB GLU 37 -1.389 -16.726 -12.408 328 2HB GLU 37 2HB GLU 37 -1.592 -16.956 -10.689 329 1HG GLU 37 1HG GLU 37 -3.721 -16.543 -12.814 330 2HG GLU 37 2HG GLU 37 -3.568 -17.865 -11.646 331 H GLU 38 H GLU 38 0.474 -15.095 -10.266 332 HA GLU 38 HA GLU 38 0.461 -15.457 -7.665 333 1HB GLU 38 1HB GLU 38 2.432 -14.708 -9.226 334 2HB GLU 38 2HB GLU 38 2.037 -13.071 -8.743 335 1HG GLU 38 1HG GLU 38 3.620 -13.565 -7.153 336 2HG GLU 38 2HG GLU 38 2.179 -14.089 -6.281 337 H ARG 39 H ARG 39 -0.060 -12.224 -9.029 338 HA ARG 39 HA ARG 39 -0.491 -10.801 -6.628 339 1HB ARG 39 1HB ARG 39 -1.721 -10.586 -9.433 340 2HB ARG 39 2HB ARG 39 -1.932 -9.288 -8.265 341 1HG ARG 39 1HG ARG 39 0.122 -8.425 -8.676 342 2HG ARG 39 2HG ARG 39 0.872 -10.003 -9.027 343 1HD ARG 39 1HD ARG 39 0.518 -8.419 -11.075 344 2HD ARG 39 2HD ARG 39 0.024 -10.105 -11.193 345 HE ARG 39 HE ARG 39 -2.336 -8.918 -10.417 346 1HH1 ARG 39 2HH2 ARG 39 -0.143 -8.812 -13.178 347 2HH1 ARG 39 1HH2 ARG 39 -1.344 -8.191 -14.265 348 1HH2 ARG 39 2HH1 ARG 39 -3.882 -8.442 -11.786 349 2HH2 ARG 39 1HH1 ARG 39 -3.657 -8.054 -13.456 350 H GLU 40 H GLU 40 -2.802 -12.196 -8.888 351 HA GLU 40 HA GLU 40 -5.047 -10.906 -7.640 352 1HB GLU 40 1HB GLU 40 -4.393 -12.444 -9.996 353 2HB GLU 40 2HB GLU 40 -5.919 -12.981 -9.309 354 1HG GLU 40 1HG GLU 40 -6.746 -11.302 -10.630 355 2HG GLU 40 2HG GLU 40 -6.413 -10.312 -9.212 356 H THR 41 H THR 41 -3.507 -14.049 -7.693 357 HA THR 41 HA THR 41 -5.140 -15.678 -6.179 358 HB THR 41 HB THR 41 -2.350 -15.535 -7.144 359 HG1 THR 41 1HG THR 41 -3.837 -16.900 -8.000 360 1HG2 THR 41 2HG2 THR 41 -2.644 -16.913 -4.500 361 2HG2 THR 41 3HG2 THR 41 -1.312 -17.099 -5.681 362 3HG2 THR 41 1HG2 THR 41 -1.578 -15.547 -4.913 363 H LEU 42 H LEU 42 -2.551 -13.269 -4.973 364 HA LEU 42 HA LEU 42 -3.119 -13.828 -2.319 365 1HB LEU 42 1HB LEU 42 -2.516 -11.011 -2.978 366 2HB LEU 42 2HB LEU 42 -1.951 -12.105 -1.724 367 HG LEU 42 HG LEU 42 -0.973 -12.259 -4.564 368 1HD1 LEU 42 2HD1 LEU 42 0.035 -10.668 -2.231 369 2HD1 LEU 42 3HD1 LEU 42 1.135 -11.300 -3.455 370 3HD1 LEU 42 1HD1 LEU 42 -0.172 -10.187 -3.919 371 1HD2 LEU 42 2HD2 LEU 42 -0.816 -14.259 -2.913 372 2HD2 LEU 42 3HD2 LEU 42 0.722 -13.613 -3.523 373 3HD2 LEU 42 1HD2 LEU 42 0.166 -13.199 -1.884 374 H VAL 43 H VAL 43 -4.898 -11.685 -4.546 375 HA VAL 43 HA VAL 43 -6.420 -10.532 -2.376 376 HB VAL 43 HB VAL 43 -7.419 -10.762 -5.249 377 1HG1 VAL 43 2HG1 VAL 43 -7.875 -8.905 -2.860 378 2HG1 VAL 43 3HG1 VAL 43 -8.630 -8.671 -4.449 379 3HG1 VAL 43 1HG1 VAL 43 -9.030 -10.100 -3.465 380 1HG2 VAL 43 3HG2 VAL 43 -5.666 -8.562 -4.067 381 2HG2 VAL 43 1HG2 VAL 43 -5.236 -9.652 -5.411 382 3HG2 VAL 43 2HG2 VAL 43 -6.529 -8.475 -5.603 383 H GLU 44 H GLU 44 -6.791 -13.337 -4.548 384 HA GLU 44 HA GLU 44 -9.316 -14.179 -3.686 385 1HB GLU 44 1HB GLU 44 -7.458 -15.042 -5.559 386 2HB GLU 44 2HB GLU 44 -7.338 -16.337 -4.371 387 1HG GLU 44 1HG GLU 44 -9.720 -15.405 -5.942 388 2HG GLU 44 2HG GLU 44 -8.932 -16.990 -5.953 389 H GLU 45 H GLU 45 -6.195 -15.570 -2.760 390 HA GLU 45 HA GLU 45 -6.906 -17.338 -0.788 391 1HB GLU 45 1HB GLU 45 -4.513 -16.039 -1.754 392 2HB GLU 45 2HB GLU 45 -4.423 -16.263 -0.019 393 1HG GLU 45 1HG GLU 45 -5.007 -18.513 -1.944 394 2HG GLU 45 2HG GLU 45 -3.395 -18.053 -1.415 395 H CYS 46 H CYS 46 -6.060 -13.838 -0.504 396 HA CYS 46 HA CYS 46 -6.363 -13.617 2.317 397 1HB CYS 46 1HB CYS 46 -5.362 -11.733 0.961 398 2HB CYS 46 2HB CYS 46 -6.918 -11.482 0.181 399 HG CYS 46 HG CYS 46 -5.827 -10.400 2.800 400 H ASN 47 H ASN 47 -8.598 -12.874 -0.370 401 HA ASN 47 HA ASN 47 -10.825 -11.891 1.004 402 1HB ASN 47 1HB ASN 47 -10.446 -13.321 -1.646 403 2HB ASN 47 2HB ASN 47 -12.054 -13.139 -1.029 404 1HD2 ASN 47 2HD2 ASN 47 -11.543 -10.364 -3.343 405 2HD2 ASN 47 1HD2 ASN 47 -11.491 -12.121 -3.402 406 H ARG 48 H ARG 48 -10.262 -15.138 -0.174 407 HA ARG 48 HA ARG 48 -12.390 -16.633 0.760 408 1HB ARG 48 1HB ARG 48 -10.691 -17.223 -0.901 409 2HB ARG 48 2HB ARG 48 -9.419 -17.145 0.313 410 1HG ARG 48 1HG ARG 48 -10.645 -19.147 1.441 411 2HG ARG 48 2HG ARG 48 -11.463 -19.308 -0.128 412 1HD ARG 48 1HD ARG 48 -8.451 -19.300 0.445 413 2HD ARG 48 2HD ARG 48 -9.409 -20.680 -0.119 414 HE ARG 48 HE ARG 48 -9.679 -18.614 -2.087 415 1HH1 ARG 48 2HH2 ARG 48 -6.791 -20.087 -0.672 416 2HH1 ARG 48 1HH2 ARG 48 -6.129 -20.565 -2.168 417 1HH2 ARG 48 2HH1 ARG 48 -8.606 -18.723 -3.939 418 2HH2 ARG 48 1HH1 ARG 48 -7.050 -19.504 -4.148 419 H ALA 49 H ALA 49 -9.138 -16.273 2.223 420 HA ALA 49 HA ALA 49 -9.790 -17.768 4.557 421 1HB ALA 49 3HB ALA 49 -7.477 -17.399 3.810 422 2HB ALA 49 1HB ALA 49 -7.608 -15.669 4.206 423 3HB ALA 49 2HB ALA 49 -7.697 -16.889 5.499 424 H GLU 50 H GLU 50 -9.990 -14.247 3.923 425 HA GLU 50 HA GLU 50 -10.422 -13.732 6.761 426 1HB GLU 50 1HB GLU 50 -9.088 -12.303 5.115 427 2HB GLU 50 2HB GLU 50 -10.633 -11.681 4.580 428 1HG GLU 50 1HG GLU 50 -10.678 -10.275 6.391 429 2HG GLU 50 2HG GLU 50 -10.477 -11.620 7.525 430 H CYS 51 H CYS 51 -12.343 -14.242 3.877 431 HA CYS 51 HA CYS 51 -14.845 -13.404 4.840 432 1HB CYS 51 1HB CYS 51 -15.558 -14.071 2.879 433 2HB CYS 51 2HB CYS 51 -13.985 -14.780 2.577 434 HG CYS 51 HG CYS 51 -16.621 -16.124 4.048 435 H ILE 52 H ILE 52 -13.017 -16.450 5.267 436 HA ILE 52 HA ILE 52 -15.063 -17.762 6.823 437 HB ILE 52 HB ILE 52 -12.068 -18.161 6.386 438 1HG1 ILE 52 1HG1 ILE 52 -14.470 -19.838 5.548 439 2HG1 ILE 52 2HG1 ILE 52 -13.706 -18.614 4.530 440 1HG2 ILE 52 2HG2 ILE 52 -12.521 -18.976 8.654 441 2HG2 ILE 52 3HG2 ILE 52 -13.863 -19.969 8.033 442 3HG2 ILE 52 1HG2 ILE 52 -12.182 -20.298 7.554 443 1HD1 ILE 52 1HD1 ILE 52 -11.540 -19.857 4.684 444 2HD1 ILE 52 2HD1 ILE 52 -12.404 -21.176 5.516 445 3HD1 ILE 52 3HD1 ILE 52 -12.846 -20.733 3.863 446 H GLN 53 H GLN 53 -12.075 -16.014 7.625 447 HA GLN 53 HA GLN 53 -12.208 -16.163 10.432 448 1HB GLN 53 1HB GLN 53 -11.324 -13.827 8.698 449 2HB GLN 53 2HB GLN 53 -11.151 -13.834 10.436 450 1HG GLN 53 1HG GLN 53 -9.709 -15.792 10.413 451 2HG GLN 53 2HG GLN 53 -9.879 -15.968 8.663 452 1HE2 GLN 53 2HE2 GLN 53 -7.785 -13.186 7.876 453 2HE2 GLN 53 1HE2 GLN 53 -8.622 -14.615 7.306 454 H ARG 54 H ARG 54 -14.028 -13.938 8.293 455 HA ARG 54 HA ARG 54 -15.272 -12.659 10.712 456 1HB ARG 54 1HB ARG 54 -14.771 -11.673 7.898 457 2HB ARG 54 2HB ARG 54 -15.559 -10.749 9.191 458 1HG ARG 54 1HG ARG 54 -13.551 -10.677 10.511 459 2HG ARG 54 2HG ARG 54 -12.718 -11.876 9.510 460 1HD ARG 54 1HD ARG 54 -11.914 -9.606 8.941 461 2HD ARG 54 2HD ARG 54 -12.681 -10.455 7.609 462 HE ARG 54 HE ARG 54 -14.549 -9.105 7.656 463 1HH1 ARG 54 2HH2 ARG 54 -12.533 -8.254 10.509 464 2HH1 ARG 54 1HH2 ARG 54 -13.243 -6.652 10.596 465 1HH2 ARG 54 2HH1 ARG 54 -15.572 -7.226 8.039 466 2HH2 ARG 54 1HH1 ARG 54 -15.239 -6.227 9.420 467 H GLY 55 H GLY 55 -16.041 -15.170 8.945 468 1HA GLY 55 1HA GLY 55 -17.802 -16.041 7.861 469 2HA GLY 55 2HA GLY 55 -18.718 -15.368 9.200 470 H VAL 56 H VAL 56 -17.051 -13.955 6.365 471 HA VAL 56 HA VAL 56 -19.494 -12.451 5.576 472 HB VAL 56 HB VAL 56 -16.760 -12.579 4.241 473 1HG1 VAL 56 1HG1 VAL 56 -19.201 -10.801 3.699 474 2HG1 VAL 56 2HG1 VAL 56 -17.592 -10.547 3.008 475 3HG1 VAL 56 3HG1 VAL 56 -18.505 -11.979 2.579 476 1HG2 VAL 56 2HG2 VAL 56 -18.083 -10.387 5.850 477 2HG2 VAL 56 3HG2 VAL 56 -16.666 -11.354 6.360 478 3HG2 VAL 56 1HG2 VAL 56 -16.549 -10.246 4.972 479 H SER 57 H SER 57 -20.557 -13.001 3.699 480 HA SER 57 HA SER 57 -20.952 -15.548 2.702 481 1HB SER 57 1HB SER 57 -21.459 -12.788 2.046 482 2HB SER 57 2HB SER 57 -21.132 -13.690 0.562 483 HG SER 57 HG SER 57 -22.739 -15.193 1.158 484 HA PRO 58 HA PRO 58 -16.810 -15.948 0.622 485 1HB PRO 58 1HB PRO 58 -17.339 -18.064 -1.070 486 2HB PRO 58 2HB PRO 58 -16.938 -18.239 0.660 487 1HG PRO 58 1HG PRO 58 -19.690 -18.241 -0.602 488 2HG PRO 58 2HG PRO 58 -19.038 -19.365 0.621 489 1HD PRO 58 1HD PRO 58 -20.619 -17.284 1.332 490 2HD PRO 58 2HD PRO 58 -19.219 -17.745 2.343 491 H SER 59 H SER 59 -19.919 -16.130 -1.107 492 HA SER 59 HA SER 59 -19.130 -15.063 -3.604 493 1HB SER 59 1HB SER 59 -21.707 -14.480 -3.519 494 2HB SER 59 2HB SER 59 -21.162 -16.164 -3.557 495 HG SER 59 HG SER 59 -22.693 -15.851 -1.884 496 H GLN 60 H GLN 60 -19.048 -13.457 -0.598 497 HA GLN 60 HA GLN 60 -18.957 -10.848 -1.972 498 1HB GLN 60 1HB GLN 60 -20.177 -11.309 0.784 499 2HB GLN 60 2HB GLN 60 -20.033 -9.757 -0.052 500 1HG GLN 60 1HG GLN 60 -21.669 -10.435 -1.728 501 2HG GLN 60 2HG GLN 60 -21.798 -12.052 -1.013 502 1HE2 GLN 60 2HE2 GLN 60 -24.675 -10.410 0.459 503 2HE2 GLN 60 1HE2 GLN 60 -24.183 -11.156 -1.052 504 H ALA 61 H ALA 61 -16.959 -12.908 -1.188 505 HA ALA 61 HA ALA 61 -15.739 -12.142 1.238 506 1HB ALA 61 3HB ALA 61 -15.072 -14.197 0.083 507 2HB ALA 61 1HB ALA 61 -14.318 -13.218 -1.211 508 3HB ALA 61 2HB ALA 61 -13.705 -13.143 0.459 509 H GLN 62 H GLN 62 -15.743 -10.503 -1.814 510 HA GLN 62 HA GLN 62 -13.624 -8.706 -1.127 511 1HB GLN 62 1HB GLN 62 -14.690 -9.257 -3.467 512 2HB GLN 62 2HB GLN 62 -15.784 -7.946 -3.033 513 1HG GLN 62 1HG GLN 62 -14.011 -7.095 -4.420 514 2HG GLN 62 2HG GLN 62 -13.782 -6.441 -2.806 515 1HE2 GLN 62 2HE2 GLN 62 -10.484 -7.745 -2.561 516 2HE2 GLN 62 1HE2 GLN 62 -11.683 -6.631 -1.993 517 H GLY 63 H GLY 63 -15.423 -9.018 1.073 518 1HA GLY 63 1HA GLY 63 -16.965 -6.469 1.322 519 2HA GLY 63 2HA GLY 63 -17.186 -7.944 2.256 520 H LEU 64 H LEU 64 -15.661 -8.553 3.757 521 HA LEU 64 HA LEU 64 -14.429 -8.285 5.621 522 1HB LEU 64 1HB LEU 64 -12.374 -7.218 3.732 523 2HB LEU 64 2HB LEU 64 -12.137 -8.170 5.215 524 HG LEU 64 HG LEU 64 -13.520 -9.208 2.747 525 1HD1 LEU 64 2HD1 LEU 64 -10.657 -9.486 3.782 526 2HD1 LEU 64 3HD1 LEU 64 -11.366 -10.540 2.545 527 3HD1 LEU 64 1HD1 LEU 64 -11.175 -8.815 2.224 528 1HD2 LEU 64 3HD2 LEU 64 -12.629 -10.638 5.246 529 2HD2 LEU 64 1HD2 LEU 64 -14.294 -10.390 4.688 530 3HD2 LEU 64 2HD2 LEU 64 -13.201 -11.407 3.746 531 H GLY 65 H GLY 65 -16.012 -5.867 5.112 532 1HA GLY 65 1HA GLY 65 -15.973 -3.583 5.212 533 2HA GLY 65 2HA GLY 65 -15.738 -3.995 6.917 534 H SER 66 H SER 66 -13.518 -3.822 7.769 535 HA SER 66 HA SER 66 -12.150 -1.513 6.502 536 1HB SER 66 1HB SER 66 -13.194 -1.358 8.787 537 2HB SER 66 2HB SER 66 -11.946 -2.491 9.363 538 HG SER 66 HG SER 66 -10.448 -1.014 9.080 539 H ASN 67 H ASN 67 -11.667 -4.574 6.028 540 HA ASN 67 HA ASN 67 -8.695 -4.637 6.548 541 1HB ASN 67 1HB ASN 67 -10.674 -6.894 6.073 542 2HB ASN 67 2HB ASN 67 -8.956 -7.067 6.334 543 1HD2 ASN 67 2HD2 ASN 67 -11.493 -5.954 9.441 544 2HD2 ASN 67 1HD2 ASN 67 -11.992 -5.975 7.752 545 H LEU 68 H LEU 68 -11.289 -4.926 4.257 546 HA LEU 68 HA LEU 68 -10.696 -6.499 2.412 547 1HB LEU 68 1HB LEU 68 -12.524 -4.918 2.391 548 2HB LEU 68 2HB LEU 68 -11.460 -3.637 1.779 549 HG LEU 68 HG LEU 68 -11.044 -5.140 -0.263 550 1HD1 LEU 68 2HD1 LEU 68 -13.118 -6.852 1.177 551 2HD1 LEU 68 3HD1 LEU 68 -12.969 -6.799 -0.573 552 3HD1 LEU 68 1HD1 LEU 68 -11.610 -7.357 0.396 553 1HD2 LEU 68 1HD2 LEU 68 -13.856 -4.255 0.395 554 2HD2 LEU 68 2HD2 LEU 68 -12.563 -3.231 -0.256 555 3HD2 LEU 68 3HD2 LEU 68 -13.226 -4.544 -1.249 556 H VAL 69 H VAL 69 -9.173 -7.148 1.267 557 HA VAL 69 HA VAL 69 -6.871 -5.473 0.456 558 HB VAL 69 HB VAL 69 -7.429 -8.467 0.237 559 1HG1 VAL 69 2HG1 VAL 69 -5.939 -7.569 -1.589 560 2HG1 VAL 69 3HG1 VAL 69 -4.897 -6.888 -0.326 561 3HG1 VAL 69 1HG1 VAL 69 -5.129 -8.656 -0.471 562 1HG2 VAL 69 1HG2 VAL 69 -5.718 -6.773 2.126 563 2HG2 VAL 69 2HG2 VAL 69 -7.068 -7.831 2.562 564 3HG2 VAL 69 3HG2 VAL 69 -5.550 -8.522 1.960 565 H THR 70 H THR 70 -7.240 -4.348 -1.386 566 HA THR 70 HA THR 70 -8.632 -5.665 -3.666 567 HB THR 70 HB THR 70 -8.776 -3.227 -4.412 568 HG1 THR 70 1HG THR 70 -8.763 -1.849 -2.431 569 1HG2 THR 70 2HG2 THR 70 -10.536 -4.701 -3.135 570 2HG2 THR 70 3HG2 THR 70 -10.037 -3.794 -1.686 571 3HG2 THR 70 1HG2 THR 70 -10.775 -2.969 -3.067 572 H GLU 71 H GLU 71 -7.758 -5.047 -5.806 573 HA GLU 71 HA GLU 71 -5.350 -6.034 -6.549 574 1HB GLU 71 1HB GLU 71 -6.810 -3.498 -7.460 575 2HB GLU 71 2HB GLU 71 -5.463 -4.214 -8.354 576 1HG GLU 71 1HG GLU 71 -6.720 -6.030 -9.094 577 2HG GLU 71 2HG GLU 71 -7.929 -5.865 -7.805 578 H VAL 72 H VAL 72 -5.999 -2.625 -5.806 579 HA VAL 72 HA VAL 72 -3.448 -1.567 -6.149 580 HB VAL 72 HB VAL 72 -5.930 -0.832 -4.664 581 1HG1 VAL 72 1HG1 VAL 72 -3.493 0.949 -4.662 582 2HG1 VAL 72 2HG1 VAL 72 -5.137 1.420 -4.182 583 3HG1 VAL 72 3HG1 VAL 72 -4.262 0.220 -3.226 584 1HG2 VAL 72 3HG2 VAL 72 -5.757 -0.635 -7.164 585 2HG2 VAL 72 1HG2 VAL 72 -6.127 0.895 -6.338 586 3HG2 VAL 72 2HG2 VAL 72 -4.487 0.587 -6.916 587 H ARG 73 H ARG 73 -4.771 -3.282 -3.324 588 HA ARG 73 HA ARG 73 -2.604 -2.444 -1.565 589 1HB ARG 73 1HB ARG 73 -4.492 -4.820 -1.304 590 2HB ARG 73 2HB ARG 73 -3.438 -4.160 -0.057 591 1HG ARG 73 1HG ARG 73 -5.846 -2.811 -1.359 592 2HG ARG 73 2HG ARG 73 -5.691 -3.307 0.322 593 1HD ARG 73 1HD ARG 73 -4.248 -1.076 -1.140 594 2HD ARG 73 2HD ARG 73 -5.410 -0.934 0.159 595 HE ARG 73 HE ARG 73 -3.673 -2.275 1.515 596 1HH1 ARG 73 2HH2 ARG 73 -2.758 0.267 -0.829 597 2HH1 ARG 73 1HH2 ARG 73 -1.322 0.727 0.033 598 1HH2 ARG 73 2HH1 ARG 73 -1.640 -1.909 2.423 599 2HH2 ARG 73 1HH1 ARG 73 -0.582 -0.667 1.834 600 H VAL 74 H VAL 74 -3.308 -5.347 -3.564 601 HA VAL 74 HA VAL 74 -0.904 -6.705 -2.917 602 HB VAL 74 HB VAL 74 -2.662 -6.693 -5.413 603 1HG1 VAL 74 3HG1 VAL 74 -0.136 -8.258 -4.880 604 2HG1 VAL 74 1HG1 VAL 74 -1.385 -8.766 -6.038 605 3HG1 VAL 74 2HG1 VAL 74 -0.504 -7.257 -6.301 606 1HG2 VAL 74 1HG2 VAL 74 -3.570 -7.726 -3.347 607 2HG2 VAL 74 2HG2 VAL 74 -3.239 -8.930 -4.604 608 3HG2 VAL 74 3HG2 VAL 74 -2.115 -8.759 -3.256 609 H TYR 75 H TYR 75 -1.647 -4.398 -5.535 610 HA TYR 75 HA TYR 75 0.851 -4.222 -6.718 611 1HB TYR 75 1HB TYR 75 -1.472 -3.005 -7.249 612 2HB TYR 75 2HB TYR 75 -0.812 -1.738 -6.268 613 HD1 TYR 75 1HD TYR 75 1.464 -0.694 -6.884 614 HD2 TYR 75 2HD TYR 75 -0.521 -3.507 -9.473 615 HE1 TYR 75 1HE TYR 75 2.621 0.290 -8.819 616 HE2 TYR 75 2HE TYR 75 0.785 -2.627 -11.398 617 HH TYR 75 HH TYR 75 2.731 0.340 -11.133 618 H ASN 76 H ASN 76 -0.406 -2.163 -4.084 619 HA ASN 76 HA ASN 76 1.927 -0.654 -3.621 620 1HB ASN 76 1HB ASN 76 -0.535 -1.306 -1.993 621 2HB ASN 76 2HB ASN 76 0.823 -0.555 -1.184 622 1HD2 ASN 76 2HD2 ASN 76 -1.506 1.826 -3.397 623 2HD2 ASN 76 1HD2 ASN 76 -1.833 0.094 -3.253 624 H TRP 77 H TRP 77 0.930 -3.753 -2.107 625 HA TRP 77 HA TRP 77 3.044 -3.714 -0.156 626 1HB TRP 77 1HB TRP 77 1.877 -5.398 0.661 627 2HB TRP 77 2HB TRP 77 0.818 -5.395 -0.740 628 HD1 TRP 77 HD TRP 77 1.226 -7.263 -2.580 629 HE1 TRP 77 1HE TRP 77 2.705 -9.313 -2.776 630 HE3 TRP 77 3HE TRP 77 3.847 -6.742 1.783 631 HZ2 TRP 77 2HZ TRP 77 4.685 -10.620 -1.217 632 HZ3 TRP 77 3HZ TRP 77 5.289 -8.593 2.547 633 HH2 TRP 77 HH TRP 77 5.772 -10.520 1.037 634 H PHE 78 H PHE 78 2.671 -5.467 -3.285 635 HA PHE 78 HA PHE 78 5.259 -6.615 -3.182 636 1HB PHE 78 1HB PHE 78 3.271 -6.091 -5.398 637 2HB PHE 78 2HB PHE 78 4.928 -6.464 -5.829 638 HD1 PHE 78 2HD PHE 78 6.009 -8.531 -4.370 639 HD2 PHE 78 1HD PHE 78 1.933 -8.016 -5.676 640 HE1 PHE 78 2HE PHE 78 5.657 -10.992 -4.284 641 HE2 PHE 78 1HE PHE 78 1.643 -10.492 -5.670 642 HZ PHE 78 HZ PHE 78 3.447 -11.953 -4.796 643 H ALA 79 H ALA 79 4.098 -3.631 -4.754 644 HA ALA 79 HA ALA 79 6.464 -2.697 -5.914 645 1HB ALA 79 3HB ALA 79 4.261 -1.144 -4.488 646 2HB ALA 79 1HB ALA 79 5.525 -0.419 -5.484 647 3HB ALA 79 2HB ALA 79 4.349 -1.523 -6.223 648 H ASN 80 H ASN 80 5.266 -2.164 -2.544 649 HA ASN 80 HA ASN 80 7.512 -0.639 -1.816 650 1HB ASN 80 1HB ASN 80 5.290 -0.779 -0.646 651 2HB ASN 80 2HB ASN 80 5.837 -2.266 0.137 652 1HD2 ASN 80 2HD2 ASN 80 8.074 -0.482 2.339 653 2HD2 ASN 80 1HD2 ASN 80 7.385 -2.043 1.866 654 H ARG 81 H ARG 81 6.876 -4.131 -1.240 655 HA ARG 81 HA ARG 81 9.282 -4.735 0.126 656 1HB ARG 81 1HB ARG 81 7.639 -6.420 -1.805 657 2HB ARG 81 2HB ARG 81 8.959 -7.050 -0.808 658 1HG ARG 81 1HG ARG 81 6.680 -5.589 0.520 659 2HG ARG 81 2HG ARG 81 6.428 -7.215 -0.090 660 1HD ARG 81 1HD ARG 81 8.740 -6.552 1.792 661 2HD ARG 81 2HD ARG 81 7.111 -6.942 2.349 662 HE ARG 81 HE ARG 81 8.305 -8.872 0.461 663 1HH1 ARG 81 2HH2 ARG 81 7.684 -8.117 3.923 664 2HH1 ARG 81 1HH2 ARG 81 7.735 -9.778 4.382 665 1HH2 ARG 81 2HH1 ARG 81 8.292 -11.101 1.182 666 2HH2 ARG 81 1HH1 ARG 81 7.995 -11.460 2.852 667 H ARG 82 H ARG 82 8.585 -5.195 -3.397 668 HA ARG 82 HA ARG 82 11.295 -5.923 -3.926 669 1HB ARG 82 1HB ARG 82 10.744 -5.978 -6.235 670 2HB ARG 82 2HB ARG 82 9.394 -6.624 -5.308 671 1HG ARG 82 1HG ARG 82 8.151 -5.331 -6.638 672 2HG ARG 82 2HG ARG 82 8.564 -4.074 -5.470 673 1HD ARG 82 1HD ARG 82 10.456 -3.351 -6.930 674 2HD ARG 82 2HD ARG 82 9.973 -4.519 -8.142 675 HE ARG 82 HE ARG 82 8.630 -2.029 -7.316 676 1HH1 ARG 82 2HH2 ARG 82 8.241 -5.026 -9.124 677 2HH1 ARG 82 1HH2 ARG 82 6.887 -4.502 -10.064 678 1HH2 ARG 82 2HH1 ARG 82 6.795 -1.267 -8.504 679 2HH2 ARG 82 1HH1 ARG 82 6.024 -2.324 -9.651 680 H LYS 83 H LYS 83 9.772 -2.767 -3.625 681 HA LYS 83 HA LYS 83 11.986 -1.389 -4.875 682 1HB LYS 83 1HB LYS 83 9.794 -0.282 -4.745 683 2HB LYS 83 2HB LYS 83 9.755 -0.530 -2.997 684 1HG LYS 83 1HG LYS 83 10.214 1.694 -3.217 685 2HG LYS 83 2HG LYS 83 11.779 0.986 -2.813 686 1HD LYS 83 1HD LYS 83 12.243 0.963 -5.372 687 2HD LYS 83 2HD LYS 83 10.812 1.996 -5.519 688 1HE LYS 83 1HE LYS 83 13.416 2.556 -4.021 689 2HE LYS 83 2HE LYS 83 12.758 3.408 -5.418 690 1HZ LYS 83 1HZ LYS 83 10.925 4.155 -3.910 691 2HZ LYS 83 2HZ LYS 83 11.734 3.487 -2.640 692 3HZ LYS 83 3HZ LYS 83 12.433 4.696 -3.509 693 H GLU 84 H GLU 84 11.167 -2.332 -1.531 694 HA GLU 84 HA GLU 84 13.421 -1.147 -0.279 695 1HB GLU 84 1HB GLU 84 11.282 -2.661 0.594 696 2HB GLU 84 2HB GLU 84 12.551 -3.871 0.614 697 1HG GLU 84 1HG GLU 84 12.877 -3.076 2.717 698 2HG GLU 84 2HG GLU 84 13.828 -1.813 1.926 699 H GLU 85 H GLU 85 12.939 -4.059 -2.216 700 HA GLU 85 HA GLU 85 15.535 -5.218 -1.591 701 1HB GLU 85 1HB GLU 85 13.401 -6.483 -2.271 702 2HB GLU 85 2HB GLU 85 13.765 -6.000 -3.940 703 1HG GLU 85 1HG GLU 85 16.024 -7.060 -3.701 704 2HG GLU 85 2HG GLU 85 15.583 -7.586 -2.067 705 H ALA 86 H ALA 86 14.094 -3.676 -4.466 706 HA ALA 86 HA ALA 86 16.325 -3.610 -6.137 707 1HB ALA 86 3HB ALA 86 14.051 -3.072 -6.896 708 2HB ALA 86 1HB ALA 86 14.076 -1.568 -5.941 709 3HB ALA 86 2HB ALA 86 15.186 -1.773 -7.309 710 H PHE 87 H PHE 87 15.331 -1.320 -3.570 711 HA PHE 87 HA PHE 87 17.374 0.609 -3.898 712 1HB PHE 87 1HB PHE 87 15.696 1.085 -2.309 713 2HB PHE 87 2HB PHE 87 15.926 -0.400 -1.420 714 HD1 PHE 87 1HD PHE 87 17.754 2.753 -2.381 715 HD2 PHE 87 2HD PHE 87 17.500 -0.574 0.368 716 HE1 PHE 87 1HE PHE 87 19.480 3.795 -0.925 717 HE2 PHE 87 2HE PHE 87 19.217 0.486 1.792 718 HZ PHE 87 HZ PHE 87 20.050 2.792 1.222 719 H ARG 88 H ARG 88 17.455 -2.325 -1.779 720 HA ARG 88 HA ARG 88 20.191 -2.142 -1.144 721 1HB ARG 88 1HB ARG 88 18.495 -3.569 -0.051 722 2HB ARG 88 2HB ARG 88 18.488 -4.669 -1.423 723 1HG ARG 88 1HG ARG 88 21.125 -4.105 -0.023 724 2HG ARG 88 2HG ARG 88 19.894 -5.034 0.818 725 1HD ARG 88 1HD ARG 88 21.233 -6.659 -0.162 726 2HD ARG 88 2HD ARG 88 19.747 -6.613 -1.135 727 HE ARG 88 HE ARG 88 21.793 -4.880 -2.227 728 1HH1 ARG 88 2HH2 ARG 88 20.912 -8.282 -1.970 729 2HH1 ARG 88 1HH2 ARG 88 21.748 -8.786 -3.403 730 1HH2 ARG 88 2HH1 ARG 88 22.932 -5.482 -4.117 731 2HH2 ARG 88 1HH1 ARG 88 22.970 -7.129 -4.656 732 H HIS 89 H HIS 89 18.591 -3.545 -3.989 733 HA HIS 89 HA HIS 89 20.892 -4.844 -5.048 734 1HB HIS 89 1HB HIS 89 18.454 -5.192 -5.679 735 2HB HIS 89 2HB HIS 89 18.615 -3.768 -6.714 736 HD1 HIS 89 1HD HIS 89 21.520 -4.399 -7.934 737 HD2 HIS 89 2HD HIS 89 18.401 -7.175 -7.345 738 HE1 HIS 89 1HE HIS 89 21.969 -6.360 -9.509 739 H LYS 90 H LYS 90 19.692 -1.512 -5.298 740 HA LYS 90 HA LYS 90 21.458 -0.768 -7.450 741 1HB LYS 90 1HB LYS 90 19.153 0.147 -6.906 742 2HB LYS 90 2HB LYS 90 19.875 1.002 -5.542 743 1HG LYS 90 1HG LYS 90 21.386 1.544 -7.964 744 2HG LYS 90 2HG LYS 90 19.691 1.776 -8.327 745 1HD LYS 90 1HD LYS 90 21.056 3.101 -5.913 746 2HD LYS 90 2HD LYS 90 21.101 3.757 -7.531 747 1HE LYS 90 1HE LYS 90 19.346 4.934 -6.549 748 2HE LYS 90 2HE LYS 90 18.578 3.760 -7.608 749 1HZ LYS 90 3HZ LYS 90 18.143 2.424 -5.613 750 2HZ LYS 90 1HZ LYS 90 18.802 3.628 -4.660 751 3HZ LYS 90 2HZ LYS 90 17.458 3.905 -5.534 752 H LEU 91 H LEU 91 22.765 -1.749 -4.758 753 HA LEU 91 HA LEU 91 24.905 0.019 -4.620 754 1HB LEU 91 1HB LEU 91 24.406 0.887 -2.218 755 2HB LEU 91 2HB LEU 91 23.722 1.736 -3.581 756 HG LEU 91 HG LEU 91 21.781 -0.242 -2.837 757 1HD1 LEU 91 3HD1 LEU 91 22.893 -0.307 -0.567 758 2HD1 LEU 91 1HD1 LEU 91 22.450 1.398 -0.419 759 3HD1 LEU 91 2HD1 LEU 91 21.196 0.181 -0.616 760 1HD2 LEU 91 3HD2 LEU 91 21.398 1.999 -3.882 761 2HD2 LEU 91 1HD2 LEU 91 20.373 1.664 -2.495 762 3HD2 LEU 91 2HD2 LEU 91 21.760 2.754 -2.320 763 H ALA 92 H ALA 92 22.953 -1.713 -2.206 764 HA ALA 92 HA ALA 92 23.449 -3.089 -0.552 765 1HB ALA 92 3HB ALA 92 24.020 -4.601 -2.512 766 2HB ALA 92 1HB ALA 92 25.728 -4.205 -2.238 767 3HB ALA 92 2HB ALA 92 24.802 -5.039 -0.978 768 H MET 93 H MET 93 25.092 -0.504 -0.833 769 HA MET 93 HA MET 93 26.502 -0.859 1.684 770 1HB MET 93 1HB MET 93 28.752 -0.291 0.857 771 2HB MET 93 2HB MET 93 28.180 -1.827 0.218 772 1HG MET 93 1HG MET 93 27.585 -0.691 -1.937 773 2HG MET 93 2HG MET 93 28.188 0.832 -1.277 774 1HE MET 93 3HE MET 93 29.066 -2.710 -2.636 775 2HE MET 93 1HE MET 93 30.835 -2.754 -2.459 776 3HE MET 93 2HE MET 93 29.805 -2.837 -1.014 777 H ASP 94 H ASP 94 24.345 0.789 0.750 778 HA ASP 94 HA ASP 94 25.392 3.484 1.349 779 1HB ASP 94 1HB ASP 94 25.640 3.247 -1.115 780 2HB ASP 94 2HB ASP 94 23.922 2.852 -1.250 781 H THR 95 H THR 95 24.021 1.963 3.036 782 HA THR 95 HA THR 95 21.199 1.806 2.789 783 HB THR 95 HB THR 95 21.733 1.527 5.468 784 HG1 THR 95 1HG THR 95 23.981 2.124 4.957 785 1HG2 THR 95 2HG2 THR 95 22.395 -0.461 3.243 786 2HG2 THR 95 3HG2 THR 95 22.112 -0.866 4.951 787 3HG2 THR 95 1HG2 THR 95 20.790 -0.205 3.972 788 H TYR 96 H TYR 96 19.609 2.823 4.311 789 HA TYR 96 HA TYR 96 18.506 4.597 5.086 790 1HB TYR 96 1HB TYR 96 19.835 5.235 6.802 791 2HB TYR 96 2HB TYR 96 21.247 5.532 5.845 792 HD1 TYR 96 2HD TYR 96 18.130 7.100 7.057 793 HD2 TYR 96 1HD TYR 96 21.783 7.617 4.824 794 HE1 TYR 96 2HE TYR 96 17.831 9.536 7.146 795 HE2 TYR 96 1HE TYR 96 21.469 10.071 4.912 796 HH TYR 96 HH TYR 96 18.742 11.585 6.653 797 H LYS 97 H LYS 97 18.137 7.023 4.329 798 HA LYS 97 HA LYS 97 17.960 8.605 2.771 799 1HB LYS 97 1HB LYS 97 20.457 8.159 2.653 800 2HB LYS 97 2HB LYS 97 20.134 7.260 1.162 801 1HG LYS 97 1HG LYS 97 19.393 9.218 0.052 802 2HG LYS 97 2HG LYS 97 19.392 10.182 1.551 803 1HD LYS 97 1HD LYS 97 21.697 10.264 1.733 804 2HD LYS 97 2HD LYS 97 21.962 8.785 0.830 805 1HE LYS 97 1HE LYS 97 21.119 11.444 -0.416 806 2HE LYS 97 2HE LYS 97 22.762 10.786 -0.357 807 1HZ LYS 97 1HZ LYS 97 21.780 8.825 -1.602 808 2HZ LYS 97 2HZ LYS 97 20.479 9.792 -1.907 809 3HZ LYS 97 3HZ LYS 97 21.976 10.261 -2.403 810 H LEU 98 H LEU 98 17.918 5.309 1.598 811 HA LEU 98 HA LEU 98 16.909 4.264 -0.046 812 1HB LEU 98 1HB LEU 98 15.185 4.821 1.904 813 2HB LEU 98 2HB LEU 98 14.320 5.593 0.591 814 HG LEU 98 HG LEU 98 13.492 3.350 0.697 815 1HD1 LEU 98 2HD1 LEU 98 13.934 4.018 -1.581 816 2HD1 LEU 98 3HD1 LEU 98 15.530 3.267 -1.531 817 3HD1 LEU 98 1HD1 LEU 98 14.075 2.274 -1.344 818 1HD2 LEU 98 3HD2 LEU 98 16.336 2.429 1.039 819 2HD2 LEU 98 1HD2 LEU 98 15.014 2.368 2.203 820 3HD2 LEU 98 2HD2 LEU 98 14.949 1.350 0.758 821 H ASN 99 H ASN 99 18.193 5.493 -1.570 822 HA ASN 99 HA ASN 99 17.131 7.822 -2.770 823 1HB ASN 99 2HB ASN 99 19.084 7.804 -4.195 824 2HB ASN 99 3HB ASN 99 19.499 7.539 -2.502 825 1HD2 ASN 99 2HD2 ASN 99 21.518 5.275 -4.741 826 2HD2 ASN 99 1HD2 ASN 99 21.114 6.976 -4.840 No H/Q in entry = 826 Start of MODEL 7 1 1H MET 0 2H MET 0 -11.654 17.279 -22.079 2 2H MET 0 3H MET 0 -10.076 17.283 -21.640 3 3H MET 0 1H MET 0 -11.059 16.037 -21.164 4 HA MET 0 HA MET 0 -10.724 17.498 -19.317 5 1HB MET 0 2HB MET 0 -10.209 19.464 -20.878 6 2HB MET 0 3HB MET 0 -11.950 19.647 -21.081 7 1HG MET 0 2HG MET 0 -11.290 21.207 -19.409 8 2HG MET 0 3HG MET 0 -12.136 19.914 -18.569 9 1HE MET 0 3HE MET 0 -8.806 21.623 -19.393 10 2HE MET 0 1HE MET 0 -7.622 20.778 -18.379 11 3HE MET 0 2HE MET 0 -8.289 19.978 -19.816 12 H ALA 1 H ALA 1 -12.321 16.807 -17.961 13 HA ALA 1 HA ALA 1 -14.940 17.889 -18.106 14 1HB ALA 1 3HB ALA 1 -14.760 14.899 -18.630 15 2HB ALA 1 1HB ALA 1 -16.232 15.776 -18.170 16 3HB ALA 1 2HB ALA 1 -15.453 16.138 -19.708 17 H ARG 2 H ARG 2 -14.030 18.577 -16.050 18 HA ARG 2 HA ARG 2 -13.274 18.380 -13.921 19 1HB ARG 2 1HB ARG 2 -14.895 17.724 -12.370 20 2HB ARG 2 2HB ARG 2 -15.641 18.615 -13.682 21 1HG ARG 2 1HG ARG 2 -15.789 15.574 -13.579 22 2HG ARG 2 2HG ARG 2 -16.837 16.601 -12.614 23 1HD ARG 2 1HD ARG 2 -17.745 17.689 -14.563 24 2HD ARG 2 2HD ARG 2 -16.685 16.832 -15.652 25 HE ARG 2 HE ARG 2 -19.087 15.835 -14.355 26 1HH1 ARG 2 2HH2 ARG 2 -15.950 14.695 -15.744 27 2HH1 ARG 2 1HH2 ARG 2 -16.692 13.189 -16.252 28 1HH2 ARG 2 2HH1 ARG 2 -19.810 13.750 -14.838 29 2HH2 ARG 2 1HH1 ARG 2 -18.820 12.690 -15.849 30 H ILE 3 H ILE 3 -11.412 17.220 -14.622 31 HA ILE 3 HA ILE 3 -11.206 14.383 -14.626 32 HB ILE 3 HB ILE 3 -8.789 14.820 -14.617 33 1HG1 ILE 3 1HG1 ILE 3 -9.604 17.718 -14.025 34 2HG1 ILE 3 2HG1 ILE 3 -8.622 16.654 -13.015 35 1HG2 ILE 3 2HG2 ILE 3 -10.212 15.042 -16.681 36 2HG2 ILE 3 3HG2 ILE 3 -10.216 16.804 -16.436 37 3HG2 ILE 3 1HG2 ILE 3 -8.696 15.938 -16.741 38 1HD1 ILE 3 2HD1 ILE 3 -7.791 17.760 -15.720 39 2HD1 ILE 3 3HD1 ILE 3 -7.334 18.342 -14.116 40 3HD1 ILE 3 1HD1 ILE 3 -6.813 16.734 -14.630 41 H ASP 4 H ASP 4 -10.388 12.908 -13.068 42 HA ASP 4 HA ASP 4 -10.899 13.387 -10.310 43 1HB ASP 4 1HB ASP 4 -9.117 11.351 -11.688 44 2HB ASP 4 2HB ASP 4 -9.440 11.368 -9.954 45 HA PRO 5 HA PRO 5 -6.991 15.701 -9.961 46 1HB PRO 5 1HB PRO 5 -7.298 16.835 -7.507 47 2HB PRO 5 2HB PRO 5 -8.188 17.378 -8.955 48 1HG PRO 5 1HG PRO 5 -9.167 15.603 -6.735 49 2HG PRO 5 2HG PRO 5 -10.028 16.936 -7.544 50 1HD PRO 5 1HD PRO 5 -10.376 14.262 -8.199 51 2HD PRO 5 2HD PRO 5 -10.625 15.609 -9.337 52 H THR 6 H THR 6 -8.168 13.846 -7.147 53 HA THR 6 HA THR 6 -5.533 13.222 -6.128 54 HB THR 6 HB THR 6 -6.965 11.589 -4.713 55 HG1 THR 6 1HG THR 6 -9.184 13.097 -5.358 56 1HG2 THR 6 2HG2 THR 6 -7.559 14.588 -4.740 57 2HG2 THR 6 3HG2 THR 6 -7.959 13.465 -3.421 58 3HG2 THR 6 1HG2 THR 6 -6.267 13.753 -3.857 59 H LYS 7 H LYS 7 -8.031 11.448 -7.861 60 HA LYS 7 HA LYS 7 -8.156 9.615 -9.078 61 1HB LYS 7 1HB LYS 7 -6.295 9.102 -10.657 62 2HB LYS 7 2HB LYS 7 -7.011 10.711 -10.727 63 1HG LYS 7 1HG LYS 7 -5.061 11.685 -9.559 64 2HG LYS 7 2HG LYS 7 -4.345 10.064 -9.421 65 1HD LYS 7 1HD LYS 7 -3.253 10.964 -11.212 66 2HD LYS 7 2HD LYS 7 -4.501 9.984 -11.990 67 1HE LYS 7 1HE LYS 7 -5.876 12.027 -12.385 68 2HE LYS 7 2HE LYS 7 -4.715 13.002 -11.479 69 1HZ LYS 7 1HZ LYS 7 -3.040 12.374 -13.108 70 2HZ LYS 7 2HZ LYS 7 -4.240 11.617 -14.015 71 3HZ LYS 7 3HZ LYS 7 -4.246 13.259 -13.753 72 H LYS 8 H LYS 8 -4.914 9.231 -7.636 73 HA LYS 8 HA LYS 8 -5.295 6.342 -7.274 74 1HB LYS 8 1HB LYS 8 -3.166 6.644 -5.871 75 2HB LYS 8 2HB LYS 8 -3.076 6.826 -7.621 76 1HG LYS 8 1HG LYS 8 -2.962 9.247 -7.445 77 2HG LYS 8 2HG LYS 8 -3.218 9.181 -5.685 78 1HD LYS 8 1HD LYS 8 -1.066 8.049 -5.382 79 2HD LYS 8 2HD LYS 8 -0.941 7.726 -7.111 80 1HE LYS 8 1HE LYS 8 0.586 9.495 -6.594 81 2HE LYS 8 2HE LYS 8 -0.706 10.144 -7.607 82 1HZ LYS 8 1HZ LYS 8 -0.509 10.464 -4.664 83 2HZ LYS 8 2HZ LYS 8 -0.117 11.583 -5.825 84 3HZ LYS 8 3HZ LYS 8 -1.667 11.159 -5.610 85 H GLY 9 H GLY 9 -5.890 5.311 -5.376 86 1HA GLY 9 1HA GLY 9 -7.317 7.031 -3.400 87 2HA GLY 9 2HA GLY 9 -7.617 5.333 -3.778 88 H ARG 10 H ARG 10 -5.554 3.927 -3.485 89 HA ARG 10 HA ARG 10 -4.621 2.725 -1.788 90 1HB ARG 10 1HB ARG 10 -2.886 5.212 -1.739 91 2HB ARG 10 2HB ARG 10 -2.529 3.690 -0.940 92 1HG ARG 10 1HG ARG 10 -1.427 3.265 -2.868 93 2HG ARG 10 2HG ARG 10 -2.994 2.596 -3.292 94 1HD ARG 10 1HD ARG 10 -3.321 5.236 -4.044 95 2HD ARG 10 2HD ARG 10 -1.604 5.046 -4.339 96 HE ARG 10 HE ARG 10 -3.900 3.751 -5.677 97 1HH1 ARG 10 2HH2 ARG 10 -0.391 3.469 -5.065 98 2HH1 ARG 10 1HH2 ARG 10 -0.125 2.465 -6.455 99 1HH2 ARG 10 2HH1 ARG 10 -3.458 2.580 -7.655 100 2HH2 ARG 10 1HH1 ARG 10 -1.806 2.378 -8.158 101 H ARG 11 H ARG 11 -6.350 2.598 -0.480 102 HA ARG 11 HA ARG 11 -7.163 4.195 1.585 103 1HB ARG 11 1HB ARG 11 -8.189 2.112 0.623 104 2HB ARG 11 2HB ARG 11 -7.048 1.143 1.573 105 1HG ARG 11 1HG ARG 11 -8.094 1.864 3.633 106 2HG ARG 11 2HG ARG 11 -8.908 3.186 2.795 107 1HD ARG 11 1HD ARG 11 -10.494 1.373 3.276 108 2HD ARG 11 2HD ARG 11 -10.312 1.696 1.552 109 HE ARG 11 HE ARG 11 -8.578 -0.490 2.297 110 1HH1 ARG 11 2HH2 ARG 11 -11.886 0.242 1.353 111 2HH1 ARG 11 1HH2 ARG 11 -12.570 -1.185 2.111 112 1HH2 ARG 11 2HH1 ARG 11 -9.440 -2.802 2.499 113 2HH2 ARG 11 1HH1 ARG 11 -11.162 -2.876 2.707 114 H ASN 12 H ASN 12 -6.833 4.196 3.825 115 HA ASN 12 HA ASN 12 -4.123 3.372 4.799 116 1HB ASN 12 1HB ASN 12 -3.963 5.602 5.829 117 2HB ASN 12 2HB ASN 12 -4.024 5.654 4.060 118 1HD2 ASN 12 2HD2 ASN 12 -6.287 8.373 4.996 119 2HD2 ASN 12 1HD2 ASN 12 -4.593 8.027 4.742 120 H ARG 13 H ARG 13 -7.475 4.184 5.747 121 HA ARG 13 HA ARG 13 -7.382 3.360 8.425 122 1HB ARG 13 1HB ARG 13 -9.755 2.621 8.106 123 2HB ARG 13 2HB ARG 13 -9.380 4.256 7.564 124 1HG ARG 13 1HG ARG 13 -9.201 3.349 5.206 125 2HG ARG 13 2HG ARG 13 -9.862 1.816 5.798 126 1HD ARG 13 1HD ARG 13 -11.970 2.753 6.249 127 2HD ARG 13 2HD ARG 13 -11.382 4.401 6.337 128 HE ARG 13 HE ARG 13 -12.288 2.994 3.981 129 1HH1 ARG 13 2HH2 ARG 13 -10.206 5.659 5.065 130 2HH1 ARG 13 1HH2 ARG 13 -9.699 6.083 3.450 131 1HH2 ARG 13 2HH1 ARG 13 -12.087 3.965 1.897 132 2HH2 ARG 13 1HH1 ARG 13 -10.797 5.104 1.586 133 H PHE 14 H PHE 14 -7.679 1.412 5.512 134 HA PHE 14 HA PHE 14 -7.531 -1.209 6.637 135 1HB PHE 14 1HB PHE 14 -8.349 -0.888 4.425 136 2HB PHE 14 2HB PHE 14 -6.909 0.054 3.960 137 HD1 PHE 14 1HD PHE 14 -7.106 -3.403 5.490 138 HD2 PHE 14 2HD PHE 14 -6.317 -1.070 1.952 139 HE1 PHE 14 1HE PHE 14 -5.696 -5.203 4.626 140 HE2 PHE 14 2HE PHE 14 -5.305 -3.070 0.959 141 HZ PHE 14 HZ PHE 14 -4.588 -4.968 2.412 142 H LYS 15 H LYS 15 -5.715 -2.633 6.745 143 HA LYS 15 HA LYS 15 -3.131 -2.113 5.874 144 1HB LYS 15 1HB LYS 15 -2.093 -2.242 8.216 145 2HB LYS 15 2HB LYS 15 -2.825 -0.732 7.672 146 1HG LYS 15 1HG LYS 15 -4.972 -1.486 9.032 147 2HG LYS 15 2HG LYS 15 -3.947 -2.739 9.671 148 1HD LYS 15 1HD LYS 15 -4.101 -0.742 11.146 149 2HD LYS 15 2HD LYS 15 -2.443 -1.092 10.681 150 1HE LYS 15 1HE LYS 15 -3.232 1.384 10.662 151 2HE LYS 15 2HE LYS 15 -2.267 0.813 9.300 152 1HZ LYS 15 1HZ LYS 15 -5.232 0.985 9.212 153 2HZ LYS 15 2HZ LYS 15 -4.222 2.109 8.571 154 3HZ LYS 15 3HZ LYS 15 -4.240 0.627 7.980 155 H TRP 16 H TRP 16 -1.857 -4.100 6.319 156 HA TRP 16 HA TRP 16 -3.454 -6.404 5.845 157 1HB TRP 16 1HB TRP 16 -0.505 -5.991 6.498 158 2HB TRP 16 2HB TRP 16 -1.223 -7.546 6.081 159 HD1 TRP 16 HD TRP 16 -0.328 -4.214 4.393 160 HE1 TRP 16 1HE TRP 16 -0.366 -4.578 1.838 161 HE3 TRP 16 3HE TRP 16 -2.122 -8.969 4.272 162 HZ2 TRP 16 2HZ TRP 16 -1.160 -6.640 -0.005 163 HZ3 TRP 16 3HZ TRP 16 -2.481 -10.145 2.118 164 HH2 TRP 16 HH TRP 16 -1.973 -9.002 0.007 165 H GLY 17 H GLY 17 -3.628 -8.344 7.124 166 1HA GLY 17 1HA GLY 17 -3.717 -7.848 10.065 167 2HA GLY 17 2HA GLY 17 -4.870 -8.816 9.129 168 HA PRO 18 HA PRO 18 -1.105 -11.074 10.985 169 1HB PRO 18 1HB PRO 18 -2.431 -12.874 12.641 170 2HB PRO 18 2HB PRO 18 -1.846 -11.261 13.129 171 1HG PRO 18 1HG PRO 18 -4.631 -12.028 12.225 172 2HG PRO 18 2HG PRO 18 -4.169 -11.028 13.632 173 1HD PRO 18 1HD PRO 18 -4.962 -9.873 11.321 174 2HD PRO 18 2HD PRO 18 -3.583 -9.182 12.224 175 H ALA 19 H ALA 19 -4.105 -12.347 9.758 176 HA ALA 19 HA ALA 19 -2.901 -15.016 9.122 177 1HB ALA 19 2HB ALA 19 -5.150 -15.009 10.217 178 2HB ALA 19 3HB ALA 19 -5.788 -14.007 8.893 179 3HB ALA 19 1HB ALA 19 -5.225 -15.658 8.568 180 H SER 20 H SER 20 -3.304 -11.905 7.848 181 HA SER 20 HA SER 20 -3.523 -12.680 5.053 182 1HB SER 20 1HB SER 20 -2.727 -10.011 6.169 183 2HB SER 20 2HB SER 20 -3.771 -10.402 4.768 184 HG SER 20 HG SER 20 -5.387 -10.981 6.221 185 H GLN 21 H GLN 21 -1.112 -11.612 7.499 186 HA GLN 21 HA GLN 21 1.050 -11.097 5.807 187 1HB GLN 21 1HB GLN 21 1.327 -12.493 8.505 188 2HB GLN 21 2HB GLN 21 2.548 -11.546 7.664 189 1HG GLN 21 1HG GLN 21 0.065 -10.591 9.066 190 2HG GLN 21 2HG GLN 21 1.731 -10.249 9.483 191 1HE2 GLN 21 2HE2 GLN 21 1.879 -8.049 6.378 192 2HE2 GLN 21 1HE2 GLN 21 2.620 -9.600 6.744 193 H GLN 22 H GLN 22 0.044 -14.268 7.138 194 HA GLN 22 HA GLN 22 2.326 -15.726 6.469 195 1HB GLN 22 1HB GLN 22 0.983 -17.699 6.679 196 2HB GLN 22 2HB GLN 22 0.475 -16.509 7.886 197 1HG GLN 22 1HG GLN 22 -1.407 -15.875 6.375 198 2HG GLN 22 2HG GLN 22 -0.981 -17.231 5.316 199 1HE2 GLN 22 2HE2 GLN 22 -2.180 -19.741 7.548 200 2HE2 GLN 22 1HE2 GLN 22 -1.114 -19.431 6.188 201 H ILE 23 H ILE 23 -0.472 -14.875 4.405 202 HA ILE 23 HA ILE 23 0.587 -16.385 2.209 203 HB ILE 23 HB ILE 23 -1.685 -14.392 2.331 204 1HG1 ILE 23 1HG1 ILE 23 -2.543 -17.046 1.688 205 2HG1 ILE 23 2HG1 ILE 23 -1.345 -17.256 2.968 206 1HG2 ILE 23 3HG2 ILE 23 -0.718 -14.562 -0.007 207 2HG2 ILE 23 1HG2 ILE 23 -1.030 -16.299 0.047 208 3HG2 ILE 23 2HG2 ILE 23 -2.360 -15.125 0.164 209 1HD1 ILE 23 1HD1 ILE 23 -2.548 -15.572 4.316 210 2HD1 ILE 23 2HD1 ILE 23 -3.818 -15.542 3.059 211 3HD1 ILE 23 3HD1 ILE 23 -3.480 -17.050 3.956 212 H LEU 24 H LEU 24 1.126 -13.080 3.346 213 HA LEU 24 HA LEU 24 2.093 -12.111 0.806 214 1HB LEU 24 1HB LEU 24 2.867 -11.317 3.662 215 2HB LEU 24 2HB LEU 24 3.585 -10.616 2.224 216 HG LEU 24 HG LEU 24 0.649 -10.431 3.005 217 1HD1 LEU 24 1HD1 LEU 24 2.267 -8.879 4.158 218 2HD1 LEU 24 2HD1 LEU 24 2.818 -8.315 2.562 219 3HD1 LEU 24 3HD1 LEU 24 1.154 -8.014 3.082 220 1HD2 LEU 24 1HD2 LEU 24 2.123 -9.904 0.455 221 2HD2 LEU 24 2HD2 LEU 24 0.464 -10.468 0.680 222 3HD2 LEU 24 3HD2 LEU 24 0.869 -8.752 0.899 223 H PHE 25 H PHE 25 3.731 -13.809 3.505 224 HA PHE 25 HA PHE 25 6.215 -14.122 2.125 225 1HB PHE 25 1HB PHE 25 4.974 -16.028 4.139 226 2HB PHE 25 2HB PHE 25 6.653 -15.937 3.658 227 HD1 PHE 25 1HD PHE 25 7.947 -13.742 4.139 228 HD2 PHE 25 2HD PHE 25 4.169 -14.693 5.941 229 HE1 PHE 25 1HE PHE 25 8.375 -12.068 5.923 230 HE2 PHE 25 2HE PHE 25 4.590 -13.039 7.736 231 HZ PHE 25 HZ PHE 25 6.695 -11.707 7.726 232 H GLN 26 H GLN 26 3.513 -16.503 2.481 233 HA GLN 26 HA GLN 26 4.721 -18.386 0.864 234 1HB GLN 26 1HB GLN 26 2.868 -19.675 1.224 235 2HB GLN 26 2HB GLN 26 2.523 -18.381 2.359 236 1HG GLN 26 1HG GLN 26 1.087 -17.360 0.422 237 2HG GLN 26 2HG GLN 26 1.320 -18.945 -0.314 238 1HE2 GLN 26 2HE2 GLN 26 -1.745 -19.726 1.368 239 2HE2 GLN 26 1HE2 GLN 26 -1.182 -19.127 -0.164 240 H ALA 27 H ALA 27 2.993 -15.539 -0.185 241 HA ALA 27 HA ALA 27 2.786 -16.305 -3.006 242 1HB ALA 27 1HB ALA 27 1.207 -14.751 -1.907 243 2HB ALA 27 2HB ALA 27 2.543 -13.599 -1.671 244 3HB ALA 27 3HB ALA 27 2.016 -14.045 -3.317 245 H TYR 28 H TYR 28 4.924 -14.194 -1.010 246 HA TYR 28 HA TYR 28 6.626 -13.244 -3.055 247 1HB TYR 28 1HB TYR 28 6.511 -12.629 -0.519 248 2HB TYR 28 2HB TYR 28 7.526 -14.026 -0.252 249 HD1 TYR 28 2HD TYR 28 7.297 -10.786 -2.105 250 HD2 TYR 28 1HD TYR 28 9.905 -13.818 -0.508 251 HE1 TYR 28 2HE TYR 28 9.257 -9.497 -2.880 252 HE2 TYR 28 1HE TYR 28 11.869 -12.479 -1.177 253 HH TYR 28 HH TYR 28 12.576 -10.561 -2.425 254 H GLU 29 H GLU 29 6.844 -16.222 -1.121 255 HA GLU 29 HA GLU 29 9.033 -17.458 -2.303 256 1HB GLU 29 1HB GLU 29 6.315 -18.366 -1.275 257 2HB GLU 29 2HB GLU 29 7.262 -19.528 -2.215 258 1HG GLU 29 1HG GLU 29 7.690 -19.959 -0.142 259 2HG GLU 29 2HG GLU 29 9.148 -19.165 -0.752 260 H ARG 30 H ARG 30 5.654 -17.835 -3.291 261 HA ARG 30 HA ARG 30 6.539 -19.634 -5.095 262 1HB ARG 30 1HB ARG 30 3.826 -18.295 -4.824 263 2HB ARG 30 2HB ARG 30 4.065 -19.553 -6.038 264 1HG ARG 30 1HG ARG 30 4.594 -21.236 -4.434 265 2HG ARG 30 2HG ARG 30 4.679 -20.073 -3.108 266 1HD ARG 30 1HD ARG 30 2.166 -20.728 -4.731 267 2HD ARG 30 2HD ARG 30 2.531 -21.315 -3.089 268 HE ARG 30 HE ARG 30 2.811 -18.621 -2.844 269 1HH1 ARG 30 2HH2 ARG 30 0.106 -20.786 -3.599 270 2HH1 ARG 30 1HH2 ARG 30 -1.060 -19.679 -2.900 271 1HH2 ARG 30 2HH1 ARG 30 1.174 -17.103 -2.190 272 2HH2 ARG 30 1HH1 ARG 30 -0.498 -17.526 -2.394 273 H GLN 31 H GLN 31 5.465 -16.231 -5.504 274 HA GLN 31 HA GLN 31 6.400 -16.081 -8.258 275 1HB GLN 31 1HB GLN 31 3.670 -16.427 -7.812 276 2HB GLN 31 2HB GLN 31 3.809 -14.675 -7.902 277 1HG GLN 31 1HG GLN 31 4.802 -14.841 -10.129 278 2HG GLN 31 2HG GLN 31 5.058 -16.578 -9.938 279 1HE2 GLN 31 2HE2 GLN 31 1.062 -15.886 -10.445 280 2HE2 GLN 31 1HE2 GLN 31 1.877 -15.000 -9.173 281 H LYS 32 H LYS 32 6.780 -13.628 -8.758 282 HA LYS 32 HA LYS 32 7.890 -12.559 -6.212 283 1HB LYS 32 1HB LYS 32 9.371 -13.794 -8.568 284 2HB LYS 32 2HB LYS 32 10.217 -12.612 -7.611 285 1HG LYS 32 1HG LYS 32 8.864 -14.750 -5.999 286 2HG LYS 32 2HG LYS 32 10.085 -15.332 -7.102 287 1HD LYS 32 1HD LYS 32 10.989 -14.905 -4.923 288 2HD LYS 32 2HD LYS 32 11.804 -13.904 -6.121 289 1HE LYS 32 1HE LYS 32 9.564 -12.951 -4.228 290 2HE LYS 32 2HE LYS 32 11.295 -12.871 -3.890 291 1HZ LYS 32 1HZ LYS 32 11.485 -11.433 -5.888 292 2HZ LYS 32 2HZ LYS 32 9.844 -11.320 -5.941 293 3HZ LYS 32 3HZ LYS 32 10.677 -10.793 -4.625 294 H ASN 33 H ASN 33 6.754 -11.633 -9.301 295 HA ASN 33 HA ASN 33 7.566 -8.881 -8.792 296 1HB ASN 33 1HB ASN 33 8.272 -10.389 -11.305 297 2HB ASN 33 2HB ASN 33 7.592 -8.772 -11.500 298 1HD2 ASN 33 2HD2 ASN 33 11.011 -8.849 -9.196 299 2HD2 ASN 33 1HD2 ASN 33 9.703 -9.948 -8.866 300 HA PRO 34 HA PRO 34 3.301 -9.410 -8.900 301 1HB PRO 34 1HB PRO 34 2.308 -6.894 -8.481 302 2HB PRO 34 2HB PRO 34 3.330 -7.790 -7.337 303 1HG PRO 34 1HG PRO 34 4.266 -5.736 -9.351 304 2HG PRO 34 2HG PRO 34 4.572 -5.736 -7.593 305 1HD PRO 34 1HD PRO 34 6.383 -6.789 -9.327 306 2HD PRO 34 2HD PRO 34 6.051 -7.609 -7.774 307 H SER 35 H SER 35 3.661 -10.054 -11.312 308 HA SER 35 HA SER 35 3.097 -8.287 -13.387 309 1HB SER 35 1HB SER 35 2.738 -11.318 -13.406 310 2HB SER 35 2HB SER 35 2.927 -10.250 -14.797 311 HG SER 35 HG SER 35 4.786 -10.938 -12.756 312 H LYS 36 H LYS 36 0.858 -10.978 -12.515 313 HA LYS 36 HA LYS 36 -1.507 -9.196 -12.672 314 1HB LYS 36 1HB LYS 36 -0.712 -11.363 -14.644 315 2HB LYS 36 2HB LYS 36 -2.407 -11.127 -14.274 316 1HG LYS 36 1HG LYS 36 -2.585 -9.095 -15.297 317 2HG LYS 36 2HG LYS 36 -0.912 -8.633 -15.038 318 1HD LYS 36 1HD LYS 36 -1.760 -10.802 -16.999 319 2HD LYS 36 2HD LYS 36 -1.540 -9.093 -17.437 320 1HE LYS 36 1HE LYS 36 0.825 -9.190 -16.574 321 2HE LYS 36 2HE LYS 36 0.630 -10.911 -16.249 322 1HZ LYS 36 2HZ LYS 36 0.195 -11.213 -18.637 323 2HZ LYS 36 3HZ LYS 36 0.693 -9.650 -18.901 324 3HZ LYS 36 1HZ LYS 36 1.698 -10.724 -18.211 325 H GLU 37 H GLU 37 -0.873 -12.649 -13.175 326 HA GLU 37 HA GLU 37 -2.744 -13.769 -11.594 327 1HB GLU 37 1HB GLU 37 -0.093 -14.417 -12.954 328 2HB GLU 37 2HB GLU 37 -0.439 -15.351 -11.540 329 1HG GLU 37 1HG GLU 37 -1.292 -16.701 -13.166 330 2HG GLU 37 2HG GLU 37 -2.754 -15.875 -12.593 331 H GLU 38 H GLU 38 0.604 -12.881 -10.927 332 HA GLU 38 HA GLU 38 0.594 -13.155 -8.045 333 1HB GLU 38 1HB GLU 38 2.749 -13.321 -9.503 334 2HB GLU 38 2HB GLU 38 2.531 -11.633 -9.890 335 1HG GLU 38 1HG GLU 38 2.696 -11.111 -7.436 336 2HG GLU 38 2HG GLU 38 2.988 -12.811 -7.100 337 H ARG 39 H ARG 39 -1.345 -12.095 -8.257 338 HA ARG 39 HA ARG 39 -1.254 -10.165 -6.393 339 1HB ARG 39 1HB ARG 39 -1.604 -8.958 -9.177 340 2HB ARG 39 2HB ARG 39 -2.719 -8.365 -7.950 341 1HG ARG 39 1HG ARG 39 -0.987 -7.624 -6.528 342 2HG ARG 39 2HG ARG 39 0.302 -8.266 -7.540 343 1HD ARG 39 1HD ARG 39 -1.625 -5.989 -8.044 344 2HD ARG 39 2HD ARG 39 0.120 -5.897 -7.866 345 HE ARG 39 HE ARG 39 0.418 -7.121 -9.992 346 1HH1 ARG 39 2HH2 ARG 39 -2.717 -5.376 -9.473 347 2HH1 ARG 39 1HH2 ARG 39 -2.812 -4.912 -11.123 348 1HH2 ARG 39 2HH1 ARG 39 0.030 -6.725 -12.201 349 2HH2 ARG 39 1HH1 ARG 39 -1.485 -6.052 -12.678 350 H GLU 40 H GLU 40 -3.203 -11.037 -9.209 351 HA GLU 40 HA GLU 40 -5.701 -10.846 -7.930 352 1HB GLU 40 1HB GLU 40 -4.590 -11.758 -10.432 353 2HB GLU 40 2HB GLU 40 -5.863 -12.873 -9.937 354 1HG GLU 40 1HG GLU 40 -7.498 -11.139 -9.699 355 2HG GLU 40 2HG GLU 40 -6.260 -9.868 -9.769 356 H THR 41 H THR 41 -3.488 -13.585 -8.306 357 HA THR 41 HA THR 41 -4.537 -15.632 -6.800 358 HB THR 41 HB THR 41 -1.828 -14.407 -7.110 359 HG1 THR 41 1HG THR 41 -3.061 -16.779 -8.035 360 1HG2 THR 41 2HG2 THR 41 -2.317 -16.829 -5.421 361 2HG2 THR 41 3HG2 THR 41 -0.756 -16.404 -6.188 362 3HG2 THR 41 1HG2 THR 41 -1.469 -15.330 -4.996 363 H LEU 42 H LEU 42 -2.629 -12.877 -5.563 364 HA LEU 42 HA LEU 42 -2.657 -13.971 -2.930 365 1HB LEU 42 1HB LEU 42 -1.107 -12.141 -4.241 366 2HB LEU 42 2HB LEU 42 -2.086 -11.052 -3.244 367 HG LEU 42 HG LEU 42 -0.539 -13.462 -2.231 368 1HD1 LEU 42 1HD1 LEU 42 0.959 -11.708 -3.144 369 2HD1 LEU 42 2HD1 LEU 42 0.218 -10.522 -2.036 370 3HD1 LEU 42 3HD1 LEU 42 1.143 -11.875 -1.390 371 1HD2 LEU 42 2HD2 LEU 42 -1.841 -11.146 -0.766 372 2HD2 LEU 42 3HD2 LEU 42 -2.282 -12.868 -0.661 373 3HD2 LEU 42 1HD2 LEU 42 -0.732 -12.310 -0.013 374 H VAL 43 H VAL 43 -4.553 -11.431 -4.555 375 HA VAL 43 HA VAL 43 -5.927 -10.632 -2.162 376 HB VAL 43 HB VAL 43 -6.944 -10.369 -5.017 377 1HG1 VAL 43 2HG1 VAL 43 -7.647 -9.054 -2.350 378 2HG1 VAL 43 3HG1 VAL 43 -8.208 -8.432 -3.910 379 3HG1 VAL 43 1HG1 VAL 43 -8.725 -10.031 -3.365 380 1HG2 VAL 43 2HG2 VAL 43 -5.332 -8.489 -3.224 381 2HG2 VAL 43 3HG2 VAL 43 -4.784 -9.198 -4.766 382 3HG2 VAL 43 1HG2 VAL 43 -6.145 -8.074 -4.743 383 H GLU 44 H GLU 44 -6.745 -13.097 -4.695 384 HA GLU 44 HA GLU 44 -9.262 -13.870 -3.548 385 1HB GLU 44 1HB GLU 44 -8.740 -14.678 -5.735 386 2HB GLU 44 2HB GLU 44 -7.085 -15.089 -5.262 387 1HG GLU 44 1HG GLU 44 -8.268 -17.061 -5.829 388 2HG GLU 44 2HG GLU 44 -7.790 -17.102 -4.139 389 H GLU 45 H GLU 45 -6.055 -15.405 -3.146 390 HA GLU 45 HA GLU 45 -6.561 -17.252 -1.171 391 1HB GLU 45 1HB GLU 45 -4.282 -15.797 -2.176 392 2HB GLU 45 2HB GLU 45 -4.125 -16.090 -0.451 393 1HG GLU 45 1HG GLU 45 -4.343 -18.467 -0.719 394 2HG GLU 45 2HG GLU 45 -4.686 -18.277 -2.451 395 H CYS 46 H CYS 46 -5.736 -13.834 -0.749 396 HA CYS 46 HA CYS 46 -5.749 -13.852 2.117 397 1HB CYS 46 1HB CYS 46 -4.619 -12.062 0.764 398 2HB CYS 46 2HB CYS 46 -6.204 -11.422 0.312 399 HG CYS 46 HG CYS 46 -7.110 -10.912 2.609 400 H ASN 47 H ASN 47 -8.097 -12.545 -0.184 401 HA ASN 47 HA ASN 47 -10.148 -11.662 1.539 402 1HB ASN 47 1HB ASN 47 -10.073 -12.672 -1.323 403 2HB ASN 47 2HB ASN 47 -11.567 -12.206 -0.616 404 1HD2 ASN 47 2HD2 ASN 47 -9.196 -8.882 -0.457 405 2HD2 ASN 47 1HD2 ASN 47 -9.031 -10.161 0.730 406 H ARG 48 H ARG 48 -9.604 -14.855 0.080 407 HA ARG 48 HA ARG 48 -11.899 -16.125 1.149 408 1HB ARG 48 1HB ARG 48 -10.274 -16.906 -0.629 409 2HB ARG 48 2HB ARG 48 -9.164 -17.388 0.654 410 1HG ARG 48 1HG ARG 48 -10.854 -18.922 1.572 411 2HG ARG 48 2HG ARG 48 -12.039 -18.388 0.367 412 1HD ARG 48 1HD ARG 48 -9.376 -19.739 -0.275 413 2HD ARG 48 2HD ARG 48 -10.967 -20.544 -0.201 414 HE ARG 48 HE ARG 48 -10.620 -18.218 -2.077 415 1HH1 ARG 48 2HH2 ARG 48 -10.324 -21.679 -1.815 416 2HH1 ARG 48 1HH2 ARG 48 -10.794 -22.011 -3.458 417 1HH2 ARG 48 2HH1 ARG 48 -11.244 -18.560 -4.213 418 2HH2 ARG 48 1HH1 ARG 48 -11.303 -20.127 -4.901 419 H ALA 49 H ALA 49 -8.511 -15.919 2.416 420 HA ALA 49 HA ALA 49 -9.083 -17.132 4.919 421 1HB ALA 49 2HB ALA 49 -6.782 -16.738 4.052 422 2HB ALA 49 3HB ALA 49 -6.975 -15.002 4.372 423 3HB ALA 49 1HB ALA 49 -7.011 -16.155 5.713 424 H GLU 50 H GLU 50 -9.567 -13.779 3.877 425 HA GLU 50 HA GLU 50 -10.022 -12.735 6.524 426 1HB GLU 50 1HB GLU 50 -10.745 -11.806 3.753 427 2HB GLU 50 2HB GLU 50 -11.105 -10.896 5.239 428 1HG GLU 50 1HG GLU 50 -8.769 -10.548 5.689 429 2HG GLU 50 2HG GLU 50 -8.295 -11.660 4.404 430 H CYS 51 H CYS 51 -12.124 -14.014 3.909 431 HA CYS 51 HA CYS 51 -14.567 -13.638 5.336 432 1HB CYS 51 1HB CYS 51 -15.619 -14.553 3.590 433 2HB CYS 51 2HB CYS 51 -14.055 -14.358 2.786 434 HG CYS 51 HG CYS 51 -15.496 -16.963 4.214 435 H ILE 52 H ILE 52 -12.173 -16.305 5.355 436 HA ILE 52 HA ILE 52 -13.873 -18.172 6.682 437 HB ILE 52 HB ILE 52 -10.868 -17.955 6.324 438 1HG1 ILE 52 1HG1 ILE 52 -12.905 -19.989 5.304 439 2HG1 ILE 52 2HG1 ILE 52 -12.481 -18.537 4.411 440 1HG2 ILE 52 3HG2 ILE 52 -12.378 -20.192 7.743 441 2HG2 ILE 52 1HG2 ILE 52 -10.677 -20.268 7.239 442 3HG2 ILE 52 2HG2 ILE 52 -11.160 -19.117 8.467 443 1HD1 ILE 52 1HD1 ILE 52 -10.101 -19.266 4.331 444 2HD1 ILE 52 2HD1 ILE 52 -10.566 -20.799 5.106 445 3HD1 ILE 52 3HD1 ILE 52 -11.221 -20.378 3.522 446 H GLN 53 H GLN 53 -11.868 -15.550 7.809 447 HA GLN 53 HA GLN 53 -11.729 -16.060 10.585 448 1HB GLN 53 1HB GLN 53 -12.516 -13.378 9.349 449 2HB GLN 53 2HB GLN 53 -11.980 -13.642 11.000 450 1HG GLN 53 1HG GLN 53 -9.778 -14.448 10.204 451 2HG GLN 53 2HG GLN 53 -10.304 -14.202 8.532 452 1HE2 GLN 53 2HE2 GLN 53 -8.674 -11.070 8.776 453 2HE2 GLN 53 1HE2 GLN 53 -8.574 -12.706 8.153 454 H ARG 54 H ARG 54 -14.597 -15.037 8.681 455 HA ARG 54 HA ARG 54 -16.333 -15.393 11.063 456 1HB ARG 54 1HB ARG 54 -16.124 -12.892 9.319 457 2HB ARG 54 2HB ARG 54 -17.284 -13.210 10.610 458 1HG ARG 54 1HG ARG 54 -15.199 -13.536 12.148 459 2HG ARG 54 2HG ARG 54 -14.258 -12.820 10.836 460 1HD ARG 54 1HD ARG 54 -14.835 -11.132 12.546 461 2HD ARG 54 2HD ARG 54 -15.473 -10.763 10.947 462 HE ARG 54 HE ARG 54 -17.590 -10.997 11.640 463 1HH1 ARG 54 2HH2 ARG 54 -15.537 -12.597 13.993 464 2HH1 ARG 54 1HH2 ARG 54 -16.782 -12.969 15.137 465 1HH2 ARG 54 2HH1 ARG 54 -19.337 -11.435 13.144 466 2HH2 ARG 54 1HH1 ARG 54 -19.029 -12.285 14.619 467 H GLY 55 H GLY 55 -15.888 -16.867 8.482 468 1HA GLY 55 1HA GLY 55 -17.174 -17.988 6.982 469 2HA GLY 55 2HA GLY 55 -18.639 -17.349 7.734 470 H VAL 56 H VAL 56 -19.109 -15.028 7.238 471 HA VAL 56 HA VAL 56 -20.064 -13.742 5.633 472 HB VAL 56 HB VAL 56 -17.145 -13.702 4.899 473 1HG1 VAL 56 3HG1 VAL 56 -19.210 -12.076 3.365 474 2HG1 VAL 56 1HG1 VAL 56 -17.458 -11.839 3.353 475 3HG1 VAL 56 2HG1 VAL 56 -18.119 -13.327 2.703 476 1HG2 VAL 56 1HG2 VAL 56 -18.000 -12.517 6.890 477 2HG2 VAL 56 2HG2 VAL 56 -17.320 -11.413 5.678 478 3HG2 VAL 56 3HG2 VAL 56 -19.080 -11.566 5.839 479 H SER 57 H SER 57 -20.552 -13.531 3.153 480 HA SER 57 HA SER 57 -21.463 -16.136 2.244 481 1HB SER 57 1HB SER 57 -21.878 -13.357 1.609 482 2HB SER 57 2HB SER 57 -21.537 -14.261 0.131 483 HG SER 57 HG SER 57 -23.750 -14.236 0.671 484 HA PRO 58 HA PRO 58 -17.160 -16.677 0.850 485 1HB PRO 58 1HB PRO 58 -17.419 -18.898 -0.805 486 2HB PRO 58 2HB PRO 58 -17.336 -18.950 0.977 487 1HG PRO 58 1HG PRO 58 -19.817 -19.005 -0.754 488 2HG PRO 58 2HG PRO 58 -19.426 -20.045 0.645 489 1HD PRO 58 1HD PRO 58 -21.050 -17.896 0.904 490 2HD PRO 58 2HD PRO 58 -19.859 -18.274 2.186 491 H SER 59 H SER 59 -19.836 -16.790 -1.499 492 HA SER 59 HA SER 59 -18.408 -16.102 -3.862 493 1HB SER 59 1HB SER 59 -20.855 -15.250 -4.396 494 2HB SER 59 2HB SER 59 -20.543 -16.982 -4.166 495 HG SER 59 HG SER 59 -22.329 -16.313 -2.888 496 H GLN 60 H GLN 60 -19.268 -14.238 -1.065 497 HA GLN 60 HA GLN 60 -18.609 -11.674 -2.432 498 1HB GLN 60 1HB GLN 60 -20.463 -12.147 -0.060 499 2HB GLN 60 2HB GLN 60 -20.119 -10.590 -0.811 500 1HG GLN 60 1HG GLN 60 -21.231 -11.270 -2.885 501 2HG GLN 60 2HG GLN 60 -21.501 -12.902 -2.258 502 1HE2 GLN 60 2HE2 GLN 60 -24.197 -10.085 -1.325 503 2HE2 GLN 60 1HE2 GLN 60 -22.930 -9.798 -2.516 504 H ALA 61 H ALA 61 -16.752 -13.671 -1.261 505 HA ALA 61 HA ALA 61 -16.026 -13.017 1.350 506 1HB ALA 61 2HB ALA 61 -14.143 -13.604 -0.989 507 2HB ALA 61 3HB ALA 61 -13.665 -13.578 0.702 508 3HB ALA 61 1HB ALA 61 -14.819 -14.802 0.152 509 H GLN 62 H GLN 62 -15.565 -11.132 -1.533 510 HA GLN 62 HA GLN 62 -13.570 -9.428 -0.348 511 1HB GLN 62 1HB GLN 62 -13.295 -9.678 -2.577 512 2HB GLN 62 2HB GLN 62 -15.003 -9.597 -2.944 513 1HG GLN 62 1HG GLN 62 -13.594 -7.067 -2.116 514 2HG GLN 62 2HG GLN 62 -13.367 -7.742 -3.712 515 1HE2 GLN 62 2HE2 GLN 62 -17.069 -6.160 -2.859 516 2HE2 GLN 62 1HE2 GLN 62 -15.908 -6.443 -1.561 517 H GLY 63 H GLY 63 -16.800 -9.619 0.471 518 1HA GLY 63 1HA GLY 63 -17.575 -6.848 0.444 519 2HA GLY 63 2HA GLY 63 -18.325 -8.173 1.333 520 H LEU 64 H LEU 64 -14.950 -7.770 2.075 521 HA LEU 64 HA LEU 64 -15.631 -7.269 4.848 522 1HB LEU 64 1HB LEU 64 -12.956 -7.470 3.445 523 2HB LEU 64 2HB LEU 64 -13.209 -7.652 5.175 524 HG LEU 64 HG LEU 64 -14.794 -9.541 3.444 525 1HD1 LEU 64 2HD1 LEU 64 -11.761 -9.544 3.660 526 2HD1 LEU 64 3HD1 LEU 64 -12.732 -10.950 3.138 527 3HD1 LEU 64 1HD1 LEU 64 -12.701 -9.459 2.179 528 1HD2 LEU 64 3HD2 LEU 64 -13.108 -9.874 5.931 529 2HD2 LEU 64 1HD2 LEU 64 -14.875 -9.641 5.863 530 3HD2 LEU 64 2HD2 LEU 64 -14.143 -11.102 5.161 531 H GLY 65 H GLY 65 -16.357 -5.068 3.390 532 1HA GLY 65 1HA GLY 65 -15.401 -3.048 2.383 533 2HA GLY 65 2HA GLY 65 -16.137 -2.682 3.946 534 H SER 66 H SER 66 -14.705 -2.385 5.810 535 HA SER 66 HA SER 66 -12.697 -0.549 5.271 536 1HB SER 66 1HB SER 66 -13.933 -1.969 7.625 537 2HB SER 66 2HB SER 66 -12.298 -1.463 7.854 538 HG SER 66 HG SER 66 -13.876 0.183 8.367 539 H ASN 67 H ASN 67 -12.482 -4.030 5.991 540 HA ASN 67 HA ASN 67 -9.603 -3.871 6.643 541 1HB ASN 67 1HB ASN 67 -11.652 -6.126 6.714 542 2HB ASN 67 2HB ASN 67 -9.943 -6.309 7.108 543 1HD2 ASN 67 2HD2 ASN 67 -10.579 -5.416 10.453 544 2HD2 ASN 67 1HD2 ASN 67 -9.773 -6.482 9.314 545 H LEU 68 H LEU 68 -11.769 -5.093 4.144 546 HA LEU 68 HA LEU 68 -10.653 -6.943 2.781 547 1HB LEU 68 1HB LEU 68 -12.544 -5.854 1.918 548 2HB LEU 68 2HB LEU 68 -11.686 -4.347 1.609 549 HG LEU 68 HG LEU 68 -10.319 -5.626 -0.155 550 1HD1 LEU 68 2HD1 LEU 68 -12.578 -7.605 0.341 551 2HD1 LEU 68 3HD1 LEU 68 -11.426 -7.687 -1.008 552 3HD1 LEU 68 1HD1 LEU 68 -10.881 -7.905 0.665 553 1HD2 LEU 68 1HD2 LEU 68 -13.291 -5.229 -0.539 554 2HD2 LEU 68 2HD2 LEU 68 -12.027 -3.994 -0.693 555 3HD2 LEU 68 3HD2 LEU 68 -12.056 -5.357 -1.819 556 H VAL 69 H VAL 69 -8.736 -7.561 2.171 557 HA VAL 69 HA VAL 69 -6.593 -5.741 1.390 558 HB VAL 69 HB VAL 69 -6.909 -8.741 1.065 559 1HG1 VAL 69 2HG1 VAL 69 -5.434 -7.890 -0.726 560 2HG1 VAL 69 3HG1 VAL 69 -4.457 -7.032 0.491 561 3HG1 VAL 69 1HG1 VAL 69 -4.553 -8.811 0.485 562 1HG2 VAL 69 3HG2 VAL 69 -5.436 -6.914 3.017 563 2HG2 VAL 69 1HG2 VAL 69 -6.619 -8.169 3.386 564 3HG2 VAL 69 2HG2 VAL 69 -4.985 -8.586 2.828 565 H THR 70 H THR 70 -6.433 -4.699 -0.452 566 HA THR 70 HA THR 70 -8.109 -5.468 -2.794 567 HB THR 70 HB THR 70 -7.667 -3.124 -3.427 568 HG1 THR 70 1HG THR 70 -5.747 -2.983 -2.011 569 1HG2 THR 70 3HG2 THR 70 -9.732 -3.712 -2.192 570 2HG2 THR 70 1HG2 THR 70 -8.912 -3.393 -0.652 571 3HG2 THR 70 2HG2 THR 70 -9.188 -2.068 -1.802 572 H GLU 71 H GLU 71 -7.077 -5.418 -4.940 573 HA GLU 71 HA GLU 71 -4.525 -6.647 -4.910 574 1HB GLU 71 1HB GLU 71 -4.627 -6.784 -7.236 575 2HB GLU 71 2HB GLU 71 -6.247 -7.050 -6.626 576 1HG GLU 71 1HG GLU 71 -6.874 -5.629 -8.172 577 2HG GLU 71 2HG GLU 71 -6.382 -4.358 -7.047 578 H VAL 72 H VAL 72 -5.338 -3.277 -5.643 579 HA VAL 72 HA VAL 72 -2.812 -2.323 -6.204 580 HB VAL 72 HB VAL 72 -4.833 -0.951 -6.257 581 1HG1 VAL 72 1HG1 VAL 72 -5.961 -1.712 -4.189 582 2HG1 VAL 72 2HG1 VAL 72 -4.728 -0.898 -3.200 583 3HG1 VAL 72 3HG1 VAL 72 -5.812 0.047 -4.231 584 1HG2 VAL 72 2HG2 VAL 72 -2.576 0.137 -6.069 585 2HG2 VAL 72 3HG2 VAL 72 -3.922 1.125 -5.461 586 3HG2 VAL 72 1HG2 VAL 72 -2.842 0.311 -4.322 587 H ARG 73 H ARG 73 -3.895 -3.570 -3.082 588 HA ARG 73 HA ARG 73 -1.744 -2.264 -1.624 589 1HB ARG 73 1HB ARG 73 -4.080 -3.375 -0.763 590 2HB ARG 73 2HB ARG 73 -2.983 -4.708 -0.456 591 1HG ARG 73 1HG ARG 73 -2.851 -3.436 1.517 592 2HG ARG 73 2HG ARG 73 -1.381 -2.993 0.667 593 1HD ARG 73 1HD ARG 73 -3.859 -1.376 0.111 594 2HD ARG 73 2HD ARG 73 -3.172 -1.203 1.716 595 HE ARG 73 HE ARG 73 -1.030 -0.816 -0.047 596 1HH1 ARG 73 2HH2 ARG 73 -4.229 0.654 0.256 597 2HH1 ARG 73 1HH2 ARG 73 -3.622 2.104 1.004 598 1HH2 ARG 73 2HH1 ARG 73 -0.278 1.450 -0.259 599 2HH2 ARG 73 1HH1 ARG 73 -1.263 2.691 0.428 600 H VAL 74 H VAL 74 -2.451 -5.408 -3.120 601 HA VAL 74 HA VAL 74 -0.119 -6.728 -2.146 602 HB VAL 74 HB VAL 74 -1.850 -7.239 -4.605 603 1HG1 VAL 74 2HG1 VAL 74 0.432 -8.772 -3.287 604 2HG1 VAL 74 3HG1 VAL 74 -0.759 -9.573 -4.329 605 3HG1 VAL 74 1HG1 VAL 74 0.284 -8.308 -4.975 606 1HG2 VAL 74 3HG2 VAL 74 -2.960 -7.469 -2.304 607 2HG2 VAL 74 1HG2 VAL 74 -2.933 -8.910 -3.333 608 3HG2 VAL 74 2HG2 VAL 74 -1.761 -8.760 -2.027 609 H TYR 75 H TYR 75 -0.971 -4.994 -5.184 610 HA TYR 75 HA TYR 75 1.501 -4.858 -6.468 611 1HB TYR 75 1HB TYR 75 -0.817 -3.808 -7.165 612 2HB TYR 75 2HB TYR 75 -0.316 -2.427 -6.226 613 HD1 TYR 75 1HD TYR 75 2.150 -1.489 -6.726 614 HD2 TYR 75 2HD TYR 75 -0.358 -3.638 -9.497 615 HE1 TYR 75 1HE TYR 75 3.586 -0.775 -8.573 616 HE2 TYR 75 2HE TYR 75 1.015 -2.794 -11.376 617 HH TYR 75 HH TYR 75 2.817 -1.376 -12.004 618 H ASN 76 H ASN 76 0.243 -2.639 -3.938 619 HA ASN 76 HA ASN 76 2.545 -1.029 -3.778 620 1HB ASN 76 1HB ASN 76 0.337 -1.650 -1.811 621 2HB ASN 76 2HB ASN 76 1.788 -0.862 -1.220 622 1HD2 ASN 76 2HD2 ASN 76 -0.165 1.328 -4.119 623 2HD2 ASN 76 1HD2 ASN 76 -0.111 -0.411 -4.281 624 H TRP 77 H TRP 77 1.838 -4.020 -1.852 625 HA TRP 77 HA TRP 77 4.228 -3.693 -0.304 626 1HB TRP 77 1HB TRP 77 3.383 -5.306 0.942 627 2HB TRP 77 2HB TRP 77 1.991 -5.352 -0.123 628 HD1 TRP 77 HD TRP 77 1.843 -7.319 -1.819 629 HE1 TRP 77 1HE TRP 77 3.017 -9.570 -2.110 630 HE3 TRP 77 3HE TRP 77 5.689 -6.666 1.519 631 HZ2 TRP 77 2HZ TRP 77 5.083 -11.020 -0.800 632 HZ3 TRP 77 3HZ TRP 77 6.918 -8.666 2.288 633 HH2 TRP 77 HH TRP 77 6.757 -10.803 1.051 634 H PHE 78 H PHE 78 3.484 -5.863 -3.107 635 HA PHE 78 HA PHE 78 6.107 -6.944 -3.222 636 1HB PHE 78 1HB PHE 78 3.946 -6.614 -5.339 637 2HB PHE 78 2HB PHE 78 5.487 -7.407 -5.656 638 HD1 PHE 78 2HD PHE 78 6.188 -9.177 -3.670 639 HD2 PHE 78 1HD PHE 78 2.361 -8.327 -5.411 640 HE1 PHE 78 2HE PHE 78 5.483 -11.506 -3.297 641 HE2 PHE 78 1HE PHE 78 1.726 -10.700 -5.150 642 HZ PHE 78 HZ PHE 78 3.303 -12.289 -4.047 643 H ALA 79 H ALA 79 4.632 -4.187 -4.944 644 HA ALA 79 HA ALA 79 6.877 -3.523 -6.546 645 1HB ALA 79 3HB ALA 79 4.672 -2.516 -6.920 646 2HB ALA 79 1HB ALA 79 4.792 -1.636 -5.373 647 3HB ALA 79 2HB ALA 79 5.921 -1.283 -6.691 648 H ASN 80 H ASN 80 5.950 -2.554 -3.180 649 HA ASN 80 HA ASN 80 8.227 -0.876 -2.788 650 1HB ASN 80 1HB ASN 80 6.397 -2.278 -0.847 651 2HB ASN 80 2HB ASN 80 7.921 -1.584 -0.307 652 1HD2 ASN 80 2HD2 ASN 80 4.880 0.958 -1.005 653 2HD2 ASN 80 1HD2 ASN 80 4.712 -0.795 -1.218 654 H ARG 81 H ARG 81 7.808 -4.418 -2.182 655 HA ARG 81 HA ARG 81 10.439 -4.759 -1.186 656 1HB ARG 81 1HB ARG 81 8.538 -6.676 -2.592 657 2HB ARG 81 2HB ARG 81 10.114 -7.192 -1.991 658 1HG ARG 81 1HG ARG 81 8.102 -5.820 -0.171 659 2HG ARG 81 2HG ARG 81 8.071 -7.571 -0.459 660 1HD ARG 81 1HD ARG 81 10.272 -7.893 0.445 661 2HD ARG 81 2HD ARG 81 10.599 -6.161 0.381 662 HE ARG 81 HE ARG 81 8.444 -7.030 2.178 663 1HH1 ARG 81 2HH2 ARG 81 11.866 -6.077 1.838 664 2HH1 ARG 81 1HH2 ARG 81 11.915 -5.183 3.209 665 1HH2 ARG 81 2HH1 ARG 81 8.696 -6.292 4.400 666 2HH2 ARG 81 1HH1 ARG 81 10.253 -5.704 4.917 667 H ARG 82 H ARG 82 9.345 -5.311 -4.621 668 HA ARG 82 HA ARG 82 12.125 -5.640 -5.382 669 1HB ARG 82 1HB ARG 82 11.455 -5.605 -7.634 670 2HB ARG 82 2HB ARG 82 10.443 -6.711 -6.712 671 1HG ARG 82 1HG ARG 82 8.532 -5.373 -6.902 672 2HG ARG 82 2HG ARG 82 9.458 -3.886 -7.120 673 1HD ARG 82 1HD ARG 82 10.265 -4.975 -9.395 674 2HD ARG 82 2HD ARG 82 8.972 -6.124 -9.120 675 HE ARG 82 HE ARG 82 7.503 -4.532 -9.919 676 1HH1 ARG 82 2HH2 ARG 82 10.393 -2.906 -8.796 677 2HH1 ARG 82 1HH2 ARG 82 10.078 -1.453 -9.695 678 1HH2 ARG 82 2HH1 ARG 82 6.881 -2.633 -10.740 679 2HH2 ARG 82 1HH1 ARG 82 7.741 -1.114 -10.440 680 H LYS 83 H LYS 83 10.289 -2.793 -4.640 681 HA LYS 83 HA LYS 83 12.155 -1.043 -6.061 682 1HB LYS 83 1HB LYS 83 9.987 -0.501 -4.030 683 2HB LYS 83 2HB LYS 83 11.092 0.735 -4.578 684 1HG LYS 83 1HG LYS 83 9.578 -0.886 -6.651 685 2HG LYS 83 2HG LYS 83 8.704 0.348 -5.744 686 1HD LYS 83 1HD LYS 83 11.175 0.793 -7.484 687 2HD LYS 83 2HD LYS 83 9.506 1.222 -7.870 688 1HE LYS 83 1HE LYS 83 9.878 2.474 -5.381 689 2HE LYS 83 2HE LYS 83 11.482 2.610 -6.123 690 1HZ LYS 83 2HZ LYS 83 10.272 3.591 -8.057 691 2HZ LYS 83 3HZ LYS 83 8.908 3.602 -7.137 692 3HZ LYS 83 1HZ LYS 83 10.251 4.462 -6.665 693 H GLU 84 H GLU 84 11.915 -2.502 -2.848 694 HA GLU 84 HA GLU 84 14.007 -1.124 -1.540 695 1HB GLU 84 1HB GLU 84 12.350 -3.274 -1.062 696 2HB GLU 84 2HB GLU 84 13.873 -4.117 -1.323 697 1HG GLU 84 1HG GLU 84 14.803 -2.939 0.625 698 2HG GLU 84 2HG GLU 84 13.346 -1.924 0.735 699 H GLU 85 H GLU 85 13.909 -3.730 -3.875 700 HA GLU 85 HA GLU 85 16.732 -4.258 -4.167 701 1HB GLU 85 1HB GLU 85 15.093 -5.937 -4.681 702 2HB GLU 85 2HB GLU 85 14.228 -4.867 -5.750 703 1HG GLU 85 1HG GLU 85 16.205 -4.957 -7.341 704 2HG GLU 85 2HG GLU 85 16.792 -6.301 -6.340 705 H ALA 86 H ALA 86 14.457 -2.798 -6.533 706 HA ALA 86 HA ALA 86 16.348 -1.752 -8.253 707 1HB ALA 86 2HB ALA 86 13.927 -1.932 -8.732 708 2HB ALA 86 3HB ALA 86 13.633 -0.522 -7.683 709 3HB ALA 86 1HB ALA 86 14.596 -0.343 -9.159 710 H PHE 87 H PHE 87 15.243 -0.377 -5.242 711 HA PHE 87 HA PHE 87 16.251 2.297 -5.493 712 1HB PHE 87 1HB PHE 87 14.588 1.767 -3.814 713 2HB PHE 87 2HB PHE 87 15.587 0.519 -3.093 714 HD1 PHE 87 1HD PHE 87 15.001 4.124 -3.414 715 HD2 PHE 87 2HD PHE 87 17.254 1.025 -1.434 716 HE1 PHE 87 1HE PHE 87 15.918 5.771 -1.843 717 HE2 PHE 87 2HE PHE 87 18.046 2.667 0.237 718 HZ PHE 87 HZ PHE 87 17.409 5.058 0.028 719 H ARG 88 H ARG 88 17.603 -0.353 -3.442 720 HA ARG 88 HA ARG 88 20.098 0.935 -3.177 721 1HB ARG 88 1HB ARG 88 18.963 -1.070 -1.926 722 2HB ARG 88 2HB ARG 88 19.753 -2.109 -3.094 723 1HG ARG 88 1HG ARG 88 21.320 -0.099 -1.396 724 2HG ARG 88 2HG ARG 88 20.729 -1.605 -0.708 725 1HD ARG 88 1HD ARG 88 22.989 -1.974 -1.301 726 2HD ARG 88 2HD ARG 88 21.963 -2.926 -2.396 727 HE ARG 88 HE ARG 88 22.503 -0.364 -3.553 728 1HH1 ARG 88 2HH2 ARG 88 24.273 -3.322 -2.852 729 2HH1 ARG 88 1HH2 ARG 88 25.229 -3.275 -4.298 730 1HH2 ARG 88 2HH1 ARG 88 23.547 -0.308 -5.452 731 2HH2 ARG 88 1HH1 ARG 88 24.876 -1.372 -5.836 732 H HIS 89 H HIS 89 18.941 -1.238 -5.688 733 HA HIS 89 HA HIS 89 21.447 -1.904 -6.868 734 1HB HIS 89 1HB HIS 89 19.408 -3.202 -7.237 735 2HB HIS 89 2HB HIS 89 18.576 -1.768 -7.844 736 HD1 HIS 89 1HD HIS 89 21.663 -1.676 -9.731 737 HD2 HIS 89 2HD HIS 89 17.984 -3.715 -9.770 738 HE1 HIS 89 1HE HIS 89 21.272 -2.431 -12.136 739 H LYS 90 H LYS 90 19.286 0.950 -7.193 740 HA LYS 90 HA LYS 90 21.102 2.013 -9.320 741 1HB LYS 90 1HB LYS 90 19.113 0.805 -10.323 742 2HB LYS 90 2HB LYS 90 18.065 1.912 -9.452 743 1HG LYS 90 1HG LYS 90 18.214 2.613 -11.675 744 2HG LYS 90 2HG LYS 90 19.023 3.840 -10.713 745 1HD LYS 90 1HD LYS 90 21.222 3.026 -11.376 746 2HD LYS 90 2HD LYS 90 20.529 1.619 -12.198 747 1HE LYS 90 1HE LYS 90 20.018 4.550 -12.955 748 2HE LYS 90 2HE LYS 90 21.216 3.516 -13.736 749 1HZ LYS 90 1HZ LYS 90 18.282 3.031 -13.777 750 2HZ LYS 90 2HZ LYS 90 19.176 3.623 -14.985 751 3HZ LYS 90 3HZ LYS 90 19.418 2.091 -14.493 752 H LEU 91 H LEU 91 21.622 2.781 -6.955 753 HA LEU 91 HA LEU 91 20.942 5.469 -6.756 754 1HB LEU 91 1HB LEU 91 18.826 4.141 -5.798 755 2HB LEU 91 2HB LEU 91 19.896 3.694 -4.485 756 HG LEU 91 HG LEU 91 20.182 6.308 -4.210 757 1HD1 LEU 91 2HD1 LEU 91 19.120 6.695 -6.551 758 2HD1 LEU 91 3HD1 LEU 91 17.599 6.135 -5.859 759 3HD1 LEU 91 1HD1 LEU 91 18.391 7.615 -5.232 760 1HD2 LEU 91 2HD2 LEU 91 18.940 4.782 -2.727 761 2HD2 LEU 91 3HD2 LEU 91 18.121 6.342 -2.903 762 3HD2 LEU 91 1HD2 LEU 91 17.555 4.921 -3.834 763 H ALA 92 H ALA 92 21.421 4.932 -3.693 764 HA ALA 92 HA ALA 92 23.001 4.337 -2.228 765 1HB ALA 92 2HB ALA 92 22.999 2.115 -3.369 766 2HB ALA 92 3HB ALA 92 24.361 2.656 -4.380 767 3HB ALA 92 1HB ALA 92 24.553 2.546 -2.633 768 H MET 93 H MET 93 23.144 6.642 -2.758 769 HA MET 93 HA MET 93 24.530 8.116 -1.825 770 1HB MET 93 1HB MET 93 26.409 6.422 -1.714 771 2HB MET 93 2HB MET 93 26.958 7.025 -3.292 772 1HG MET 93 1HG MET 93 27.459 9.182 -2.355 773 2HG MET 93 2HG MET 93 26.614 8.789 -0.846 774 1HE MET 93 1HE MET 93 28.677 9.752 0.473 775 2HE MET 93 2HE MET 93 30.350 9.201 0.219 776 3HE MET 93 3HE MET 93 29.509 10.100 -1.066 777 H ASP 94 H ASP 94 23.168 7.896 -4.569 778 HA ASP 94 HA ASP 94 24.147 10.478 -5.638 779 1HB ASP 94 1HB ASP 94 22.428 10.321 -7.271 780 2HB ASP 94 2HB ASP 94 23.288 8.775 -7.248 781 H THR 95 H THR 95 21.157 9.060 -4.160 782 HA THR 95 HA THR 95 20.948 11.245 -2.263 783 HB THR 95 HB THR 95 18.500 11.158 -3.977 784 HG1 THR 95 1HG THR 95 20.875 12.396 -4.839 785 1HG2 THR 95 3HG2 THR 95 20.116 13.440 -2.757 786 2HG2 THR 95 1HG2 THR 95 18.576 13.605 -3.610 787 3HG2 THR 95 2HG2 THR 95 18.627 12.734 -2.078 788 H TYR 96 H TYR 96 18.696 11.040 -1.124 789 HA TYR 96 HA TYR 96 17.921 8.223 -0.659 790 1HB TYR 96 1HB TYR 96 17.939 9.920 1.088 791 2HB TYR 96 2HB TYR 96 16.651 10.837 0.305 792 HD1 TYR 96 1HD TYR 96 17.708 7.741 2.082 793 HD2 TYR 96 2HD TYR 96 14.354 10.146 0.821 794 HE1 TYR 96 1HE TYR 96 16.278 6.601 3.725 795 HE2 TYR 96 2HE TYR 96 12.933 9.019 2.508 796 HH TYR 96 HH TYR 96 14.230 6.510 4.702 797 H LYS 97 H LYS 97 15.517 7.842 -0.970 798 HA LYS 97 HA LYS 97 14.341 9.163 -3.232 799 1HB LYS 97 1HB LYS 97 16.519 7.530 -3.903 800 2HB LYS 97 2HB LYS 97 15.151 6.558 -4.383 801 1HG LYS 97 1HG LYS 97 15.836 9.405 -5.274 802 2HG LYS 97 2HG LYS 97 15.970 7.935 -6.230 803 1HD LYS 97 1HD LYS 97 13.513 7.573 -6.033 804 2HD LYS 97 2HD LYS 97 13.378 9.123 -5.151 805 1HE LYS 97 1HE LYS 97 14.384 10.247 -7.178 806 2HE LYS 97 2HE LYS 97 14.151 8.718 -8.044 807 1HZ LYS 97 1HZ LYS 97 11.746 8.941 -7.233 808 2HZ LYS 97 2HZ LYS 97 12.082 10.506 -6.936 809 3HZ LYS 97 3HZ LYS 97 12.255 9.951 -8.460 810 H LEU 98 H LEU 98 13.342 7.800 -0.739 811 HA LEU 98 HA LEU 98 11.002 6.765 -1.878 812 1HB LEU 98 1HB LEU 98 13.046 5.003 -1.525 813 2HB LEU 98 2HB LEU 98 12.515 5.048 0.140 814 HG LEU 98 HG LEU 98 11.721 3.117 -1.067 815 1HD1 LEU 98 2HD1 LEU 98 10.256 4.028 0.724 816 2HD1 LEU 98 3HD1 LEU 98 9.389 5.011 -0.479 817 3HD1 LEU 98 1HD1 LEU 98 9.309 3.241 -0.547 818 1HD2 LEU 98 2HD2 LEU 98 11.657 4.058 -3.321 819 2HD2 LEU 98 3HD2 LEU 98 10.171 3.187 -2.905 820 3HD2 LEU 98 1HD2 LEU 98 10.167 4.958 -2.921 821 H ASN 99 H ASN 99 11.098 9.073 -0.780 822 HA ASN 99 HA ASN 99 10.705 9.129 2.094 823 1HB ASN 99 2HB ASN 99 10.256 11.379 1.878 824 2HB ASN 99 3HB ASN 99 11.404 11.121 0.574 825 1HD2 ASN 99 2HD2 ASN 99 8.989 11.882 -1.994 826 2HD2 ASN 99 1HD2 ASN 99 10.453 10.965 -1.662 No H/Q in entry = 826 Start of MODEL 8 1 1H MET 0 2H MET 0 14.383 18.423 -3.211 2 2H MET 0 3H MET 0 15.287 17.780 -2.018 3 3H MET 0 1H MET 0 15.867 17.746 -3.571 4 HA MET 0 HA MET 0 14.159 16.339 -4.272 5 1HB MET 0 2HB MET 0 16.302 15.424 -3.250 6 2HB MET 0 3HB MET 0 15.449 15.158 -1.742 7 1HG MET 0 2HG MET 0 15.726 13.178 -3.204 8 2HG MET 0 3HG MET 0 14.035 13.500 -2.828 9 1HE MET 0 1HE MET 0 13.649 11.630 -4.620 10 2HE MET 0 2HE MET 0 14.033 11.828 -6.348 11 3HE MET 0 3HE MET 0 15.345 11.593 -5.171 12 H ALA 1 H ALA 1 13.973 16.046 -0.688 13 HA ALA 1 HA ALA 1 12.216 15.839 0.714 14 1HB ALA 1 1HB ALA 1 12.554 18.275 0.415 15 2HB ALA 1 2HB ALA 1 11.323 18.283 -0.864 16 3HB ALA 1 3HB ALA 1 10.870 17.890 0.804 17 H ARG 2 H ARG 2 11.681 13.814 -0.831 18 HA ARG 2 HA ARG 2 9.191 13.989 -2.353 19 1HB ARG 2 1HB ARG 2 11.109 11.851 -1.515 20 2HB ARG 2 2HB ARG 2 9.459 11.341 -1.826 21 1HG ARG 2 1HG ARG 2 11.061 11.202 -3.736 22 2HG ARG 2 2HG ARG 2 9.479 11.892 -4.056 23 1HD ARG 2 1HD ARG 2 11.876 13.673 -3.466 24 2HD ARG 2 2HD ARG 2 11.691 12.967 -5.067 25 HE ARG 2 HE ARG 2 10.275 15.233 -4.048 26 1HH1 ARG 2 2HH2 ARG 2 9.959 12.446 -6.228 27 2HH1 ARG 2 1HH2 ARG 2 8.687 13.155 -7.175 28 1HH2 ARG 2 2HH1 ARG 2 8.592 16.100 -5.122 29 2HH2 ARG 2 1HH1 ARG 2 7.899 15.401 -6.577 30 H ILE 3 H ILE 3 7.758 15.072 -0.994 31 HA ILE 3 HA ILE 3 6.737 13.842 1.393 32 HB ILE 3 HB ILE 3 4.900 15.263 1.258 33 1HG1 ILE 3 1HG1 ILE 3 4.208 15.189 -1.076 34 2HG1 ILE 3 2HG1 ILE 3 4.340 16.816 -0.457 35 1HG2 ILE 3 2HG2 ILE 3 6.889 16.263 2.094 36 2HG2 ILE 3 3HG2 ILE 3 7.415 16.763 0.470 37 3HG2 ILE 3 1HG2 ILE 3 5.975 17.479 1.198 38 1HD1 ILE 3 2HD1 ILE 3 6.522 17.115 -1.614 39 2HD1 ILE 3 3HD1 ILE 3 6.318 15.510 -2.361 40 3HD1 ILE 3 1HD1 ILE 3 5.150 16.795 -2.682 41 H ASP 4 H ASP 4 5.889 13.573 -2.003 42 HA ASP 4 HA ASP 4 4.632 12.233 -3.249 43 1HB ASP 4 1HB ASP 4 5.763 10.338 -2.175 44 2HB ASP 4 2HB ASP 4 4.535 10.310 -0.898 45 HA PRO 5 HA PRO 5 0.593 13.637 -1.542 46 1HB PRO 5 1HB PRO 5 -0.863 13.806 -3.829 47 2HB PRO 5 2HB PRO 5 0.422 14.973 -3.430 48 1HG PRO 5 1HG PRO 5 0.670 12.534 -5.216 49 2HG PRO 5 2HG PRO 5 1.141 14.215 -5.590 50 1HD PRO 5 1HD PRO 5 2.912 12.344 -4.662 51 2HD PRO 5 2HD PRO 5 3.055 14.061 -4.190 52 H THR 6 H THR 6 1.117 11.306 -0.734 53 HA THR 6 HA THR 6 0.741 9.095 -0.476 54 HB THR 6 HB THR 6 -1.615 8.712 0.257 55 HG1 THR 6 1HG THR 6 -3.110 10.269 0.010 56 1HG2 THR 6 1HG2 THR 6 -0.447 11.363 1.177 57 2HG2 THR 6 2HG2 THR 6 -1.670 10.412 2.028 58 3HG2 THR 6 3HG2 THR 6 -0.048 9.758 1.825 59 H LYS 7 H LYS 7 1.201 9.361 -3.248 60 HA LYS 7 HA LYS 7 -1.141 8.645 -4.696 61 1HB LYS 7 1HB LYS 7 0.103 8.627 -6.620 62 2HB LYS 7 2HB LYS 7 0.790 9.904 -5.620 63 1HG LYS 7 1HG LYS 7 2.778 8.453 -5.164 64 2HG LYS 7 2HG LYS 7 2.029 7.162 -6.111 65 1HD LYS 7 1HD LYS 7 3.434 8.068 -7.664 66 2HD LYS 7 2HD LYS 7 1.867 8.746 -8.065 67 1HE LYS 7 1HE LYS 7 2.871 10.772 -8.065 68 2HE LYS 7 2HE LYS 7 2.880 10.669 -6.305 69 1HZ LYS 7 1HZ LYS 7 5.083 9.704 -8.044 70 2HZ LYS 7 2HZ LYS 7 5.059 11.143 -7.243 71 3HZ LYS 7 3HZ LYS 7 5.070 9.722 -6.410 72 H LYS 8 H LYS 8 1.720 6.702 -3.935 73 HA LYS 8 HA LYS 8 0.355 4.279 -4.931 74 1HB LYS 8 1HB LYS 8 2.535 3.204 -4.682 75 2HB LYS 8 2HB LYS 8 2.517 4.612 -5.737 76 1HG LYS 8 1HG LYS 8 3.517 5.961 -3.752 77 2HG LYS 8 2HG LYS 8 3.745 4.386 -2.974 78 1HD LYS 8 1HD LYS 8 4.958 3.654 -5.111 79 2HD LYS 8 2HD LYS 8 4.779 5.310 -5.702 80 1HE LYS 8 1HE LYS 8 6.936 5.363 -4.871 81 2HE LYS 8 2HE LYS 8 6.027 6.019 -3.502 82 1HZ LYS 8 2HZ LYS 8 6.117 3.761 -2.539 83 2HZ LYS 8 3HZ LYS 8 6.997 3.241 -3.843 84 3HZ LYS 8 1HZ LYS 8 7.602 4.370 -2.808 85 H GLY 9 H GLY 9 -1.127 5.046 -3.003 86 1HA GLY 9 1HA GLY 9 -1.880 3.151 -1.430 87 2HA GLY 9 2HA GLY 9 -0.375 3.501 -0.557 88 H ARG 10 H ARG 10 -3.337 5.032 -1.763 89 HA ARG 10 HA ARG 10 -3.279 7.174 0.234 90 1HB ARG 10 1HB ARG 10 -5.579 7.613 -0.538 91 2HB ARG 10 2HB ARG 10 -4.374 7.686 -1.817 92 1HG ARG 10 1HG ARG 10 -5.642 5.001 -1.549 93 2HG ARG 10 2HG ARG 10 -6.775 6.285 -1.915 94 1HD ARG 10 1HD ARG 10 -4.225 5.850 -3.540 95 2HD ARG 10 2HD ARG 10 -5.778 5.045 -3.853 96 HE ARG 10 HE ARG 10 -6.188 7.890 -3.702 97 1HH1 ARG 10 2HH2 ARG 10 -4.937 5.296 -5.817 98 2HH1 ARG 10 1HH2 ARG 10 -5.491 6.037 -7.266 99 1HH2 ARG 10 2HH1 ARG 10 -6.898 8.859 -5.543 100 2HH2 ARG 10 1HH1 ARG 10 -6.621 8.154 -7.140 101 H ARG 11 H ARG 11 -4.709 3.907 -0.050 102 HA ARG 11 HA ARG 11 -6.379 4.282 2.153 103 1HB ARG 11 1HB ARG 11 -6.205 2.373 0.157 104 2HB ARG 11 2HB ARG 11 -5.632 1.485 1.560 105 1HG ARG 11 1HG ARG 11 -7.908 1.103 1.677 106 2HG ARG 11 2HG ARG 11 -7.791 2.505 2.728 107 1HD ARG 11 1HD ARG 11 -8.779 2.273 -0.140 108 2HD ARG 11 2HD ARG 11 -9.689 2.861 1.237 109 HE ARG 11 HE ARG 11 -8.172 4.334 -0.654 110 1HH1 ARG 11 2HH2 ARG 11 -8.745 4.447 2.856 111 2HH1 ARG 11 1HH2 ARG 11 -9.163 6.137 2.845 112 1HH2 ARG 11 2HH1 ARG 11 -8.662 6.714 -0.557 113 2HH2 ARG 11 1HH1 ARG 11 -8.886 7.363 1.041 114 H ASN 12 H ASN 12 -6.198 3.256 4.239 115 HA ASN 12 HA ASN 12 -3.488 2.570 5.236 116 1HB ASN 12 1HB ASN 12 -3.332 4.976 4.849 117 2HB ASN 12 2HB ASN 12 -4.805 5.251 5.790 118 1HD2 ASN 12 2HD2 ASN 12 -3.004 5.458 8.795 119 2HD2 ASN 12 1HD2 ASN 12 -4.356 5.994 7.821 120 H ARG 13 H ARG 13 -6.929 3.090 5.985 121 HA ARG 13 HA ARG 13 -6.691 2.325 8.737 122 1HB ARG 13 1HB ARG 13 -9.038 1.906 8.670 123 2HB ARG 13 2HB ARG 13 -8.633 3.429 7.888 124 1HG ARG 13 1HG ARG 13 -10.118 2.786 6.370 125 2HG ARG 13 2HG ARG 13 -8.806 1.863 5.659 126 1HD ARG 13 1HD ARG 13 -9.576 -0.198 6.734 127 2HD ARG 13 2HD ARG 13 -10.685 0.659 7.780 128 HE ARG 13 HE ARG 13 -11.174 -0.304 5.137 129 1HH1 ARG 13 2HH2 ARG 13 -11.995 2.325 7.325 130 2HH1 ARG 13 1HH2 ARG 13 -13.632 2.505 6.779 131 1HH2 ARG 13 2HH1 ARG 13 -13.330 -0.189 4.451 132 2HH2 ARG 13 1HH1 ARG 13 -14.387 1.096 4.960 133 H PHE 14 H PHE 14 -7.176 0.547 5.807 134 HA PHE 14 HA PHE 14 -7.247 -2.150 6.830 135 1HB PHE 14 1HB PHE 14 -8.131 -1.733 4.665 136 2HB PHE 14 2HB PHE 14 -6.695 -0.824 4.180 137 HD1 PHE 14 1HD PHE 14 -6.229 -4.239 5.658 138 HD2 PHE 14 2HD PHE 14 -7.183 -2.160 2.073 139 HE1 PHE 14 1HE PHE 14 -4.893 -5.884 4.373 140 HE2 PHE 14 2HE PHE 14 -6.149 -3.984 0.806 141 HZ PHE 14 HZ PHE 14 -4.566 -5.530 1.895 142 H LYS 15 H LYS 15 -5.610 -2.968 7.966 143 HA LYS 15 HA LYS 15 -2.786 -2.636 7.044 144 1HB LYS 15 1HB LYS 15 -2.106 -3.401 9.224 145 2HB LYS 15 2HB LYS 15 -3.087 -1.961 9.399 146 1HG LYS 15 1HG LYS 15 -4.824 -4.324 9.561 147 2HG LYS 15 2HG LYS 15 -3.410 -4.568 10.576 148 1HD LYS 15 1HD LYS 15 -3.926 -2.315 11.655 149 2HD LYS 15 2HD LYS 15 -5.351 -2.197 10.617 150 1HE LYS 15 1HE LYS 15 -6.244 -3.051 12.576 151 2HE LYS 15 2HE LYS 15 -6.022 -4.538 11.648 152 1HZ LYS 15 2HZ LYS 15 -3.883 -4.809 12.929 153 2HZ LYS 15 3HZ LYS 15 -4.312 -3.479 13.803 154 3HZ LYS 15 1HZ LYS 15 -5.236 -4.835 13.852 155 H TRP 16 H TRP 16 -1.666 -4.727 6.761 156 HA TRP 16 HA TRP 16 -3.430 -6.876 5.846 157 1HB TRP 16 1HB TRP 16 -0.431 -6.659 6.163 158 2HB TRP 16 2HB TRP 16 -1.262 -8.062 5.517 159 HD1 TRP 16 HD TRP 16 -0.488 -4.414 4.653 160 HE1 TRP 16 1HE TRP 16 -0.663 -4.074 2.136 161 HE3 TRP 16 3HE TRP 16 -2.511 -8.967 3.331 162 HZ2 TRP 16 2HZ TRP 16 -1.473 -5.593 -0.145 163 HZ3 TRP 16 3HZ TRP 16 -2.937 -9.475 0.957 164 HH2 TRP 16 HH TRP 16 -2.464 -7.788 -0.790 165 H GLY 17 H GLY 17 -4.463 -8.152 7.232 166 1HA GLY 17 1HA GLY 17 -3.865 -8.376 10.038 167 2HA GLY 17 2HA GLY 17 -5.039 -9.310 9.087 168 HA PRO 18 HA PRO 18 -1.389 -11.901 10.372 169 1HB PRO 18 1HB PRO 18 -2.797 -14.068 11.460 170 2HB PRO 18 2HB PRO 18 -2.270 -12.630 12.375 171 1HG PRO 18 1HG PRO 18 -4.977 -13.226 11.184 172 2HG PRO 18 2HG PRO 18 -4.605 -12.502 12.767 173 1HD PRO 18 1HD PRO 18 -5.356 -11.008 10.605 174 2HD PRO 18 2HD PRO 18 -4.177 -10.390 11.801 175 H ALA 19 H ALA 19 -4.255 -13.550 9.249 176 HA ALA 19 HA ALA 19 -2.921 -15.580 7.774 177 1HB ALA 19 3HB ALA 19 -5.657 -14.350 7.197 178 2HB ALA 19 1HB ALA 19 -5.014 -15.835 6.464 179 3HB ALA 19 2HB ALA 19 -5.303 -15.776 8.208 180 H SER 20 H SER 20 -4.313 -12.554 6.600 181 HA SER 20 HA SER 20 -3.345 -12.085 4.101 182 1HB SER 20 1HB SER 20 -3.673 -10.511 6.621 183 2HB SER 20 2HB SER 20 -2.775 -9.720 5.342 184 HG SER 20 HG SER 20 -5.273 -10.961 4.834 185 H GLN 21 H GLN 21 -1.250 -11.660 7.076 186 HA GLN 21 HA GLN 21 1.070 -10.912 5.544 187 1HB GLN 21 1HB GLN 21 0.700 -11.953 8.377 188 2HB GLN 21 2HB GLN 21 2.284 -11.611 7.694 189 1HG GLN 21 1HG GLN 21 1.871 -9.339 7.437 190 2HG GLN 21 2HG GLN 21 0.130 -9.491 7.573 191 1HE2 GLN 21 2HE2 GLN 21 0.103 -9.303 11.110 192 2HE2 GLN 21 1HE2 GLN 21 -0.789 -9.504 9.589 193 H GLN 22 H GLN 22 -0.185 -14.073 6.698 194 HA GLN 22 HA GLN 22 2.119 -15.533 5.830 195 1HB GLN 22 1HB GLN 22 0.429 -16.509 7.347 196 2HB GLN 22 2HB GLN 22 -0.754 -16.547 6.032 197 1HG GLN 22 1HG GLN 22 0.302 -18.750 6.347 198 2HG GLN 22 2HG GLN 22 0.638 -18.097 4.744 199 1HE2 GLN 22 2HE2 GLN 22 3.714 -18.198 7.538 200 2HE2 GLN 22 1HE2 GLN 22 2.030 -18.262 8.060 201 H ILE 23 H ILE 23 -0.987 -14.731 4.169 202 HA ILE 23 HA ILE 23 -0.422 -15.999 1.740 203 HB ILE 23 HB ILE 23 -1.716 -13.280 1.689 204 1HG1 ILE 23 1HG1 ILE 23 -2.934 -14.333 3.468 205 2HG1 ILE 23 2HG1 ILE 23 -3.869 -14.274 1.997 206 1HG2 ILE 23 1HG2 ILE 23 -2.044 -15.861 0.084 207 2HG2 ILE 23 2HG2 ILE 23 -2.966 -14.365 -0.158 208 3HG2 ILE 23 3HG2 ILE 23 -1.208 -14.404 -0.432 209 1HD1 ILE 23 3HD1 ILE 23 -2.449 -16.758 3.007 210 2HD1 ILE 23 1HD1 ILE 23 -4.181 -16.389 3.190 211 3HD1 ILE 23 2HD1 ILE 23 -3.510 -16.651 1.576 212 H LEU 24 H LEU 24 0.434 -12.647 2.762 213 HA LEU 24 HA LEU 24 1.777 -12.046 0.347 214 1HB LEU 24 1HB LEU 24 2.137 -10.973 3.190 215 2HB LEU 24 2HB LEU 24 3.052 -10.350 1.814 216 HG LEU 24 HG LEU 24 0.016 -10.267 2.124 217 1HD1 LEU 24 2HD1 LEU 24 2.222 -8.166 2.087 218 2HD1 LEU 24 3HD1 LEU 24 0.508 -7.792 1.933 219 3HD1 LEU 24 1HD1 LEU 24 1.104 -8.554 3.419 220 1HD2 LEU 24 3HD2 LEU 24 1.813 -9.936 -0.241 221 2HD2 LEU 24 1HD2 LEU 24 0.172 -10.555 -0.174 222 3HD2 LEU 24 2HD2 LEU 24 0.453 -8.807 -0.099 223 H PHE 25 H PHE 25 3.045 -13.754 3.187 224 HA PHE 25 HA PHE 25 5.768 -13.696 2.178 225 1HB PHE 25 1HB PHE 25 4.370 -15.396 4.258 226 2HB PHE 25 2HB PHE 25 5.993 -15.729 3.684 227 HD1 PHE 25 2HD PHE 25 4.713 -12.197 4.147 228 HD2 PHE 25 1HD PHE 25 7.107 -15.422 5.761 229 HE1 PHE 25 2HE PHE 25 5.722 -10.644 5.763 230 HE2 PHE 25 1HE PHE 25 8.151 -13.834 7.338 231 HZ PHE 25 HZ PHE 25 7.427 -11.442 7.372 232 H GLN 26 H GLN 26 3.155 -16.229 2.028 233 HA GLN 26 HA GLN 26 4.750 -17.927 0.407 234 1HB GLN 26 1HB GLN 26 2.877 -19.203 -0.140 235 2HB GLN 26 2HB GLN 26 2.867 -18.816 1.582 236 1HG GLN 26 1HG GLN 26 0.963 -17.707 1.484 237 2HG GLN 26 2HG GLN 26 1.381 -16.896 -0.044 238 1HE2 GLN 26 2HE2 GLN 26 -1.416 -19.492 -0.532 239 2HE2 GLN 26 1HE2 GLN 26 -1.035 -18.828 1.048 240 H ALA 27 H ALA 27 2.783 -15.103 -0.480 241 HA ALA 27 HA ALA 27 2.778 -15.488 -3.287 242 1HB ALA 27 3HB ALA 27 1.454 -13.841 -1.945 243 2HB ALA 27 1HB ALA 27 2.896 -12.841 -1.747 244 3HB ALA 27 2HB ALA 27 2.258 -13.119 -3.367 245 H TYR 28 H TYR 28 4.904 -13.588 -1.155 246 HA TYR 28 HA TYR 28 6.812 -12.698 -3.015 247 1HB TYR 28 1HB TYR 28 6.379 -12.156 -0.510 248 2HB TYR 28 2HB TYR 28 7.415 -13.519 -0.141 249 HD1 TYR 28 2HD TYR 28 7.227 -10.169 -1.782 250 HD2 TYR 28 1HD TYR 28 9.774 -13.124 0.014 251 HE1 TYR 28 2HE TYR 28 9.185 -8.739 -2.247 252 HE2 TYR 28 1HE TYR 28 11.677 -11.544 -0.142 253 HH TYR 28 HH TYR 28 12.306 -9.359 -0.728 254 H GLU 29 H GLU 29 6.554 -15.742 -1.259 255 HA GLU 29 HA GLU 29 9.034 -16.851 -2.090 256 1HB GLU 29 1HB GLU 29 7.383 -17.450 -0.199 257 2HB GLU 29 2HB GLU 29 6.522 -18.433 -1.381 258 1HG GLU 29 1HG GLU 29 8.227 -20.009 -1.471 259 2HG GLU 29 2HG GLU 29 9.493 -18.839 -1.080 260 H ARG 30 H ARG 30 5.675 -17.346 -3.315 261 HA ARG 30 HA ARG 30 6.630 -19.181 -5.253 262 1HB ARG 30 1HB ARG 30 3.850 -17.994 -4.857 263 2HB ARG 30 2HB ARG 30 4.258 -19.246 -6.049 264 1HG ARG 30 1HG ARG 30 5.281 -20.583 -4.104 265 2HG ARG 30 2HG ARG 30 4.471 -19.485 -3.009 266 1HD ARG 30 1HD ARG 30 3.161 -21.286 -5.086 267 2HD ARG 30 2HD ARG 30 3.290 -21.597 -3.370 268 HE ARG 30 HE ARG 30 1.859 -19.662 -2.880 269 1HH1 ARG 30 2HH2 ARG 30 1.566 -20.860 -6.229 270 2HH1 ARG 30 1HH2 ARG 30 -0.166 -20.775 -6.195 271 1HH2 ARG 30 2HH1 ARG 30 -0.422 -19.689 -2.831 272 2HH2 ARG 30 1HH1 ARG 30 -1.331 -20.114 -4.194 273 H GLN 31 H GLN 31 5.668 -15.731 -5.546 274 HA GLN 31 HA GLN 31 7.513 -15.695 -7.835 275 1HB GLN 31 1HB GLN 31 4.766 -14.374 -7.927 276 2HB GLN 31 2HB GLN 31 6.154 -13.862 -8.900 277 1HG GLN 31 1HG GLN 31 6.359 -16.264 -9.721 278 2HG GLN 31 2HG GLN 31 4.753 -16.548 -9.031 279 1HE2 GLN 31 2HE2 GLN 31 3.090 -14.658 -11.598 280 2HE2 GLN 31 1HE2 GLN 31 2.926 -15.409 -10.025 281 H LYS 32 H LYS 32 9.051 -14.311 -7.493 282 HA LYS 32 HA LYS 32 8.906 -12.521 -5.161 283 1HB LYS 32 1HB LYS 32 10.762 -14.298 -5.784 284 2HB LYS 32 2HB LYS 32 11.254 -13.153 -7.007 285 1HG LYS 32 1HG LYS 32 12.713 -12.876 -5.137 286 2HG LYS 32 2HG LYS 32 11.703 -11.450 -5.285 287 1HD LYS 32 1HD LYS 32 11.802 -11.821 -3.019 288 2HD LYS 32 2HD LYS 32 10.220 -12.479 -3.407 289 1HE LYS 32 1HE LYS 32 12.831 -13.985 -2.888 290 2HE LYS 32 2HE LYS 32 11.443 -13.893 -1.804 291 1HZ LYS 32 3HZ LYS 32 10.187 -15.082 -3.604 292 2HZ LYS 32 1HZ LYS 32 11.673 -15.355 -4.323 293 3HZ LYS 32 2HZ LYS 32 11.365 -15.957 -2.850 294 H ASN 33 H ASN 33 8.307 -12.317 -8.501 295 HA ASN 33 HA ASN 33 8.753 -9.406 -8.454 296 1HB ASN 33 1HB ASN 33 9.221 -9.389 -10.710 297 2HB ASN 33 2HB ASN 33 10.292 -10.627 -10.057 298 1HD2 ASN 33 2HD2 ASN 33 8.484 -13.266 -11.826 299 2HD2 ASN 33 1HD2 ASN 33 9.195 -13.041 -10.229 300 HA PRO 34 HA PRO 34 4.421 -9.878 -8.522 301 1HB PRO 34 1HB PRO 34 3.539 -7.299 -8.734 302 2HB PRO 34 2HB PRO 34 4.355 -7.965 -7.303 303 1HG PRO 34 1HG PRO 34 5.627 -6.385 -9.548 304 2HG PRO 34 2HG PRO 34 5.788 -6.076 -7.806 305 1HD PRO 34 1HD PRO 34 7.659 -7.491 -9.178 306 2HD PRO 34 2HD PRO 34 7.170 -8.005 -7.531 307 H SER 35 H SER 35 4.253 -11.084 -10.437 308 HA SER 35 HA SER 35 4.253 -9.977 -13.067 309 1HB SER 35 1HB SER 35 4.813 -12.270 -12.748 310 2HB SER 35 2HB SER 35 3.297 -12.587 -11.914 311 HG SER 35 HG SER 35 2.668 -13.193 -13.802 312 H LYS 36 H LYS 36 1.289 -11.769 -12.403 313 HA LYS 36 HA LYS 36 -0.348 -9.393 -12.303 314 1HB LYS 36 1HB LYS 36 0.410 -9.300 -14.688 315 2HB LYS 36 2HB LYS 36 -0.157 -10.962 -14.903 316 1HG LYS 36 1HG LYS 36 -1.735 -9.414 -15.879 317 2HG LYS 36 2HG LYS 36 -2.484 -10.250 -14.544 318 1HD LYS 36 1HD LYS 36 -1.505 -7.896 -13.305 319 2HD LYS 36 2HD LYS 36 -1.823 -7.373 -14.949 320 1HE LYS 36 1HE LYS 36 -3.858 -6.988 -13.776 321 2HE LYS 36 2HE LYS 36 -4.144 -8.450 -14.733 322 1HZ LYS 36 1HZ LYS 36 -3.449 -9.583 -12.443 323 2HZ LYS 36 2HZ LYS 36 -3.929 -8.114 -11.844 324 3HZ LYS 36 3HZ LYS 36 -4.942 -8.997 -12.688 325 H GLU 37 H GLU 37 -0.262 -12.880 -13.142 326 HA GLU 37 HA GLU 37 -3.055 -13.304 -12.334 327 1HB GLU 37 1HB GLU 37 -1.833 -14.688 -14.068 328 2HB GLU 37 2HB GLU 37 -0.696 -15.145 -12.805 329 1HG GLU 37 1HG GLU 37 -2.774 -16.115 -11.583 330 2HG GLU 37 2HG GLU 37 -3.475 -16.107 -13.216 331 H GLU 38 H GLU 38 0.241 -13.739 -11.161 332 HA GLU 38 HA GLU 38 0.302 -14.512 -8.571 333 1HB GLU 38 1HB GLU 38 2.278 -13.704 -9.044 334 2HB GLU 38 2HB GLU 38 1.712 -12.519 -10.212 335 1HG GLU 38 1HG GLU 38 1.529 -11.983 -7.241 336 2HG GLU 38 2HG GLU 38 3.063 -11.882 -8.086 337 H ARG 39 H ARG 39 -0.411 -11.105 -9.255 338 HA ARG 39 HA ARG 39 -1.086 -10.877 -6.647 339 1HB ARG 39 1HB ARG 39 -2.037 -8.540 -7.260 340 2HB ARG 39 2HB ARG 39 -0.395 -8.881 -7.814 341 1HG ARG 39 1HG ARG 39 -1.460 -9.621 -10.051 342 2HG ARG 39 2HG ARG 39 -2.956 -8.910 -9.437 343 1HD ARG 39 1HD ARG 39 -1.927 -7.271 -10.742 344 2HD ARG 39 2HD ARG 39 -1.575 -6.785 -9.066 345 HE ARG 39 HE ARG 39 0.590 -8.427 -9.997 346 1HH1 ARG 39 2HH2 ARG 39 -1.017 -5.327 -10.609 347 2HH1 ARG 39 1HH2 ARG 39 0.362 -4.607 -11.424 348 1HH2 ARG 39 2HH1 ARG 39 2.450 -7.386 -11.231 349 2HH2 ARG 39 1HH1 ARG 39 2.267 -5.715 -11.714 350 H GLU 40 H GLU 40 -3.342 -11.165 -9.310 351 HA GLU 40 HA GLU 40 -5.754 -10.804 -7.960 352 1HB GLU 40 1HB GLU 40 -4.874 -11.864 -10.493 353 2HB GLU 40 2HB GLU 40 -6.170 -12.847 -9.824 354 1HG GLU 40 1HG GLU 40 -7.371 -11.306 -11.014 355 2HG GLU 40 2HG GLU 40 -7.434 -10.583 -9.411 356 H THR 41 H THR 41 -3.563 -13.615 -8.191 357 HA THR 41 HA THR 41 -5.195 -15.530 -7.003 358 HB THR 41 HB THR 41 -2.346 -15.276 -7.782 359 HG1 THR 41 1HG THR 41 -4.389 -17.195 -7.929 360 1HG2 THR 41 3HG2 THR 41 -3.118 -17.222 -5.600 361 2HG2 THR 41 1HG2 THR 41 -1.628 -17.278 -6.594 362 3HG2 THR 41 2HG2 THR 41 -1.909 -15.935 -5.505 363 H LEU 42 H LEU 42 -2.624 -13.360 -5.371 364 HA LEU 42 HA LEU 42 -3.464 -14.395 -2.917 365 1HB LEU 42 1HB LEU 42 -2.508 -11.650 -2.682 366 2HB LEU 42 2HB LEU 42 -2.241 -13.167 -1.893 367 HG LEU 42 HG LEU 42 -0.294 -12.771 -2.428 368 1HD1 LEU 42 1HD1 LEU 42 -1.032 -14.937 -3.498 369 2HD1 LEU 42 2HD1 LEU 42 -0.817 -14.126 -5.064 370 3HD1 LEU 42 3HD1 LEU 42 0.551 -14.351 -4.021 371 1HD2 LEU 42 3HD2 LEU 42 -1.304 -11.243 -4.630 372 2HD2 LEU 42 1HD2 LEU 42 -0.179 -10.802 -3.332 373 3HD2 LEU 42 2HD2 LEU 42 0.424 -11.746 -4.721 374 H VAL 43 H VAL 43 -4.664 -11.647 -4.787 375 HA VAL 43 HA VAL 43 -6.275 -10.666 -2.687 376 HB VAL 43 HB VAL 43 -7.582 -10.704 -5.402 377 1HG1 VAL 43 1HG1 VAL 43 -8.649 -9.838 -3.256 378 2HG1 VAL 43 2HG1 VAL 43 -7.337 -8.675 -3.131 379 3HG1 VAL 43 3HG1 VAL 43 -8.466 -8.586 -4.495 380 1HG2 VAL 43 2HG2 VAL 43 -5.316 -8.863 -4.497 381 2HG2 VAL 43 3HG2 VAL 43 -5.376 -9.871 -5.961 382 3HG2 VAL 43 1HG2 VAL 43 -6.479 -8.526 -5.813 383 H GLU 44 H GLU 44 -7.082 -13.314 -4.962 384 HA GLU 44 HA GLU 44 -9.537 -14.148 -3.783 385 1HB GLU 44 1HB GLU 44 -8.994 -14.930 -5.922 386 2HB GLU 44 2HB GLU 44 -7.371 -15.424 -5.442 387 1HG GLU 44 1HG GLU 44 -8.737 -17.328 -5.935 388 2HG GLU 44 2HG GLU 44 -8.222 -17.352 -4.251 389 H GLU 45 H GLU 45 -6.357 -15.740 -3.342 390 HA GLU 45 HA GLU 45 -6.866 -17.460 -1.289 391 1HB GLU 45 1HB GLU 45 -4.560 -16.186 -2.432 392 2HB GLU 45 2HB GLU 45 -4.313 -16.277 -0.699 393 1HG GLU 45 1HG GLU 45 -4.593 -18.711 -0.782 394 2HG GLU 45 2HG GLU 45 -4.994 -18.621 -2.507 395 H CYS 46 H CYS 46 -6.049 -14.058 -0.961 396 HA CYS 46 HA CYS 46 -5.979 -13.938 1.915 397 1HB CYS 46 1HB CYS 46 -4.837 -12.177 0.398 398 2HB CYS 46 2HB CYS 46 -6.423 -11.724 -0.132 399 HG CYS 46 HG CYS 46 -7.396 -11.122 2.241 400 H ASN 47 H ASN 47 -8.308 -12.715 -0.526 401 HA ASN 47 HA ASN 47 -10.357 -11.707 1.089 402 1HB ASN 47 1HB ASN 47 -10.405 -13.158 -1.609 403 2HB ASN 47 2HB ASN 47 -11.896 -12.772 -0.800 404 1HD2 ASN 47 2HD2 ASN 47 -11.303 -9.147 -1.118 405 2HD2 ASN 47 1HD2 ASN 47 -11.707 -10.264 0.184 406 H ARG 48 H ARG 48 -9.991 -15.027 -0.167 407 HA ARG 48 HA ARG 48 -12.268 -16.073 1.100 408 1HB ARG 48 1HB ARG 48 -10.850 -16.967 -0.817 409 2HB ARG 48 2HB ARG 48 -9.750 -17.646 0.385 410 1HG ARG 48 1HG ARG 48 -11.619 -18.954 1.356 411 2HG ARG 48 2HG ARG 48 -12.759 -18.210 0.222 412 1HD ARG 48 1HD ARG 48 -10.387 -19.960 -0.567 413 2HD ARG 48 2HD ARG 48 -12.089 -20.475 -0.456 414 HE ARG 48 HE ARG 48 -11.341 -18.196 -2.279 415 1HH1 ARG 48 2HH2 ARG 48 -11.864 -21.645 -2.121 416 2HH1 ARG 48 1HH2 ARG 48 -12.406 -21.792 -3.769 417 1HH2 ARG 48 2HH1 ARG 48 -12.025 -18.319 -4.418 418 2HH2 ARG 48 1HH1 ARG 48 -12.469 -19.805 -5.141 419 H ALA 49 H ALA 49 -8.791 -16.282 2.096 420 HA ALA 49 HA ALA 49 -9.190 -17.551 4.566 421 1HB ALA 49 2HB ALA 49 -6.971 -17.124 3.583 422 2HB ALA 49 3HB ALA 49 -7.155 -15.384 3.888 423 3HB ALA 49 1HB ALA 49 -7.069 -16.523 5.248 424 H GLU 50 H GLU 50 -9.476 -14.069 3.777 425 HA GLU 50 HA GLU 50 -9.672 -13.319 6.573 426 1HB GLU 50 1HB GLU 50 -8.533 -11.955 4.926 427 2HB GLU 50 2HB GLU 50 -10.022 -11.737 4.011 428 1HG GLU 50 1HG GLU 50 -9.328 -9.771 5.338 429 2HG GLU 50 2HG GLU 50 -10.932 -10.334 5.783 430 H CYS 51 H CYS 51 -11.928 -14.095 3.936 431 HA CYS 51 HA CYS 51 -14.253 -13.258 5.443 432 1HB CYS 51 1HB CYS 51 -15.569 -13.987 3.843 433 2HB CYS 51 2HB CYS 51 -14.087 -13.962 2.858 434 HG CYS 51 HG CYS 51 -15.706 -16.385 4.431 435 H ILE 52 H ILE 52 -12.343 -16.315 5.189 436 HA ILE 52 HA ILE 52 -14.140 -17.831 6.815 437 HB ILE 52 HB ILE 52 -11.220 -18.189 6.061 438 1HG1 ILE 52 1HG1 ILE 52 -13.710 -19.760 5.246 439 2HG1 ILE 52 2HG1 ILE 52 -13.112 -18.381 4.331 440 1HG2 ILE 52 2HG2 ILE 52 -13.001 -20.125 7.606 441 2HG2 ILE 52 3HG2 ILE 52 -11.405 -20.515 6.929 442 3HG2 ILE 52 1HG2 ILE 52 -11.532 -19.333 8.221 443 1HD1 ILE 52 2HD1 ILE 52 -10.923 -19.533 4.013 444 2HD1 ILE 52 3HD1 ILE 52 -11.612 -20.985 4.781 445 3HD1 ILE 52 1HD1 ILE 52 -12.306 -20.369 3.279 446 H GLN 53 H GLN 53 -11.506 -15.654 7.539 447 HA GLN 53 HA GLN 53 -11.336 -16.203 10.373 448 1HB GLN 53 1HB GLN 53 -10.643 -13.778 8.706 449 2HB GLN 53 2HB GLN 53 -10.362 -13.821 10.453 450 1HG GLN 53 1HG GLN 53 -8.928 -15.810 10.204 451 2HG GLN 53 2HG GLN 53 -9.045 -15.668 8.451 452 1HE2 GLN 53 2HE2 GLN 53 -7.420 -12.169 8.999 453 2HE2 GLN 53 1HE2 GLN 53 -9.076 -12.536 8.704 454 H ARG 54 H ARG 54 -14.183 -15.399 9.015 455 HA ARG 54 HA ARG 54 -15.166 -14.481 11.601 456 1HB ARG 54 1HB ARG 54 -15.067 -12.689 9.214 457 2HB ARG 54 2HB ARG 54 -16.616 -12.738 10.041 458 1HG ARG 54 1HG ARG 54 -15.825 -11.990 12.096 459 2HG ARG 54 2HG ARG 54 -14.156 -12.301 11.752 460 1HD ARG 54 1HD ARG 54 -15.852 -10.012 10.879 461 2HD ARG 54 2HD ARG 54 -14.254 -9.991 11.621 462 HE ARG 54 HE ARG 54 -14.840 -9.761 8.913 463 1HH1 ARG 54 2HH2 ARG 54 -12.587 -12.091 10.593 464 2HH1 ARG 54 1HH2 ARG 54 -11.375 -11.741 9.369 465 1HH2 ARG 54 2HH1 ARG 54 -13.265 -9.809 7.264 466 2HH2 ARG 54 1HH1 ARG 54 -11.806 -10.744 7.583 467 H GLY 55 H GLY 55 -15.745 -15.356 8.278 468 1HA GLY 55 1HA GLY 55 -17.169 -17.409 7.987 469 2HA GLY 55 2HA GLY 55 -18.456 -16.434 8.744 470 H VAL 56 H VAL 56 -18.674 -14.258 7.860 471 HA VAL 56 HA VAL 56 -19.671 -13.040 6.230 472 HB VAL 56 HB VAL 56 -16.809 -13.418 5.452 473 1HG1 VAL 56 3HG1 VAL 56 -18.681 -11.595 3.877 474 2HG1 VAL 56 1HG1 VAL 56 -16.915 -11.573 3.823 475 3HG1 VAL 56 2HG1 VAL 56 -17.759 -12.995 3.256 476 1HG2 VAL 56 1HG2 VAL 56 -17.428 -12.057 7.410 477 2HG2 VAL 56 2HG2 VAL 56 -16.613 -11.113 6.149 478 3HG2 VAL 56 3HG2 VAL 56 -18.373 -10.986 6.346 479 H SER 57 H SER 57 -20.281 -12.807 3.823 480 HA SER 57 HA SER 57 -21.470 -15.272 2.883 481 1HB SER 57 1HB SER 57 -21.518 -12.461 2.250 482 2HB SER 57 2HB SER 57 -21.278 -13.405 0.774 483 HG SER 57 HG SER 57 -23.156 -14.632 1.415 484 HA PRO 58 HA PRO 58 -17.259 -16.265 1.283 485 1HB PRO 58 1HB PRO 58 -17.863 -18.462 -0.309 486 2HB PRO 58 2HB PRO 58 -17.627 -18.514 1.460 487 1HG PRO 58 1HG PRO 58 -20.244 -18.363 -0.050 488 2HG PRO 58 2HG PRO 58 -19.827 -19.416 1.330 489 1HD PRO 58 1HD PRO 58 -21.230 -17.129 1.675 490 2HD PRO 58 2HD PRO 58 -19.987 -17.606 2.869 491 H SER 59 H SER 59 -20.133 -16.228 -0.824 492 HA SER 59 HA SER 59 -18.939 -15.592 -3.304 493 1HB SER 59 1HB SER 59 -21.348 -14.523 -3.541 494 2HB SER 59 2HB SER 59 -21.151 -16.275 -3.391 495 HG SER 59 HG SER 59 -22.734 -15.481 -1.922 496 H GLN 60 H GLN 60 -19.345 -13.657 -0.434 497 HA GLN 60 HA GLN 60 -18.679 -11.158 -1.929 498 1HB GLN 60 1HB GLN 60 -20.166 -11.370 0.711 499 2HB GLN 60 2HB GLN 60 -19.813 -9.912 -0.210 500 1HG GLN 60 1HG GLN 60 -21.256 -10.671 -2.052 501 2HG GLN 60 2HG GLN 60 -21.673 -12.144 -1.173 502 1HE2 GLN 60 2HE2 GLN 60 -23.997 -10.480 0.969 503 2HE2 GLN 60 1HE2 GLN 60 -23.178 -11.997 0.688 504 H ALA 61 H ALA 61 -16.739 -13.208 -1.077 505 HA ALA 61 HA ALA 61 -15.499 -12.284 1.319 506 1HB ALA 61 1HB ALA 61 -14.880 -14.412 0.246 507 2HB ALA 61 2HB ALA 61 -14.101 -13.498 -1.079 508 3HB ALA 61 3HB ALA 61 -13.505 -13.362 0.591 509 H GLN 62 H GLN 62 -15.847 -10.652 -1.696 510 HA GLN 62 HA GLN 62 -13.611 -8.836 -1.253 511 1HB GLN 62 1HB GLN 62 -15.783 -9.107 -3.252 512 2HB GLN 62 2HB GLN 62 -15.197 -7.473 -2.977 513 1HG GLN 62 1HG GLN 62 -13.349 -9.807 -3.619 514 2HG GLN 62 2HG GLN 62 -14.031 -8.712 -4.829 515 1HE2 GLN 62 2HE2 GLN 62 -10.665 -7.545 -2.990 516 2HE2 GLN 62 1HE2 GLN 62 -11.187 -9.202 -3.250 517 H GLY 63 H GLY 63 -16.414 -9.313 0.529 518 1HA GLY 63 1HA GLY 63 -17.256 -6.527 0.730 519 2HA GLY 63 2HA GLY 63 -17.943 -7.948 1.507 520 H LEU 64 H LEU 64 -14.520 -7.714 2.139 521 HA LEU 64 HA LEU 64 -15.313 -7.667 4.916 522 1HB LEU 64 1HB LEU 64 -12.500 -7.561 3.846 523 2HB LEU 64 2HB LEU 64 -12.993 -8.042 5.457 524 HG LEU 64 HG LEU 64 -13.084 -10.145 4.941 525 1HD1 LEU 64 3HD1 LEU 64 -15.380 -9.891 4.113 526 2HD1 LEU 64 1HD1 LEU 64 -14.742 -9.682 2.468 527 3HD1 LEU 64 2HD1 LEU 64 -14.442 -11.191 3.330 528 1HD2 LEU 64 3HD2 LEU 64 -11.169 -9.485 3.514 529 2HD2 LEU 64 1HD2 LEU 64 -12.052 -10.856 2.804 530 3HD2 LEU 64 2HD2 LEU 64 -12.270 -9.212 2.156 531 H GLY 65 H GLY 65 -15.545 -5.081 3.414 532 1HA GLY 65 1HA GLY 65 -15.258 -2.816 3.693 533 2HA GLY 65 2HA GLY 65 -15.744 -3.314 5.311 534 H SER 66 H SER 66 -13.778 -3.980 6.752 535 HA SER 66 HA SER 66 -11.984 -1.676 6.904 536 1HB SER 66 1HB SER 66 -13.049 -3.801 8.707 537 2HB SER 66 2HB SER 66 -11.346 -3.467 8.893 538 HG SER 66 HG SER 66 -12.716 -2.047 10.139 539 H ASN 67 H ASN 67 -11.818 -5.249 6.656 540 HA ASN 67 HA ASN 67 -8.915 -5.232 6.613 541 1HB ASN 67 1HB ASN 67 -10.824 -7.551 6.103 542 2HB ASN 67 2HB ASN 67 -9.113 -7.647 6.502 543 1HD2 ASN 67 2HD2 ASN 67 -10.010 -8.107 9.894 544 2HD2 ASN 67 1HD2 ASN 67 -9.048 -8.616 8.520 545 H LEU 68 H LEU 68 -11.478 -5.349 4.271 546 HA LEU 68 HA LEU 68 -10.928 -7.000 2.369 547 1HB LEU 68 1HB LEU 68 -12.706 -5.414 2.162 548 2HB LEU 68 2HB LEU 68 -11.578 -4.069 1.881 549 HG LEU 68 HG LEU 68 -10.829 -5.219 -0.258 550 1HD1 LEU 68 3HD1 LEU 68 -12.925 -7.235 0.650 551 2HD1 LEU 68 1HD1 LEU 68 -12.416 -7.040 -1.040 552 3HD1 LEU 68 2HD1 LEU 68 -11.252 -7.535 0.180 553 1HD2 LEU 68 1HD2 LEU 68 -13.746 -4.552 -0.062 554 2HD2 LEU 68 2HD2 LEU 68 -12.380 -3.464 -0.409 555 3HD2 LEU 68 3HD2 LEU 68 -12.791 -4.744 -1.557 556 H VAL 69 H VAL 69 -9.304 -7.598 1.118 557 HA VAL 69 HA VAL 69 -7.033 -5.865 0.407 558 HB VAL 69 HB VAL 69 -6.618 -8.194 1.043 559 1HG1 VAL 69 2HG1 VAL 69 -8.571 -8.887 -1.130 560 2HG1 VAL 69 3HG1 VAL 69 -7.243 -9.938 -0.722 561 3HG1 VAL 69 1HG1 VAL 69 -8.418 -9.481 0.520 562 1HG2 VAL 69 1HG2 VAL 69 -5.946 -7.562 -1.851 563 2HG2 VAL 69 2HG2 VAL 69 -5.052 -7.067 -0.411 564 3HG2 VAL 69 3HG2 VAL 69 -5.165 -8.784 -0.830 565 H THR 70 H THR 70 -6.962 -4.706 -1.439 566 HA THR 70 HA THR 70 -8.756 -5.368 -3.745 567 HB THR 70 HB THR 70 -8.328 -3.011 -4.371 568 HG1 THR 70 1HG THR 70 -6.349 -2.941 -3.003 569 1HG2 THR 70 1HG2 THR 70 -10.350 -3.574 -2.995 570 2HG2 THR 70 2HG2 THR 70 -9.429 -3.228 -1.518 571 3HG2 THR 70 3HG2 THR 70 -9.755 -1.930 -2.683 572 H GLU 71 H GLU 71 -7.607 -5.595 -5.808 573 HA GLU 71 HA GLU 71 -5.177 -6.766 -5.755 574 1HB GLU 71 1HB GLU 71 -4.994 -6.420 -8.153 575 2HB GLU 71 2HB GLU 71 -6.537 -7.049 -7.599 576 1HG GLU 71 1HG GLU 71 -7.140 -5.526 -9.189 577 2HG GLU 71 2HG GLU 71 -7.452 -4.661 -7.674 578 H VAL 72 H VAL 72 -5.455 -3.227 -6.472 579 HA VAL 72 HA VAL 72 -2.734 -2.940 -6.812 580 HB VAL 72 HB VAL 72 -4.534 -1.101 -7.075 581 1HG1 VAL 72 3HG1 VAL 72 -5.264 -1.015 -4.648 582 2HG1 VAL 72 1HG1 VAL 72 -3.654 -0.404 -4.213 583 3HG1 VAL 72 2HG1 VAL 72 -4.694 0.552 -5.256 584 1HG2 VAL 72 1HG2 VAL 72 -2.121 -0.796 -7.576 585 2HG2 VAL 72 2HG2 VAL 72 -2.872 0.675 -6.952 586 3HG2 VAL 72 3HG2 VAL 72 -1.836 -0.297 -5.901 587 H ARG 73 H ARG 73 -4.309 -3.536 -3.677 588 HA ARG 73 HA ARG 73 -2.172 -2.443 -2.090 589 1HB ARG 73 1HB ARG 73 -4.337 -4.502 -1.536 590 2HB ARG 73 2HB ARG 73 -3.141 -4.025 -0.361 591 1HG ARG 73 1HG ARG 73 -4.604 -1.813 -1.841 592 2HG ARG 73 2HG ARG 73 -5.504 -2.657 -0.621 593 1HD ARG 73 1HD ARG 73 -2.832 -1.268 -0.260 594 2HD ARG 73 2HD ARG 73 -4.432 -0.710 0.334 595 HE ARG 73 HE ARG 73 -3.787 -3.272 1.367 596 1HH1 ARG 73 2HH2 ARG 73 -2.440 -0.028 1.594 597 2HH1 ARG 73 1HH2 ARG 73 -2.172 -0.068 3.296 598 1HH2 ARG 73 2HH1 ARG 73 -3.649 -3.304 3.671 599 2HH2 ARG 73 1HH1 ARG 73 -3.137 -1.889 4.536 600 H VAL 74 H VAL 74 -2.822 -5.630 -3.616 601 HA VAL 74 HA VAL 74 -0.510 -6.961 -2.552 602 HB VAL 74 HB VAL 74 -2.004 -7.288 -5.184 603 1HG1 VAL 74 3HG1 VAL 74 0.414 -8.727 -4.058 604 2HG1 VAL 74 1HG1 VAL 74 -0.635 -9.358 -5.336 605 3HG1 VAL 74 2HG1 VAL 74 0.260 -7.906 -5.636 606 1HG2 VAL 74 2HG2 VAL 74 -3.235 -7.984 -3.127 607 2HG2 VAL 74 3HG2 VAL 74 -2.813 -9.346 -4.172 608 3HG2 VAL 74 1HG2 VAL 74 -1.870 -9.045 -2.702 609 H TYR 75 H TYR 75 -1.174 -5.106 -5.557 610 HA TYR 75 HA TYR 75 1.488 -5.197 -6.387 611 1HB TYR 75 1HB TYR 75 -0.689 -4.427 -7.698 612 2HB TYR 75 2HB TYR 75 -0.328 -2.861 -7.021 613 HD1 TYR 75 2HD TYR 75 2.135 -5.433 -8.393 614 HD2 TYR 75 1HD TYR 75 0.282 -1.587 -8.871 615 HE1 TYR 75 2HE TYR 75 4.036 -4.700 -9.763 616 HE2 TYR 75 1HE TYR 75 2.184 -0.857 -10.303 617 HH TYR 75 HH TYR 75 4.073 -1.701 -11.487 618 H ASN 76 H ASN 76 0.042 -3.174 -4.027 619 HA ASN 76 HA ASN 76 1.848 -0.968 -4.037 620 1HB ASN 76 1HB ASN 76 -0.510 -0.976 -3.168 621 2HB ASN 76 2HB ASN 76 0.034 -1.941 -1.781 622 1HD2 ASN 76 2HD2 ASN 76 0.249 1.984 -1.721 623 2HD2 ASN 76 1HD2 ASN 76 -0.858 1.022 -2.630 624 H TRP 77 H TRP 77 1.383 -3.779 -1.823 625 HA TRP 77 HA TRP 77 3.665 -3.074 -0.226 626 1HB TRP 77 1HB TRP 77 3.225 -4.827 1.075 627 2HB TRP 77 2HB TRP 77 1.666 -4.814 0.258 628 HD1 TRP 77 HD TRP 77 1.420 -6.609 -1.717 629 HE1 TRP 77 1HE TRP 77 2.601 -8.821 -2.309 630 HE3 TRP 77 3HE TRP 77 5.246 -6.393 1.663 631 HZ2 TRP 77 2HZ TRP 77 4.601 -10.497 -1.066 632 HZ3 TRP 77 3HZ TRP 77 6.205 -8.558 2.387 633 HH2 TRP 77 HH TRP 77 6.115 -10.522 0.928 634 H PHE 78 H PHE 78 3.194 -5.331 -3.051 635 HA PHE 78 HA PHE 78 5.924 -6.119 -3.096 636 1HB PHE 78 1HB PHE 78 3.819 -6.000 -5.283 637 2HB PHE 78 2HB PHE 78 5.473 -6.515 -5.584 638 HD1 PHE 78 2HD PHE 78 6.417 -8.268 -3.698 639 HD2 PHE 78 1HD PHE 78 2.519 -7.978 -5.475 640 HE1 PHE 78 2HE PHE 78 6.103 -10.694 -3.500 641 HE2 PHE 78 1HE PHE 78 2.229 -10.392 -5.222 642 HZ PHE 78 HZ PHE 78 4.007 -11.768 -4.099 643 H ALA 79 H ALA 79 4.300 -3.419 -4.838 644 HA ALA 79 HA ALA 79 6.576 -2.471 -6.197 645 1HB ALA 79 2HB ALA 79 4.178 -0.915 -5.150 646 2HB ALA 79 3HB ALA 79 5.387 -0.287 -6.282 647 3HB ALA 79 1HB ALA 79 4.367 -1.643 -6.769 648 H ASN 80 H ASN 80 5.693 -2.152 -2.787 649 HA ASN 80 HA ASN 80 8.019 -0.394 -2.297 650 1HB ASN 80 1HB ASN 80 6.322 -0.188 -0.644 651 2HB ASN 80 2HB ASN 80 6.223 -1.930 -0.386 652 1HD2 ASN 80 2HD2 ASN 80 8.667 -1.691 2.174 653 2HD2 ASN 80 1HD2 ASN 80 7.027 -2.159 1.808 654 H ARG 81 H ARG 81 7.271 -3.650 -1.081 655 HA ARG 81 HA ARG 81 9.617 -4.315 -0.122 656 1HB ARG 81 1HB ARG 81 7.345 -5.579 -0.187 657 2HB ARG 81 2HB ARG 81 7.940 -6.370 -1.643 658 1HG ARG 81 1HG ARG 81 8.225 -7.751 0.352 659 2HG ARG 81 2HG ARG 81 9.815 -7.330 -0.312 660 1HD ARG 81 1HD ARG 81 10.266 -5.761 1.361 661 2HD ARG 81 2HD ARG 81 8.568 -5.597 1.842 662 HE ARG 81 HE ARG 81 9.389 -8.279 2.364 663 1HH1 ARG 81 2HH2 ARG 81 10.233 -4.945 3.330 664 2HH1 ARG 81 1HH2 ARG 81 10.301 -5.297 5.020 665 1HH2 ARG 81 2HH1 ARG 81 9.732 -8.811 4.637 666 2HH2 ARG 81 1HH1 ARG 81 10.242 -7.544 5.727 667 H ARG 82 H ARG 82 8.768 -5.035 -3.531 668 HA ARG 82 HA ARG 82 11.258 -6.342 -4.056 669 1HB ARG 82 1HB ARG 82 10.497 -6.604 -6.225 670 2HB ARG 82 2HB ARG 82 9.061 -6.635 -5.236 671 1HG ARG 82 1HG ARG 82 8.279 -5.306 -6.884 672 2HG ARG 82 2HG ARG 82 8.972 -4.001 -5.908 673 1HD ARG 82 1HD ARG 82 10.942 -3.894 -7.302 674 2HD ARG 82 2HD ARG 82 10.580 -5.465 -8.040 675 HE ARG 82 HE ARG 82 8.417 -3.960 -8.790 676 1HH1 ARG 82 2HH2 ARG 82 11.922 -4.085 -9.297 677 2HH1 ARG 82 1HH2 ARG 82 11.935 -3.056 -10.680 678 1HH2 ARG 82 2HH1 ARG 82 8.310 -3.057 -10.786 679 2HH2 ARG 82 1HH1 ARG 82 9.700 -2.525 -11.688 680 H LYS 83 H LYS 83 10.228 -2.985 -4.150 681 HA LYS 83 HA LYS 83 12.703 -2.056 -5.371 682 1HB LYS 83 1HB LYS 83 10.424 -0.895 -5.666 683 2HB LYS 83 2HB LYS 83 10.532 -0.436 -3.968 684 1HG LYS 83 1HG LYS 83 11.563 1.438 -4.649 685 2HG LYS 83 2HG LYS 83 12.983 0.448 -4.899 686 1HD LYS 83 1HD LYS 83 12.754 1.602 -6.888 687 2HD LYS 83 2HD LYS 83 12.126 -0.008 -7.272 688 1HE LYS 83 1HE LYS 83 9.802 0.822 -7.076 689 2HE LYS 83 2HE LYS 83 10.379 2.386 -6.470 690 1HZ LYS 83 1HZ LYS 83 10.929 1.368 -9.189 691 2HZ LYS 83 2HZ LYS 83 9.754 2.440 -8.777 692 3HZ LYS 83 3HZ LYS 83 11.327 2.853 -8.585 693 H GLU 84 H GLU 84 11.372 -2.557 -2.139 694 HA GLU 84 HA GLU 84 13.324 -1.194 -0.614 695 1HB GLU 84 1HB GLU 84 11.137 -2.522 0.066 696 2HB GLU 84 2HB GLU 84 12.229 -3.920 0.162 697 1HG GLU 84 1HG GLU 84 13.637 -2.598 1.742 698 2HG GLU 84 2HG GLU 84 12.352 -1.350 1.740 699 H GLU 85 H GLU 85 13.233 -4.329 -2.267 700 HA GLU 85 HA GLU 85 15.867 -5.201 -1.403 701 1HB GLU 85 1HB GLU 85 14.094 -6.784 -2.176 702 2HB GLU 85 2HB GLU 85 14.248 -6.119 -3.804 703 1HG GLU 85 1HG GLU 85 16.736 -6.752 -3.710 704 2HG GLU 85 2HG GLU 85 16.378 -7.575 -2.192 705 H ALA 86 H ALA 86 14.627 -3.906 -4.560 706 HA ALA 86 HA ALA 86 17.078 -3.765 -5.867 707 1HB ALA 86 1HB ALA 86 14.874 -3.279 -6.934 708 2HB ALA 86 2HB ALA 86 14.844 -1.706 -6.103 709 3HB ALA 86 3HB ALA 86 16.102 -2.051 -7.297 710 H PHE 87 H PHE 87 15.664 -1.421 -3.682 711 HA PHE 87 HA PHE 87 17.525 0.693 -3.792 712 1HB PHE 87 1HB PHE 87 15.313 0.872 -2.805 713 2HB PHE 87 2HB PHE 87 15.730 -0.271 -1.549 714 HD1 PHE 87 1HD PHE 87 16.546 3.133 -2.915 715 HD2 PHE 87 2HD PHE 87 16.848 0.434 0.453 716 HE1 PHE 87 1HE PHE 87 17.244 5.002 -1.469 717 HE2 PHE 87 2HE PHE 87 17.615 2.302 1.862 718 HZ PHE 87 HZ PHE 87 17.803 4.590 0.922 719 H ARG 88 H ARG 88 17.166 -1.858 -1.305 720 HA ARG 88 HA ARG 88 19.516 -1.520 0.087 721 1HB ARG 88 1HB ARG 88 17.835 -2.983 0.961 722 2HB ARG 88 2HB ARG 88 17.755 -3.896 -0.540 723 1HG ARG 88 1HG ARG 88 18.704 -5.355 0.937 724 2HG ARG 88 2HG ARG 88 20.032 -4.881 -0.079 725 1HD ARG 88 1HD ARG 88 19.419 -4.198 2.791 726 2HD ARG 88 2HD ARG 88 20.892 -4.909 2.089 727 HE ARG 88 HE ARG 88 21.064 -2.477 1.016 728 1HH1 ARG 88 2HH2 ARG 88 20.936 -3.763 4.290 729 2HH1 ARG 88 1HH2 ARG 88 20.951 -2.202 5.072 730 1HH2 ARG 88 2HH1 ARG 88 21.136 -0.223 2.219 731 2HH2 ARG 88 1HH1 ARG 88 21.941 -0.393 3.720 732 H HIS 89 H HIS 89 19.014 -3.287 -2.913 733 HA HIS 89 HA HIS 89 21.277 -4.950 -2.851 734 1HB HIS 89 1HB HIS 89 19.240 -5.415 -4.050 735 2HB HIS 89 2HB HIS 89 19.481 -4.016 -5.100 736 HD1 HIS 89 1HD HIS 89 22.623 -4.777 -5.823 737 HD2 HIS 89 2HD HIS 89 19.056 -6.989 -6.138 738 HE1 HIS 89 1HE HIS 89 22.826 -6.185 -7.927 739 H LYS 90 H LYS 90 20.720 -1.723 -4.242 740 HA LYS 90 HA LYS 90 23.514 -1.711 -5.384 741 1HB LYS 90 1HB LYS 90 21.103 -0.018 -5.872 742 2HB LYS 90 2HB LYS 90 22.717 0.377 -6.514 743 1HG LYS 90 1HG LYS 90 22.730 -1.781 -7.751 744 2HG LYS 90 2HG LYS 90 21.211 -2.239 -6.982 745 1HD LYS 90 1HD LYS 90 20.625 -1.527 -9.157 746 2HD LYS 90 2HD LYS 90 20.049 -0.314 -8.019 747 1HE LYS 90 1HE LYS 90 20.936 0.820 -9.932 748 2HE LYS 90 2HE LYS 90 22.060 1.132 -8.615 749 1HZ LYS 90 2HZ LYS 90 22.460 -0.978 -10.672 750 2HZ LYS 90 3HZ LYS 90 23.071 0.543 -10.782 751 3HZ LYS 90 1HZ LYS 90 23.559 -0.482 -9.594 752 H LEU 91 H LEU 91 21.501 -0.265 -2.811 753 HA LEU 91 HA LEU 91 23.688 1.232 -1.892 754 1HB LEU 91 1HB LEU 91 20.912 0.703 -0.918 755 2HB LEU 91 2HB LEU 91 22.085 1.384 0.180 756 HG LEU 91 HG LEU 91 22.317 3.361 -0.893 757 1HD1 LEU 91 3HD1 LEU 91 21.266 2.215 -3.481 758 2HD1 LEU 91 1HD1 LEU 91 21.497 3.939 -3.167 759 3HD1 LEU 91 2HD1 LEU 91 22.887 2.858 -3.172 760 1HD2 LEU 91 2HD2 LEU 91 20.053 3.061 0.026 761 2HD2 LEU 91 3HD2 LEU 91 20.070 4.212 -1.321 762 3HD2 LEU 91 1HD2 LEU 91 19.486 2.550 -1.580 763 H ALA 92 H ALA 92 23.669 0.456 0.835 764 HA ALA 92 HA ALA 92 24.926 -0.818 2.174 765 1HB ALA 92 1HB ALA 92 23.427 -2.754 1.773 766 2HB ALA 92 2HB ALA 92 24.417 -3.212 0.376 767 3HB ALA 92 3HB ALA 92 25.118 -3.207 2.004 768 H MET 93 H MET 93 25.786 0.811 0.289 769 HA MET 93 HA MET 93 28.391 0.871 0.219 770 1HB MET 93 1HB MET 93 29.255 0.032 -1.968 771 2HB MET 93 2HB MET 93 28.650 -1.281 -0.987 772 1HG MET 93 1HG MET 93 26.432 -1.097 -2.284 773 2HG MET 93 2HG MET 93 27.224 0.145 -3.245 774 1HE MET 93 3HE MET 93 28.511 -3.365 -1.934 775 2HE MET 93 1HE MET 93 26.830 -3.627 -2.464 776 3HE MET 93 2HE MET 93 28.183 -4.345 -3.373 777 H ASP 94 H ASP 94 25.701 2.187 -0.470 778 HA ASP 94 HA ASP 94 24.758 3.702 -1.905 779 1HB ASP 94 1HB ASP 94 27.120 5.050 -0.565 780 2HB ASP 94 2HB ASP 94 25.918 5.943 -1.494 781 H THR 95 H THR 95 25.526 2.163 -3.762 782 HA THR 95 HA THR 95 27.596 3.055 -5.431 783 HB THR 95 HB THR 95 24.998 1.699 -6.268 784 HG1 THR 95 1HG THR 95 25.957 0.421 -4.788 785 1HG2 THR 95 3HG2 THR 95 26.624 2.551 -8.166 786 2HG2 THR 95 1HG2 THR 95 27.653 1.214 -7.623 787 3HG2 THR 95 2HG2 THR 95 26.021 0.887 -8.183 788 H TYR 96 H TYR 96 24.142 4.079 -5.374 789 HA TYR 96 HA TYR 96 24.788 6.513 -6.813 790 1HB TYR 96 1HB TYR 96 23.088 4.288 -8.019 791 2HB TYR 96 2HB TYR 96 22.838 5.963 -8.470 792 HD1 TYR 96 2HD TYR 96 25.039 7.324 -9.113 793 HD2 TYR 96 1HD TYR 96 24.490 3.067 -9.527 794 HE1 TYR 96 2HE TYR 96 26.900 7.230 -10.739 795 HE2 TYR 96 1HE TYR 96 26.342 3.001 -11.184 796 HH TYR 96 HH TYR 96 27.901 4.251 -12.401 797 H LYS 97 H LYS 97 22.907 7.835 -6.998 798 HA LYS 97 HA LYS 97 21.636 8.421 -4.680 799 1HB LYS 97 1HB LYS 97 20.233 9.884 -6.055 800 2HB LYS 97 2HB LYS 97 21.912 9.895 -6.589 801 1HG LYS 97 1HG LYS 97 21.028 8.033 -8.344 802 2HG LYS 97 2HG LYS 97 19.452 8.691 -7.892 803 1HD LYS 97 1HD LYS 97 19.983 9.849 -9.794 804 2HD LYS 97 2HD LYS 97 20.423 10.985 -8.536 805 1HE LYS 97 1HE LYS 97 22.355 9.157 -10.075 806 2HE LYS 97 2HE LYS 97 22.006 10.846 -10.460 807 1HZ LYS 97 3HZ LYS 97 22.926 11.437 -8.261 808 2HZ LYS 97 1HZ LYS 97 23.448 9.912 -8.045 809 3HZ LYS 97 2HZ LYS 97 24.032 10.784 -9.275 810 H LEU 98 H LEU 98 20.276 6.413 -7.249 811 HA LEU 98 HA LEU 98 18.377 5.201 -7.428 812 1HB LEU 98 1HB LEU 98 20.196 4.000 -6.235 813 2HB LEU 98 2HB LEU 98 19.416 4.361 -4.695 814 HG LEU 98 HG LEU 98 17.484 2.938 -5.297 815 1HD1 LEU 98 1HD1 LEU 98 18.934 2.523 -7.944 816 2HD1 LEU 98 2HD1 LEU 98 17.561 1.557 -7.362 817 3HD1 LEU 98 3HD1 LEU 98 17.326 3.268 -7.722 818 1HD2 LEU 98 1HD2 LEU 98 20.273 1.878 -5.720 819 2HD2 LEU 98 2HD2 LEU 98 19.301 1.873 -4.236 820 3HD2 LEU 98 3HD2 LEU 98 18.869 0.793 -5.586 821 H ASN 99 H ASN 99 17.307 7.525 -6.908 822 HA ASN 99 HA ASN 99 14.952 6.833 -5.274 823 1HB ASN 99 2HB ASN 99 16.595 9.379 -4.967 824 2HB ASN 99 3HB ASN 99 14.841 9.354 -4.754 825 1HD2 ASN 99 2HD2 ASN 99 17.064 7.393 -1.895 826 2HD2 ASN 99 1HD2 ASN 99 17.735 7.522 -3.512 No H/Q in entry = 826 Start of MODEL 9 1 1H MET 0 1H MET 0 -13.026 8.673 -3.965 2 2H MET 0 2H MET 0 -13.508 8.408 -2.388 3 3H MET 0 3H MET 0 -13.776 9.871 -3.104 4 HA MET 0 HA MET 0 -11.667 10.557 -3.006 5 1HB MET 0 2HB MET 0 -12.495 10.271 -0.664 6 2HB MET 0 3HB MET 0 -11.827 8.629 -0.652 7 1HG MET 0 2HG MET 0 -9.540 9.554 -1.016 8 2HG MET 0 3HG MET 0 -10.219 11.177 -1.085 9 1HE MET 0 1HE MET 0 -9.517 8.053 1.068 10 2HE MET 0 2HE MET 0 -9.922 8.608 2.714 11 3HE MET 0 3HE MET 0 -11.209 8.338 1.518 12 H ALA 1 H ALA 1 -9.866 10.167 -4.150 13 HA ALA 1 HA ALA 1 -8.690 7.412 -4.132 14 1HB ALA 1 2HB ALA 1 -9.527 8.728 -6.347 15 2HB ALA 1 3HB ALA 1 -7.931 9.450 -6.196 16 3HB ALA 1 1HB ALA 1 -8.093 7.698 -6.320 17 H ARG 2 H ARG 2 -7.835 10.825 -4.618 18 HA ARG 2 HA ARG 2 -6.019 12.040 -4.201 19 1HB ARG 2 1HB ARG 2 -5.967 10.615 -1.533 20 2HB ARG 2 2HB ARG 2 -5.188 12.168 -1.908 21 1HG ARG 2 1HG ARG 2 -7.522 13.063 -2.487 22 2HG ARG 2 2HG ARG 2 -8.153 11.581 -1.768 23 1HD ARG 2 1HD ARG 2 -6.594 13.824 -0.427 24 2HD ARG 2 2HD ARG 2 -8.225 13.253 -0.056 25 HE ARG 2 HE ARG 2 -5.842 11.450 0.285 26 1HH1 ARG 2 2HH2 ARG 2 -8.113 13.585 2.045 27 2HH1 ARG 2 1HH2 ARG 2 -7.564 13.006 3.572 28 1HH2 ARG 2 2HH1 ARG 2 -5.258 10.718 2.187 29 2HH2 ARG 2 1HH1 ARG 2 -6.205 11.025 3.648 30 H ILE 3 H ILE 3 -3.658 12.026 -3.432 31 HA ILE 3 HA ILE 3 -2.293 9.921 -4.873 32 HB ILE 3 HB ILE 3 -0.357 11.202 -4.617 33 1HG1 ILE 3 1HG1 ILE 3 -0.221 11.760 -2.304 34 2HG1 ILE 3 2HG1 ILE 3 -0.122 13.219 -3.271 35 1HG2 ILE 3 1HG2 ILE 3 -2.071 12.052 -6.162 36 2HG2 ILE 3 2HG2 ILE 3 -2.610 13.212 -4.930 37 3HG2 ILE 3 3HG2 ILE 3 -0.970 13.308 -5.577 38 1HD1 ILE 3 2HD1 ILE 3 -2.512 13.741 -2.700 39 2HD1 ILE 3 3HD1 ILE 3 -2.529 12.302 -1.643 40 3HD1 ILE 3 1HD1 ILE 3 -1.440 13.645 -1.299 41 H ASP 4 H ASP 4 -0.157 9.193 -3.854 42 HA ASP 4 HA ASP 4 -0.334 8.553 -0.991 43 1HB ASP 4 1HB ASP 4 1.180 6.574 -1.534 44 2HB ASP 4 2HB ASP 4 -0.544 6.432 -1.876 45 HA PRO 5 HA PRO 5 3.595 10.774 -1.505 46 1HB PRO 5 1HB PRO 5 4.287 11.076 1.106 47 2HB PRO 5 2HB PRO 5 3.004 12.031 0.332 48 1HG PRO 5 1HG PRO 5 2.677 9.569 2.054 49 2HG PRO 5 2HG PRO 5 1.784 11.108 2.169 50 1HD PRO 5 1HD PRO 5 0.804 8.910 0.843 51 2HD PRO 5 2HD PRO 5 0.452 10.576 0.292 52 H THR 6 H THR 6 2.995 7.839 0.419 53 HA THR 6 HA THR 6 5.802 6.896 0.021 54 HB THR 6 HB THR 6 5.627 6.258 2.489 55 HG1 THR 6 1HG THR 6 4.022 7.914 3.480 56 1HG2 THR 6 2HG2 THR 6 6.948 8.212 1.737 57 2HG2 THR 6 3HG2 THR 6 5.516 9.251 1.874 58 3HG2 THR 6 1HG2 THR 6 6.197 8.503 3.313 59 H LYS 7 H LYS 7 3.673 6.113 -1.523 60 HA LYS 7 HA LYS 7 2.231 4.412 -2.061 61 1HB LYS 7 1HB LYS 7 4.741 4.297 -2.815 62 2HB LYS 7 2HB LYS 7 4.820 2.848 -1.836 63 1HG LYS 7 1HG LYS 7 4.459 2.393 -4.198 64 2HG LYS 7 2HG LYS 7 3.067 1.814 -3.275 65 1HD LYS 7 1HD LYS 7 1.671 3.584 -4.032 66 2HD LYS 7 2HD LYS 7 3.025 4.596 -4.523 67 1HE LYS 7 1HE LYS 7 2.178 1.999 -5.925 68 2HE LYS 7 2HE LYS 7 1.691 3.628 -6.398 69 1HZ LYS 7 1HZ LYS 7 4.081 4.148 -6.664 70 2HZ LYS 7 2HZ LYS 7 4.425 2.534 -6.520 71 3HZ LYS 7 3HZ LYS 7 3.480 3.097 -7.737 72 H LYS 8 H LYS 8 1.111 4.476 0.023 73 HA LYS 8 HA LYS 8 1.718 3.130 2.273 74 1HB LYS 8 1HB LYS 8 -0.643 3.195 2.919 75 2HB LYS 8 2HB LYS 8 0.004 4.711 2.311 76 1HG LYS 8 1HG LYS 8 -1.965 2.878 0.879 77 2HG LYS 8 2HG LYS 8 -2.283 4.410 1.706 78 1HD LYS 8 1HD LYS 8 -0.606 5.460 0.066 79 2HD LYS 8 2HD LYS 8 -0.774 3.956 -0.878 80 1HE LYS 8 1HE LYS 8 -2.412 5.057 -1.941 81 2HE LYS 8 2HE LYS 8 -3.411 4.543 -0.586 82 1HZ LYS 8 3HZ LYS 8 -2.038 7.168 -0.822 83 2HZ LYS 8 1HZ LYS 8 -3.592 6.887 -1.152 84 3HZ LYS 8 2HZ LYS 8 -3.043 6.745 0.405 85 H GLY 9 H GLY 9 2.573 1.108 2.090 86 1HA GLY 9 1HA GLY 9 1.509 -1.268 1.112 87 2HA GLY 9 2HA GLY 9 2.453 -1.133 2.602 88 H ARG 10 H ARG 10 0.886 0.192 4.341 89 HA ARG 10 HA ARG 10 -1.727 -1.274 4.512 90 1HB ARG 10 1HB ARG 10 0.128 -0.371 6.748 91 2HB ARG 10 2HB ARG 10 -1.526 -0.975 6.952 92 1HG ARG 10 1HG ARG 10 -0.870 -3.113 5.872 93 2HG ARG 10 2HG ARG 10 0.810 -2.527 5.755 94 1HD ARG 10 1HD ARG 10 0.861 -2.284 8.247 95 2HD ARG 10 2HD ARG 10 -0.782 -2.931 8.325 96 HE ARG 10 HE ARG 10 1.423 -4.541 7.052 97 1HH1 ARG 10 2HH2 ARG 10 -0.426 -4.128 10.052 98 2HH1 ARG 10 1HH2 ARG 10 -0.539 -5.842 10.360 99 1HH2 ARG 10 2HH1 ARG 10 1.762 -6.547 7.698 100 2HH2 ARG 10 1HH1 ARG 10 1.048 -7.212 9.173 101 H ARG 11 H ARG 11 -3.204 0.218 3.817 102 HA ARG 11 HA ARG 11 -3.174 2.944 4.392 103 1HB ARG 11 1HB ARG 11 -4.850 1.241 2.985 104 2HB ARG 11 2HB ARG 11 -5.844 1.624 4.388 105 1HG ARG 11 1HG ARG 11 -5.202 4.110 3.857 106 2HG ARG 11 2HG ARG 11 -4.621 3.485 2.314 107 1HD ARG 11 1HD ARG 11 -6.932 2.510 1.912 108 2HD ARG 11 2HD ARG 11 -7.492 3.303 3.383 109 HE ARG 11 HE ARG 11 -7.259 4.478 0.795 110 1HH1 ARG 11 2HH2 ARG 11 -6.975 5.311 4.213 111 2HH1 ARG 11 1HH2 ARG 11 -6.780 7.003 3.957 112 1HH2 ARG 11 2HH1 ARG 11 -7.385 6.597 0.414 113 2HH2 ARG 11 1HH1 ARG 11 -7.142 7.820 1.655 114 H ASN 12 H ASN 12 -5.265 3.725 5.838 115 HA ASN 12 HA ASN 12 -4.695 3.139 8.595 116 1HB ASN 12 1HB ASN 12 -6.642 4.569 9.052 117 2HB ASN 12 2HB ASN 12 -5.493 5.353 7.972 118 1HD2 ASN 12 2HD2 ASN 12 -9.258 5.347 6.770 119 2HD2 ASN 12 1HD2 ASN 12 -8.729 5.246 8.432 120 H ARG 13 H ARG 13 -7.480 2.475 6.474 121 HA ARG 13 HA ARG 13 -8.915 1.176 8.640 122 1HB ARG 13 1HB ARG 13 -10.667 0.837 6.852 123 2HB ARG 13 2HB ARG 13 -10.275 2.484 7.344 124 1HG ARG 13 1HG ARG 13 -8.892 2.763 5.264 125 2HG ARG 13 2HG ARG 13 -9.410 1.151 4.736 126 1HD ARG 13 1HD ARG 13 -11.235 3.519 5.364 127 2HD ARG 13 2HD ARG 13 -10.712 3.075 3.746 128 HE ARG 13 HE ARG 13 -12.684 1.732 5.467 129 1HH1 ARG 13 2HH2 ARG 13 -10.751 1.421 2.412 130 2HH1 ARG 13 1HH2 ARG 13 -11.326 -0.216 2.205 131 1HH2 ARG 13 2HH1 ARG 13 -14.088 0.274 4.397 132 2HH2 ARG 13 1HH1 ARG 13 -13.406 -0.791 3.176 133 H PHE 14 H PHE 14 -7.869 0.053 5.445 134 HA PHE 14 HA PHE 14 -8.176 -2.791 6.115 135 1HB PHE 14 1HB PHE 14 -8.436 -2.472 3.836 136 2HB PHE 14 2HB PHE 14 -7.309 -1.122 3.760 137 HD1 PHE 14 1HD PHE 14 -4.837 -1.459 3.799 138 HD2 PHE 14 2HD PHE 14 -7.597 -4.771 3.584 139 HE1 PHE 14 1HE PHE 14 -2.979 -2.982 3.180 140 HE2 PHE 14 2HE PHE 14 -5.738 -6.268 2.940 141 HZ PHE 14 HZ PHE 14 -3.523 -5.275 2.434 142 H LYS 15 H LYS 15 -6.438 -4.143 6.689 143 HA LYS 15 HA LYS 15 -3.720 -3.215 6.405 144 1HB LYS 15 1HB LYS 15 -3.110 -3.810 8.774 145 2HB LYS 15 2HB LYS 15 -4.023 -2.307 8.557 146 1HG LYS 15 1HG LYS 15 -6.126 -3.465 9.206 147 2HG LYS 15 2HG LYS 15 -5.222 -4.944 9.533 148 1HD LYS 15 1HD LYS 15 -4.762 -2.231 10.863 149 2HD LYS 15 2HD LYS 15 -5.807 -3.504 11.513 150 1HE LYS 15 1HE LYS 15 -3.940 -5.029 11.810 151 2HE LYS 15 2HE LYS 15 -2.818 -3.921 11.000 152 1HZ LYS 15 1HZ LYS 15 -4.217 -3.296 13.521 153 2HZ LYS 15 2HZ LYS 15 -2.656 -3.808 13.410 154 3HZ LYS 15 3HZ LYS 15 -3.092 -2.382 12.763 155 H TRP 16 H TRP 16 -2.209 -5.020 6.596 156 HA TRP 16 HA TRP 16 -3.337 -7.513 5.614 157 1HB TRP 16 1HB TRP 16 -0.520 -6.810 6.517 158 2HB TRP 16 2HB TRP 16 -1.008 -8.276 5.677 159 HD1 TRP 16 HD TRP 16 0.308 -4.903 4.987 160 HE1 TRP 16 1HE TRP 16 0.181 -4.326 2.486 161 HE3 TRP 16 3HE TRP 16 -2.757 -8.698 3.423 162 HZ2 TRP 16 2HZ TRP 16 -1.183 -5.273 0.181 163 HZ3 TRP 16 3HZ TRP 16 -3.323 -8.906 1.030 164 HH2 TRP 16 HH TRP 16 -2.673 -7.123 -0.578 165 H GLY 17 H GLY 17 -4.056 -9.207 6.876 166 1HA GLY 17 1HA GLY 17 -3.618 -9.132 9.799 167 2HA GLY 17 2HA GLY 17 -4.883 -9.989 8.899 168 HA PRO 18 HA PRO 18 -1.068 -12.330 10.348 169 1HB PRO 18 1HB PRO 18 -2.292 -14.345 11.817 170 2HB PRO 18 2HB PRO 18 -1.832 -12.746 12.460 171 1HG PRO 18 1HG PRO 18 -4.537 -13.609 11.411 172 2HG PRO 18 2HG PRO 18 -4.173 -12.713 12.919 173 1HD PRO 18 1HD PRO 18 -5.007 -11.434 10.701 174 2HD PRO 18 2HD PRO 18 -3.718 -10.718 11.714 175 H ALA 19 H ALA 19 -3.996 -13.585 8.944 176 HA ALA 19 HA ALA 19 -2.607 -16.019 7.919 177 1HB ALA 19 3HB ALA 19 -4.729 -16.449 9.047 178 2HB ALA 19 1HB ALA 19 -5.577 -15.392 7.914 179 3HB ALA 19 2HB ALA 19 -4.798 -16.851 7.315 180 H SER 20 H SER 20 -4.412 -13.039 6.917 181 HA SER 20 HA SER 20 -4.047 -13.027 4.227 182 1HB SER 20 1HB SER 20 -3.069 -10.605 5.610 183 2HB SER 20 2HB SER 20 -4.419 -10.800 4.466 184 HG SER 20 HG SER 20 -5.726 -10.828 6.156 185 H GLN 21 H GLN 21 -1.465 -12.362 6.687 186 HA GLN 21 HA GLN 21 0.620 -11.825 4.901 187 1HB GLN 21 1HB GLN 21 1.077 -13.600 7.298 188 2HB GLN 21 2HB GLN 21 2.231 -12.544 6.490 189 1HG GLN 21 1HG GLN 21 0.044 -11.885 8.404 190 2HG GLN 21 2HG GLN 21 1.756 -11.612 8.592 191 1HE2 GLN 21 2HE2 GLN 21 1.401 -8.855 5.942 192 2HE2 GLN 21 1HE2 GLN 21 2.119 -10.454 5.853 193 H GLN 22 H GLN 22 -0.835 -14.975 5.677 194 HA GLN 22 HA GLN 22 1.459 -16.452 4.608 195 1HB GLN 22 1HB GLN 22 0.173 -17.199 6.608 196 2HB GLN 22 2HB GLN 22 -1.304 -17.328 5.644 197 1HG GLN 22 1HG GLN 22 -0.505 -19.208 4.446 198 2HG GLN 22 2HG GLN 22 1.162 -18.939 4.983 199 1HE2 GLN 22 2HE2 GLN 22 -1.510 -20.814 7.477 200 2HE2 GLN 22 1HE2 GLN 22 -2.094 -19.969 6.054 201 H ILE 23 H ILE 23 -1.036 -14.762 3.140 202 HA ILE 23 HA ILE 23 -0.812 -16.500 0.708 203 HB ILE 23 HB ILE 23 -2.478 -14.078 1.391 204 1HG1 ILE 23 1HG1 ILE 23 -4.320 -15.569 0.779 205 2HG1 ILE 23 2HG1 ILE 23 -3.197 -16.925 0.546 206 1HG2 ILE 23 2HG2 ILE 23 -2.051 -15.477 -1.286 207 2HG2 ILE 23 3HG2 ILE 23 -3.373 -14.340 -0.958 208 3HG2 ILE 23 1HG2 ILE 23 -1.700 -13.782 -0.896 209 1HD1 ILE 23 1HD1 ILE 23 -3.634 -15.404 3.140 210 2HD1 ILE 23 2HD1 ILE 23 -4.508 -16.884 2.671 211 3HD1 ILE 23 3HD1 ILE 23 -2.772 -16.964 2.939 212 H LEU 24 H LEU 24 -0.274 -13.199 1.951 213 HA LEU 24 HA LEU 24 1.162 -12.028 -0.102 214 1HB LEU 24 1HB LEU 24 1.646 -11.866 2.917 215 2HB LEU 24 2HB LEU 24 2.412 -10.842 1.738 216 HG LEU 24 HG LEU 24 -0.523 -10.878 2.389 217 1HD1 LEU 24 2HD1 LEU 24 1.648 -9.611 3.606 218 2HD1 LEU 24 3HD1 LEU 24 1.059 -8.374 2.491 219 3HD1 LEU 24 1HD1 LEU 24 -0.036 -9.107 3.686 220 1HD2 LEU 24 3HD2 LEU 24 1.006 -9.677 0.078 221 2HD2 LEU 24 1HD2 LEU 24 -0.592 -10.452 0.090 222 3HD2 LEU 24 2HD2 LEU 24 -0.377 -8.824 0.756 223 H PHE 25 H PHE 25 2.624 -13.791 2.619 224 HA PHE 25 HA PHE 25 5.266 -13.644 1.631 225 1HB PHE 25 1HB PHE 25 5.939 -15.012 3.386 226 2HB PHE 25 2HB PHE 25 4.579 -14.022 3.918 227 HD1 PHE 25 1HD PHE 25 5.181 -17.525 2.744 228 HD2 PHE 25 2HD PHE 25 3.517 -14.869 5.707 229 HE1 PHE 25 1HE PHE 25 4.530 -19.455 4.109 230 HE2 PHE 25 2HE PHE 25 3.045 -16.809 7.154 231 HZ PHE 25 HZ PHE 25 3.489 -19.114 6.341 232 H GLN 26 H GLN 26 2.732 -16.145 1.455 233 HA GLN 26 HA GLN 26 4.576 -17.924 0.634 234 1HB GLN 26 1HB GLN 26 2.960 -19.548 0.543 235 2HB GLN 26 2HB GLN 26 2.182 -18.338 1.537 236 1HG GLN 26 1HG GLN 26 0.821 -17.631 -0.353 237 2HG GLN 26 2HG GLN 26 1.751 -18.651 -1.461 238 1HE2 GLN 26 2HE2 GLN 26 -0.933 -20.529 1.018 239 2HE2 GLN 26 1HE2 GLN 26 -0.320 -18.938 1.461 240 H ALA 27 H ALA 27 2.716 -15.631 -1.241 241 HA ALA 27 HA ALA 27 3.564 -16.647 -3.871 242 1HB ALA 27 2HB ALA 27 1.476 -15.328 -3.596 243 2HB ALA 27 3HB ALA 27 2.448 -13.947 -3.025 244 3HB ALA 27 1HB ALA 27 2.628 -14.538 -4.694 245 H TYR 28 H TYR 28 4.547 -13.883 -1.700 246 HA TYR 28 HA TYR 28 6.527 -12.865 -3.406 247 1HB TYR 28 1HB TYR 28 5.774 -11.629 -1.549 248 2HB TYR 28 2HB TYR 28 6.160 -12.914 -0.412 249 HD1 TYR 28 2HD TYR 28 8.228 -11.054 -3.000 250 HD2 TYR 28 1HD TYR 28 7.716 -12.191 1.130 251 HE1 TYR 28 2HE TYR 28 10.225 -9.738 -2.384 252 HE2 TYR 28 1HE TYR 28 9.753 -10.931 1.723 253 HH TYR 28 HH TYR 28 11.741 -9.267 -0.713 254 H GLU 29 H GLU 29 6.708 -15.603 -1.254 255 HA GLU 29 HA GLU 29 9.429 -16.370 -1.416 256 1HB GLU 29 1HB GLU 29 7.785 -17.449 0.036 257 2HB GLU 29 2HB GLU 29 6.751 -17.761 -1.327 258 1HG GLU 29 1HG GLU 29 8.823 -19.308 -2.094 259 2HG GLU 29 2HG GLU 29 9.069 -19.338 -0.342 260 H ARG 30 H ARG 30 6.796 -17.752 -3.390 261 HA ARG 30 HA ARG 30 8.719 -18.636 -5.340 262 1HB ARG 30 1HB ARG 30 6.856 -19.874 -6.298 263 2HB ARG 30 2HB ARG 30 6.999 -20.069 -4.551 264 1HG ARG 30 1HG ARG 30 5.113 -18.244 -4.443 265 2HG ARG 30 2HG ARG 30 4.863 -18.644 -6.146 266 1HD ARG 30 1HD ARG 30 3.350 -19.907 -4.889 267 2HD ARG 30 2HD ARG 30 4.561 -21.048 -5.489 268 HE ARG 30 HE ARG 30 5.668 -20.618 -3.119 269 1HH1 ARG 30 2HH2 ARG 30 2.235 -21.112 -3.746 270 2HH1 ARG 30 1HH2 ARG 30 1.823 -21.337 -2.072 271 1HH2 ARG 30 2HH1 ARG 30 5.210 -20.986 -0.991 272 2HH2 ARG 30 1HH1 ARG 30 3.642 -21.533 -0.476 273 H GLN 31 H GLN 31 5.750 -16.669 -5.698 274 HA GLN 31 HA GLN 31 6.544 -15.726 -8.384 275 1HB GLN 31 1HB GLN 31 4.053 -15.450 -6.670 276 2HB GLN 31 2HB GLN 31 4.325 -14.551 -8.168 277 1HG GLN 31 1HG GLN 31 4.307 -16.475 -9.531 278 2HG GLN 31 2HG GLN 31 4.522 -17.565 -8.162 279 1HE2 GLN 31 2HE2 GLN 31 0.758 -16.751 -9.325 280 2HE2 GLN 31 1HE2 GLN 31 2.154 -16.236 -10.253 281 H LYS 32 H LYS 32 8.495 -14.927 -7.137 282 HA LYS 32 HA LYS 32 8.480 -12.754 -5.403 283 1HB LYS 32 1HB LYS 32 10.348 -13.763 -7.537 284 2HB LYS 32 2HB LYS 32 10.666 -12.146 -6.923 285 1HG LYS 32 1HG LYS 32 10.228 -14.418 -4.968 286 2HG LYS 32 2HG LYS 32 11.783 -14.233 -5.776 287 1HD LYS 32 1HD LYS 32 12.002 -11.918 -5.003 288 2HD LYS 32 2HD LYS 32 10.414 -11.990 -4.217 289 1HE LYS 32 1HE LYS 32 11.155 -13.465 -2.521 290 2HE LYS 32 2HE LYS 32 12.585 -13.965 -3.430 291 1HZ LYS 32 1HZ LYS 32 12.287 -11.197 -2.351 292 2HZ LYS 32 2HZ LYS 32 13.096 -12.366 -1.593 293 3HZ LYS 32 3HZ LYS 32 13.585 -11.841 -3.026 294 H ASN 33 H ASN 33 7.697 -12.651 -8.871 295 HA ASN 33 HA ASN 33 7.483 -9.707 -8.724 296 1HB ASN 33 1HB ASN 33 8.416 -9.462 -10.770 297 2HB ASN 33 2HB ASN 33 9.470 -10.694 -10.079 298 1HD2 ASN 33 2HD2 ASN 33 8.228 -13.232 -12.387 299 2HD2 ASN 33 1HD2 ASN 33 9.109 -12.969 -10.890 300 HA PRO 34 HA PRO 34 3.427 -10.779 -9.925 301 1HB PRO 34 1HB PRO 34 2.240 -8.359 -10.204 302 2HB PRO 34 2HB PRO 34 3.070 -8.803 -8.701 303 1HG PRO 34 1HG PRO 34 4.228 -7.160 -10.961 304 2HG PRO 34 2HG PRO 34 4.200 -6.752 -9.236 305 1HD PRO 34 1HD PRO 34 6.369 -8.002 -10.400 306 2HD PRO 34 2HD PRO 34 5.838 -8.298 -8.723 307 H SER 35 H SER 35 3.600 -12.001 -11.912 308 HA SER 35 HA SER 35 3.538 -10.510 -14.424 309 1HB SER 35 1HB SER 35 2.677 -12.879 -15.207 310 2HB SER 35 2HB SER 35 4.366 -12.529 -14.936 311 HG SER 35 HG SER 35 3.219 -14.476 -13.905 312 H LYS 36 H LYS 36 1.076 -12.850 -13.448 313 HA LYS 36 HA LYS 36 -1.073 -10.888 -14.206 314 1HB LYS 36 1HB LYS 36 -0.302 -13.556 -15.452 315 2HB LYS 36 2HB LYS 36 -2.005 -13.109 -15.355 316 1HG LYS 36 1HG LYS 36 -1.419 -12.473 -17.455 317 2HG LYS 36 2HG LYS 36 -1.695 -11.051 -16.496 318 1HD LYS 36 1HD LYS 36 1.142 -11.547 -16.399 319 2HD LYS 36 2HD LYS 36 0.656 -11.917 -18.026 320 1HE LYS 36 1HE LYS 36 1.445 -9.583 -17.722 321 2HE LYS 36 2HE LYS 36 -0.163 -9.686 -18.439 322 1HZ LYS 36 1HZ LYS 36 0.140 -9.288 -15.560 323 2HZ LYS 36 2HZ LYS 36 0.339 -8.040 -16.542 324 3HZ LYS 36 3HZ LYS 36 -1.123 -8.842 -16.556 325 H GLU 37 H GLU 37 -1.877 -14.187 -13.831 326 HA GLU 37 HA GLU 37 -3.847 -13.746 -11.979 327 1HB GLU 37 1HB GLU 37 -2.863 -15.914 -13.432 328 2HB GLU 37 2HB GLU 37 -2.595 -16.436 -11.773 329 1HG GLU 37 1HG GLU 37 -4.927 -16.280 -11.260 330 2HG GLU 37 2HG GLU 37 -5.254 -15.234 -12.663 331 H GLU 38 H GLU 38 -0.454 -14.585 -11.236 332 HA GLU 38 HA GLU 38 -0.147 -14.779 -8.622 333 1HB GLU 38 1HB GLU 38 1.620 -14.120 -10.278 334 2HB GLU 38 2HB GLU 38 1.015 -12.481 -10.324 335 1HG GLU 38 1HG GLU 38 2.076 -13.711 -7.738 336 2HG GLU 38 2HG GLU 38 3.134 -13.032 -8.995 337 H ARG 39 H ARG 39 -0.920 -11.543 -9.931 338 HA ARG 39 HA ARG 39 -1.060 -10.593 -7.261 339 1HB ARG 39 1HB ARG 39 -0.324 -9.312 -9.384 340 2HB ARG 39 2HB ARG 39 -2.002 -9.247 -9.884 341 1HG ARG 39 1HG ARG 39 -2.543 -7.768 -8.011 342 2HG ARG 39 2HG ARG 39 -1.025 -8.142 -7.235 343 1HD ARG 39 1HD ARG 39 -1.205 -5.871 -8.508 344 2HD ARG 39 2HD ARG 39 0.260 -6.851 -8.607 345 HE ARG 39 HE ARG 39 -0.052 -7.232 -10.858 346 1HH1 ARG 39 2HH2 ARG 39 -3.370 -6.739 -9.874 347 2HH1 ARG 39 1HH2 ARG 39 -3.772 -5.551 -11.032 348 1HH2 ARG 39 2HH1 ARG 39 -0.672 -6.472 -12.757 349 2HH2 ARG 39 1HH1 ARG 39 -2.342 -6.001 -13.064 350 H GLU 40 H GLU 40 -3.465 -11.151 -9.758 351 HA GLU 40 HA GLU 40 -5.800 -10.401 -8.392 352 1HB GLU 40 1HB GLU 40 -6.021 -12.526 -10.329 353 2HB GLU 40 2HB GLU 40 -6.900 -10.992 -10.173 354 1HG GLU 40 1HG GLU 40 -4.558 -10.068 -11.170 355 2HG GLU 40 2HG GLU 40 -4.237 -11.755 -11.507 356 H THR 41 H THR 41 -4.389 -13.615 -8.640 357 HA THR 41 HA THR 41 -5.696 -15.147 -6.765 358 HB THR 41 HB THR 41 -2.871 -14.931 -7.705 359 HG1 THR 41 1HG THR 41 -4.470 -16.088 -8.843 360 1HG2 THR 41 3HG2 THR 41 -3.575 -16.548 -5.298 361 2HG2 THR 41 1HG2 THR 41 -2.192 -16.887 -6.386 362 3HG2 THR 41 2HG2 THR 41 -2.259 -15.366 -5.523 363 H LEU 42 H LEU 42 -2.870 -12.990 -6.181 364 HA LEU 42 HA LEU 42 -2.825 -13.400 -3.412 365 1HB LEU 42 1HB LEU 42 -1.702 -11.418 -5.321 366 2HB LEU 42 2HB LEU 42 -1.839 -10.853 -3.681 367 HG LEU 42 HG LEU 42 -0.675 -13.592 -3.937 368 1HD1 LEU 42 2HD1 LEU 42 0.544 -11.234 -5.339 369 2HD1 LEU 42 3HD1 LEU 42 1.606 -12.367 -4.490 370 3HD1 LEU 42 1HD1 LEU 42 0.555 -12.949 -5.770 371 1HD2 LEU 42 3HD2 LEU 42 -0.865 -12.014 -1.859 372 2HD2 LEU 42 1HD2 LEU 42 0.654 -12.882 -2.145 373 3HD2 LEU 42 2HD2 LEU 42 0.517 -11.165 -2.565 374 H VAL 43 H VAL 43 -4.774 -11.039 -5.270 375 HA VAL 43 HA VAL 43 -5.866 -9.799 -2.886 376 HB VAL 43 HB VAL 43 -7.410 -9.990 -5.483 377 1HG1 VAL 43 2HG1 VAL 43 -8.412 -9.082 -3.330 378 2HG1 VAL 43 3HG1 VAL 43 -7.136 -7.866 -3.310 379 3HG1 VAL 43 1HG1 VAL 43 -8.333 -7.892 -4.635 380 1HG2 VAL 43 3HG2 VAL 43 -5.113 -8.132 -4.821 381 2HG2 VAL 43 1HG2 VAL 43 -5.326 -9.147 -6.272 382 3HG2 VAL 43 2HG2 VAL 43 -6.389 -7.782 -6.032 383 H GLU 44 H GLU 44 -7.169 -12.364 -5.086 384 HA GLU 44 HA GLU 44 -9.570 -12.926 -3.880 385 1HB GLU 44 1HB GLU 44 -7.689 -14.047 -5.754 386 2HB GLU 44 2HB GLU 44 -8.333 -15.320 -4.787 387 1HG GLU 44 1HG GLU 44 -9.958 -13.204 -6.240 388 2HG GLU 44 2HG GLU 44 -9.497 -14.790 -6.916 389 H GLU 45 H GLU 45 -6.556 -14.682 -3.408 390 HA GLU 45 HA GLU 45 -7.661 -16.291 -1.474 391 1HB GLU 45 1HB GLU 45 -5.178 -16.047 -2.908 392 2HB GLU 45 2HB GLU 45 -4.778 -16.377 -1.224 393 1HG GLU 45 1HG GLU 45 -4.988 -18.424 -2.547 394 2HG GLU 45 2HG GLU 45 -6.215 -18.363 -1.272 395 H CYS 46 H CYS 46 -5.823 -13.289 -1.185 396 HA CYS 46 HA CYS 46 -5.484 -13.350 1.698 397 1HB CYS 46 1HB CYS 46 -5.572 -11.139 -0.377 398 2HB CYS 46 2HB CYS 46 -5.688 -10.711 1.325 399 HG CYS 46 HG CYS 46 -3.412 -12.520 -0.153 400 H ASN 47 H ASN 47 -8.003 -12.007 -0.500 401 HA ASN 47 HA ASN 47 -9.756 -11.032 1.502 402 1HB ASN 47 1HB ASN 47 -10.000 -11.666 -1.421 403 2HB ASN 47 2HB ASN 47 -11.492 -11.676 -0.526 404 1HD2 ASN 47 2HD2 ASN 47 -10.590 -8.204 -1.910 405 2HD2 ASN 47 1HD2 ASN 47 -10.581 -9.792 -2.660 406 H ARG 48 H ARG 48 -9.522 -14.301 0.037 407 HA ARG 48 HA ARG 48 -11.666 -15.552 1.384 408 1HB ARG 48 1HB ARG 48 -10.327 -16.622 -0.382 409 2HB ARG 48 2HB ARG 48 -8.929 -16.664 0.672 410 1HG ARG 48 1HG ARG 48 -10.432 -18.071 2.301 411 2HG ARG 48 2HG ARG 48 -11.429 -18.334 0.876 412 1HD ARG 48 1HD ARG 48 -8.436 -18.901 1.116 413 2HD ARG 48 2HD ARG 48 -9.688 -20.117 1.275 414 HE ARG 48 HE ARG 48 -8.743 -18.762 -1.213 415 1HH1 ARG 48 2HH2 ARG 48 -11.270 -20.834 0.152 416 2HH1 ARG 48 1HH2 ARG 48 -11.786 -21.398 -1.390 417 1HH2 ARG 48 2HH1 ARG 48 -9.143 -19.707 -3.093 418 2HH2 ARG 48 1HH1 ARG 48 -10.362 -20.941 -3.349 419 H ALA 49 H ALA 49 -8.216 -15.337 2.326 420 HA ALA 49 HA ALA 49 -8.488 -16.518 4.880 421 1HB ALA 49 1HB ALA 49 -6.348 -16.169 3.777 422 2HB ALA 49 2HB ALA 49 -6.488 -14.408 3.973 423 3HB ALA 49 3HB ALA 49 -6.336 -15.452 5.402 424 H GLU 50 H GLU 50 -8.900 -13.129 3.877 425 HA GLU 50 HA GLU 50 -9.130 -12.070 6.531 426 1HB GLU 50 1HB GLU 50 -8.504 -10.915 4.287 427 2HB GLU 50 2HB GLU 50 -10.236 -10.828 4.018 428 1HG GLU 50 1HG GLU 50 -9.522 -8.771 4.890 429 2HG GLU 50 2HG GLU 50 -10.417 -9.592 6.203 430 H CYS 51 H CYS 51 -11.352 -13.272 4.050 431 HA CYS 51 HA CYS 51 -13.863 -12.804 5.193 432 1HB CYS 51 1HB CYS 51 -14.242 -13.421 3.167 433 2HB CYS 51 2HB CYS 51 -12.921 -14.541 3.204 434 HG CYS 51 HG CYS 51 -15.198 -15.773 2.782 435 H ILE 52 H ILE 52 -11.582 -15.518 5.651 436 HA ILE 52 HA ILE 52 -13.252 -16.899 7.550 437 HB ILE 52 HB ILE 52 -10.277 -17.027 6.931 438 1HG1 ILE 52 1HG1 ILE 52 -12.575 -18.949 6.318 439 2HG1 ILE 52 2HG1 ILE 52 -11.953 -17.753 5.179 440 1HG2 ILE 52 3HG2 ILE 52 -10.621 -17.735 9.273 441 2HG2 ILE 52 1HG2 ILE 52 -11.888 -18.865 8.743 442 3HG2 ILE 52 2HG2 ILE 52 -10.197 -19.097 8.251 443 1HD1 ILE 52 2HD1 ILE 52 -9.697 -18.820 5.299 444 2HD1 ILE 52 3HD1 ILE 52 -10.414 -20.126 6.278 445 3HD1 ILE 52 1HD1 ILE 52 -10.977 -19.851 4.626 446 H GLN 53 H GLN 53 -10.559 -14.586 7.823 447 HA GLN 53 HA GLN 53 -10.384 -14.445 10.634 448 1HB GLN 53 1HB GLN 53 -9.878 -12.267 8.586 449 2HB GLN 53 2HB GLN 53 -9.506 -12.121 10.281 450 1HG GLN 53 1HG GLN 53 -7.805 -13.751 10.252 451 2HG GLN 53 2HG GLN 53 -8.393 -14.494 8.771 452 1HE2 GLN 53 2HE2 GLN 53 -6.818 -10.868 7.859 453 2HE2 GLN 53 1HE2 GLN 53 -7.902 -10.990 9.231 454 H ARG 54 H ARG 54 -13.060 -13.257 8.671 455 HA ARG 54 HA ARG 54 -14.218 -12.309 11.228 456 1HB ARG 54 1HB ARG 54 -13.190 -10.458 9.575 457 2HB ARG 54 2HB ARG 54 -14.731 -10.665 8.753 458 1HG ARG 54 1HG ARG 54 -15.960 -10.142 10.777 459 2HG ARG 54 2HG ARG 54 -14.518 -10.222 11.776 460 1HD ARG 54 1HD ARG 54 -15.285 -7.864 11.288 461 2HD ARG 54 2HD ARG 54 -13.594 -8.269 10.994 462 HE ARG 54 HE ARG 54 -13.790 -7.744 8.832 463 1HH1 ARG 54 2HH2 ARG 54 -17.047 -8.582 10.021 464 2HH1 ARG 54 1HH2 ARG 54 -17.857 -8.211 8.536 465 1HH2 ARG 54 2HH1 ARG 54 -14.956 -6.878 6.946 466 2HH2 ARG 54 1HH1 ARG 54 -16.584 -7.435 6.690 467 H GLY 55 H GLY 55 -14.516 -14.715 9.605 468 1HA GLY 55 1HA GLY 55 -16.150 -16.033 8.697 469 2HA GLY 55 2HA GLY 55 -17.116 -15.388 10.034 470 H VAL 56 H VAL 56 -15.916 -13.863 6.975 471 HA VAL 56 HA VAL 56 -18.635 -12.895 6.367 472 HB VAL 56 HB VAL 56 -16.127 -12.926 4.653 473 1HG1 VAL 56 1HG1 VAL 56 -18.828 -11.563 4.211 474 2HG1 VAL 56 2HG1 VAL 56 -17.351 -11.119 3.346 475 3HG1 VAL 56 3HG1 VAL 56 -18.008 -12.724 3.134 476 1HG2 VAL 56 3HG2 VAL 56 -17.432 -10.798 6.369 477 2HG2 VAL 56 1HG2 VAL 56 -15.763 -11.444 6.472 478 3HG2 VAL 56 2HG2 VAL 56 -16.258 -10.423 5.110 479 H SER 57 H SER 57 -19.680 -13.522 4.368 480 HA SER 57 HA SER 57 -20.268 -16.258 4.100 481 1HB SER 57 1HB SER 57 -20.964 -13.703 2.967 482 2HB SER 57 2HB SER 57 -20.871 -14.907 1.670 483 HG SER 57 HG SER 57 -22.381 -15.141 4.050 484 HA PRO 58 HA PRO 58 -16.551 -17.403 2.031 485 1HB PRO 58 1HB PRO 58 -17.201 -19.745 0.709 486 2HB PRO 58 2HB PRO 58 -17.013 -19.589 2.474 487 1HG PRO 58 1HG PRO 58 -19.593 -19.444 0.875 488 2HG PRO 58 2HG PRO 58 -19.263 -20.435 2.321 489 1HD PRO 58 1HD PRO 58 -20.536 -18.060 2.538 490 2HD PRO 58 2HD PRO 58 -19.297 -18.513 3.742 491 H SER 59 H SER 59 -19.394 -17.384 -0.141 492 HA SER 59 HA SER 59 -17.657 -16.991 -2.505 493 1HB SER 59 1HB SER 59 -19.697 -16.853 -3.756 494 2HB SER 59 2HB SER 59 -19.732 -18.278 -2.714 495 HG SER 59 HG SER 59 -21.684 -16.989 -2.717 496 H GLN 60 H GLN 60 -18.327 -14.977 0.018 497 HA GLN 60 HA GLN 60 -18.621 -12.522 -1.663 498 1HB GLN 60 1HB GLN 60 -20.631 -13.301 -0.183 499 2HB GLN 60 2HB GLN 60 -19.564 -12.919 1.177 500 1HG GLN 60 1HG GLN 60 -19.369 -10.561 -0.110 501 2HG GLN 60 2HG GLN 60 -20.899 -11.092 -0.814 502 1HE2 GLN 60 2HE2 GLN 60 -22.423 -11.384 2.585 503 2HE2 GLN 60 1HE2 GLN 60 -22.367 -12.224 1.060 504 H ALA 61 H ALA 61 -16.081 -13.842 -1.079 505 HA ALA 61 HA ALA 61 -14.950 -12.464 1.185 506 1HB ALA 61 2HB ALA 61 -13.896 -14.473 0.097 507 2HB ALA 61 3HB ALA 61 -13.345 -13.377 -1.206 508 3HB ALA 61 1HB ALA 61 -12.857 -13.111 0.477 509 H GLN 62 H GLN 62 -15.943 -11.479 -1.978 510 HA GLN 62 HA GLN 62 -14.622 -8.882 -1.755 511 1HB GLN 62 1HB GLN 62 -15.812 -10.380 -3.881 512 2HB GLN 62 2HB GLN 62 -16.795 -8.928 -3.682 513 1HG GLN 62 1HG GLN 62 -14.998 -8.535 -5.266 514 2HG GLN 62 2HG GLN 62 -14.752 -7.532 -3.825 515 1HE2 GLN 62 2HE2 GLN 62 -11.468 -9.049 -4.711 516 2HE2 GLN 62 1HE2 GLN 62 -12.581 -7.971 -5.552 517 H GLY 63 H GLY 63 -16.690 -10.010 0.332 518 1HA GLY 63 1HA GLY 63 -18.432 -7.650 0.624 519 2HA GLY 63 2HA GLY 63 -18.165 -9.014 1.738 520 H LEU 64 H LEU 64 -16.781 -8.768 3.256 521 HA LEU 64 HA LEU 64 -15.366 -7.995 4.737 522 1HB LEU 64 1HB LEU 64 -13.745 -8.049 2.222 523 2HB LEU 64 2HB LEU 64 -13.011 -7.433 3.687 524 HG LEU 64 HG LEU 64 -12.439 -9.696 3.509 525 1HD1 LEU 64 1HD1 LEU 64 -14.351 -9.462 5.807 526 2HD1 LEU 64 2HD1 LEU 64 -13.166 -10.721 5.518 527 3HD1 LEU 64 3HD1 LEU 64 -12.622 -9.080 5.727 528 1HD2 LEU 64 1HD2 LEU 64 -14.996 -10.194 2.426 529 2HD2 LEU 64 2HD2 LEU 64 -13.538 -11.207 2.522 530 3HD2 LEU 64 3HD2 LEU 64 -14.727 -11.253 3.816 531 H GLY 65 H GLY 65 -15.443 -5.528 2.233 532 1HA GLY 65 1HA GLY 65 -15.699 -3.373 2.262 533 2HA GLY 65 2HA GLY 65 -16.489 -3.557 3.841 534 H SER 66 H SER 66 -15.242 -3.122 5.734 535 HA SER 66 HA SER 66 -13.151 -1.262 5.861 536 1HB SER 66 1HB SER 66 -14.490 -3.316 7.597 537 2HB SER 66 2HB SER 66 -12.835 -2.974 7.968 538 HG SER 66 HG SER 66 -14.311 -1.559 9.017 539 H ASN 67 H ASN 67 -13.113 -4.806 5.918 540 HA ASN 67 HA ASN 67 -10.236 -4.929 6.211 541 1HB ASN 67 1HB ASN 67 -12.426 -6.965 5.780 542 2HB ASN 67 2HB ASN 67 -10.729 -7.396 6.019 543 1HD2 ASN 67 2HD2 ASN 67 -10.885 -7.199 9.525 544 2HD2 ASN 67 1HD2 ASN 67 -9.930 -7.604 8.098 545 H LEU 68 H LEU 68 -12.354 -4.833 3.450 546 HA LEU 68 HA LEU 68 -11.417 -6.869 1.875 547 1HB LEU 68 1HB LEU 68 -13.380 -5.543 1.358 548 2HB LEU 68 2HB LEU 68 -12.386 -4.130 0.990 549 HG LEU 68 HG LEU 68 -11.325 -6.148 -0.664 550 1HD1 LEU 68 1HD1 LEU 68 -13.189 -7.617 -0.044 551 2HD1 LEU 68 2HD1 LEU 68 -14.311 -6.431 -0.762 552 3HD1 LEU 68 3HD1 LEU 68 -13.079 -7.227 -1.769 553 1HD2 LEU 68 2HD2 LEU 68 -11.685 -3.798 -1.277 554 2HD2 LEU 68 3HD2 LEU 68 -12.329 -4.915 -2.489 555 3HD2 LEU 68 1HD2 LEU 68 -13.439 -4.093 -1.369 556 H VAL 69 H VAL 69 -9.648 -7.287 0.712 557 HA VAL 69 HA VAL 69 -7.474 -5.272 0.487 558 HB VAL 69 HB VAL 69 -6.875 -7.456 1.409 559 1HG1 VAL 69 2HG1 VAL 69 -8.132 -8.573 -1.077 560 2HG1 VAL 69 3HG1 VAL 69 -6.808 -9.398 -0.281 561 3HG1 VAL 69 1HG1 VAL 69 -8.265 -9.073 0.636 562 1HG2 VAL 69 2HG2 VAL 69 -5.217 -6.208 0.069 563 2HG2 VAL 69 3HG2 VAL 69 -5.024 -7.964 -0.002 564 3HG2 VAL 69 1HG2 VAL 69 -5.705 -7.127 -1.385 565 H THR 70 H THR 70 -6.465 -5.026 -1.639 566 HA THR 70 HA THR 70 -8.133 -5.626 -4.002 567 HB THR 70 HB THR 70 -8.025 -3.289 -4.757 568 HG1 THR 70 1HG THR 70 -6.263 -2.552 -3.615 569 1HG2 THR 70 3HG2 THR 70 -10.012 -4.058 -3.433 570 2HG2 THR 70 1HG2 THR 70 -9.251 -3.445 -1.949 571 3HG2 THR 70 2HG2 THR 70 -9.669 -2.331 -3.248 572 H GLU 71 H GLU 71 -6.876 -5.318 -6.005 573 HA GLU 71 HA GLU 71 -4.282 -6.376 -5.890 574 1HB GLU 71 1HB GLU 71 -4.167 -5.431 -8.302 575 2HB GLU 71 2HB GLU 71 -5.319 -6.708 -7.872 576 1HG GLU 71 1HG GLU 71 -7.162 -5.235 -7.806 577 2HG GLU 71 2HG GLU 71 -6.135 -3.804 -8.005 578 H VAL 72 H VAL 72 -5.088 -2.909 -6.477 579 HA VAL 72 HA VAL 72 -2.471 -1.999 -6.460 580 HB VAL 72 HB VAL 72 -4.369 -0.597 -6.981 581 1HG1 VAL 72 1HG1 VAL 72 -4.997 -0.523 -3.995 582 2HG1 VAL 72 2HG1 VAL 72 -5.737 0.490 -5.241 583 3HG1 VAL 72 3HG1 VAL 72 -5.998 -1.256 -5.276 584 1HG2 VAL 72 3HG2 VAL 72 -2.152 0.380 -6.286 585 2HG2 VAL 72 1HG2 VAL 72 -3.531 1.459 -6.090 586 3HG2 VAL 72 2HG2 VAL 72 -2.840 0.658 -4.671 587 H ARG 73 H ARG 73 -4.283 -3.213 -3.723 588 HA ARG 73 HA ARG 73 -2.749 -1.973 -1.617 589 1HB ARG 73 1HB ARG 73 -5.083 -3.518 -1.776 590 2HB ARG 73 2HB ARG 73 -3.927 -4.671 -1.135 591 1HG ARG 73 1HG ARG 73 -5.127 -3.642 0.641 592 2HG ARG 73 2HG ARG 73 -3.438 -3.084 0.697 593 1HD ARG 73 1HD ARG 73 -5.160 -1.301 1.133 594 2HD ARG 73 2HD ARG 73 -4.043 -0.959 -0.189 595 HE ARG 73 HE ARG 73 -6.458 -2.224 -1.183 596 1HH1 ARG 73 2HH2 ARG 73 -5.241 0.822 0.005 597 2HH1 ARG 73 1HH2 ARG 73 -6.133 1.795 -1.123 598 1HH2 ARG 73 2HH1 ARG 73 -7.836 -1.058 -2.427 599 2HH2 ARG 73 1HH1 ARG 73 -8.299 0.550 -1.937 600 H VAL 74 H VAL 74 -2.723 -5.187 -3.248 601 HA VAL 74 HA VAL 74 -0.385 -5.967 -1.794 602 HB VAL 74 HB VAL 74 -2.257 -7.373 -2.958 603 1HG1 VAL 74 1HG1 VAL 74 -0.112 -7.451 -5.101 604 2HG1 VAL 74 2HG1 VAL 74 -1.478 -8.569 -4.939 605 3HG1 VAL 74 3HG1 VAL 74 -1.780 -6.867 -5.294 606 1HG2 VAL 74 2HG2 VAL 74 -0.416 -8.127 -1.431 607 2HG2 VAL 74 3HG2 VAL 74 -0.880 -9.305 -2.638 608 3HG2 VAL 74 1HG2 VAL 74 0.601 -8.377 -2.867 609 H TYR 75 H TYR 75 -0.877 -4.565 -5.032 610 HA TYR 75 HA TYR 75 1.766 -4.503 -5.903 611 1HB TYR 75 1HB TYR 75 -0.403 -3.577 -6.991 612 2HB TYR 75 2HB TYR 75 -0.052 -2.086 -6.128 613 HD1 TYR 75 1HD TYR 75 1.945 -0.720 -6.725 614 HD2 TYR 75 2HD TYR 75 0.962 -4.340 -8.861 615 HE1 TYR 75 1HE TYR 75 3.420 -0.031 -8.588 616 HE2 TYR 75 2HE TYR 75 2.424 -3.634 -10.725 617 HH TYR 75 HH TYR 75 4.248 -0.558 -10.669 618 H ASN 76 H ASN 76 0.184 -2.436 -3.479 619 HA ASN 76 HA ASN 76 2.486 -0.748 -3.001 620 1HB ASN 76 1HB ASN 76 -0.201 -1.043 -1.642 621 2HB ASN 76 2HB ASN 76 1.127 -0.176 -0.882 622 1HD2 ASN 76 2HD2 ASN 76 -0.356 1.502 -4.349 623 2HD2 ASN 76 1HD2 ASN 76 -0.399 -0.254 -4.176 624 H TRP 77 H TRP 77 1.239 -3.734 -1.325 625 HA TRP 77 HA TRP 77 3.270 -3.480 0.746 626 1HB TRP 77 1HB TRP 77 2.324 -5.183 1.729 627 2HB TRP 77 2HB TRP 77 1.152 -5.246 0.417 628 HD1 TRP 77 HD TRP 77 1.759 -6.913 -1.582 629 HE1 TRP 77 1HE TRP 77 3.042 -9.106 -1.745 630 HE3 TRP 77 3HE TRP 77 4.054 -6.868 3.017 631 HZ2 TRP 77 2HZ TRP 77 4.607 -10.745 -0.019 632 HZ3 TRP 77 3HZ TRP 77 4.847 -9.039 3.902 633 HH2 TRP 77 HH TRP 77 5.401 -10.895 2.303 634 H PHE 78 H PHE 78 3.161 -5.203 -2.407 635 HA PHE 78 HA PHE 78 5.779 -6.278 -2.205 636 1HB PHE 78 1HB PHE 78 3.935 -5.694 -4.534 637 2HB PHE 78 2HB PHE 78 5.604 -6.169 -4.811 638 HD1 PHE 78 2HD PHE 78 6.540 -8.253 -3.656 639 HD2 PHE 78 1HD PHE 78 2.343 -7.514 -4.304 640 HE1 PHE 78 2HE PHE 78 6.100 -10.679 -3.724 641 HE2 PHE 78 1HE PHE 78 1.903 -9.937 -4.180 642 HZ PHE 78 HZ PHE 78 3.796 -11.541 -3.934 643 H ALA 79 H ALA 79 4.602 -3.156 -3.531 644 HA ALA 79 HA ALA 79 7.017 -1.986 -4.280 645 1HB ALA 79 2HB ALA 79 4.742 -0.849 -4.365 646 2HB ALA 79 3HB ALA 79 4.882 -0.564 -2.640 647 3HB ALA 79 1HB ALA 79 6.052 0.150 -3.718 648 H ASN 80 H ASN 80 5.746 -2.555 -0.976 649 HA ASN 80 HA ASN 80 7.943 -1.088 0.214 650 1HB ASN 80 1HB ASN 80 5.731 -1.303 1.420 651 2HB ASN 80 2HB ASN 80 6.002 -3.036 1.562 652 1HD2 ASN 80 2HD2 ASN 80 8.336 -2.736 4.222 653 2HD2 ASN 80 1HD2 ASN 80 7.567 -3.837 3.104 654 H ARG 81 H ARG 81 7.124 -4.540 -0.111 655 HA ARG 81 HA ARG 81 9.382 -5.466 1.323 656 1HB ARG 81 1HB ARG 81 7.604 -6.737 -0.782 657 2HB ARG 81 2HB ARG 81 8.942 -7.619 -0.051 658 1HG ARG 81 1HG ARG 81 6.761 -6.296 1.633 659 2HG ARG 81 2HG ARG 81 6.665 -7.956 1.014 660 1HD ARG 81 1HD ARG 81 8.745 -8.557 2.110 661 2HD ARG 81 2HD ARG 81 8.926 -6.933 2.820 662 HE ARG 81 HE ARG 81 6.471 -7.850 3.687 663 1HH1 ARG 81 2HH2 ARG 81 9.934 -8.641 4.051 664 2HH1 ARG 81 1HH2 ARG 81 9.696 -9.380 5.611 665 1HH2 ARG 81 2HH1 ARG 81 6.237 -9.491 5.561 666 2HH2 ARG 81 1HH1 ARG 81 7.682 -9.601 6.507 667 H ARG 82 H ARG 82 9.055 -4.550 -2.096 668 HA ARG 82 HA ARG 82 11.595 -5.235 -3.093 669 1HB ARG 82 1HB ARG 82 10.082 -2.585 -3.321 670 2HB ARG 82 2HB ARG 82 11.516 -3.006 -4.221 671 1HG ARG 82 1HG ARG 82 9.524 -5.115 -4.451 672 2HG ARG 82 2HG ARG 82 8.780 -3.565 -4.821 673 1HD ARG 82 1HD ARG 82 11.485 -4.053 -6.115 674 2HD ARG 82 2HD ARG 82 10.178 -5.087 -6.637 675 HE ARG 82 HE ARG 82 9.369 -3.420 -7.913 676 1HH1 ARG 82 2HH2 ARG 82 11.721 -1.811 -5.838 677 2HH1 ARG 82 1HH2 ARG 82 10.909 -0.262 -5.881 678 1HH2 ARG 82 2HH1 ARG 82 8.466 -1.289 -8.244 679 2HH2 ARG 82 1HH1 ARG 82 9.371 0.076 -7.665 680 H LYS 83 H LYS 83 10.664 -2.326 -1.203 681 HA LYS 83 HA LYS 83 13.357 -1.422 -1.140 682 1HB LYS 83 1HB LYS 83 10.930 -0.186 -0.814 683 2HB LYS 83 2HB LYS 83 11.358 -0.386 0.882 684 1HG LYS 83 1HG LYS 83 12.855 1.150 -1.291 685 2HG LYS 83 2HG LYS 83 11.990 1.798 0.105 686 1HD LYS 83 1HD LYS 83 13.707 0.482 1.561 687 2HD LYS 83 2HD LYS 83 14.609 0.234 0.067 688 1HE LYS 83 1HE LYS 83 15.565 2.102 1.231 689 2HE LYS 83 2HE LYS 83 14.798 2.706 -0.250 690 1HZ LYS 83 1HZ LYS 83 13.529 2.797 2.421 691 2HZ LYS 83 2HZ LYS 83 14.406 4.039 1.793 692 3HZ LYS 83 3HZ LYS 83 13.023 3.581 1.069 693 H GLU 84 H GLU 84 11.340 -3.161 1.204 694 HA GLU 84 HA GLU 84 13.174 -3.220 3.341 695 1HB GLU 84 1HB GLU 84 10.719 -4.058 3.196 696 2HB GLU 84 2HB GLU 84 11.412 -5.574 2.588 697 1HG GLU 84 1HG GLU 84 12.797 -5.720 4.657 698 2HG GLU 84 2HG GLU 84 12.047 -4.237 5.261 699 H GLU 85 H GLU 85 13.091 -5.030 0.283 700 HA GLU 85 HA GLU 85 14.982 -7.059 1.245 701 1HB GLU 85 1HB GLU 85 13.130 -7.585 -0.245 702 2HB GLU 85 2HB GLU 85 13.788 -6.574 -1.523 703 1HG GLU 85 1HG GLU 85 15.330 -8.139 -2.147 704 2HG GLU 85 2HG GLU 85 15.682 -8.641 -0.504 705 H ALA 86 H ALA 86 14.967 -4.399 -1.121 706 HA ALA 86 HA ALA 86 17.707 -4.461 -1.815 707 1HB ALA 86 3HB ALA 86 15.891 -3.239 -3.008 708 2HB ALA 86 1HB ALA 86 15.850 -2.049 -1.691 709 3HB ALA 86 2HB ALA 86 17.313 -2.245 -2.689 710 H PHE 87 H PHE 87 15.993 -2.767 0.799 711 HA PHE 87 HA PHE 87 18.110 -1.455 2.126 712 1HB PHE 87 1HB PHE 87 15.976 -0.949 2.908 713 2HB PHE 87 2HB PHE 87 15.488 -2.632 2.957 714 HD1 PHE 87 1HD PHE 87 17.781 -0.311 4.763 715 HD2 PHE 87 2HD PHE 87 15.128 -3.698 4.953 716 HE1 PHE 87 1HE PHE 87 17.667 -0.091 7.242 717 HE2 PHE 87 2HE PHE 87 14.998 -3.455 7.397 718 HZ PHE 87 HZ PHE 87 16.286 -1.676 8.559 719 H ARG 88 H ARG 88 16.800 -4.766 2.842 720 HA ARG 88 HA ARG 88 18.737 -5.571 4.606 721 1HB ARG 88 1HB ARG 88 16.708 -6.837 3.873 722 2HB ARG 88 2HB ARG 88 17.592 -7.413 2.464 723 1HG ARG 88 1HG ARG 88 18.531 -7.893 5.339 724 2HG ARG 88 2HG ARG 88 17.344 -8.898 4.527 725 1HD ARG 88 1HD ARG 88 19.301 -10.105 4.283 726 2HD ARG 88 2HD ARG 88 19.029 -9.362 2.691 727 HE ARG 88 HE ARG 88 20.702 -7.656 4.257 728 1HH1 ARG 88 2HH2 ARG 88 20.927 -10.736 2.583 729 2HH1 ARG 88 1HH2 ARG 88 22.543 -10.466 2.001 730 1HH2 ARG 88 2HH1 ARG 88 22.777 -7.231 3.525 731 2HH2 ARG 88 1HH1 ARG 88 23.653 -8.388 2.595 732 H HIS 89 H HIS 89 18.948 -5.659 1.062 733 HA HIS 89 HA HIS 89 21.427 -7.075 0.901 734 1HB HIS 89 1HB HIS 89 19.529 -6.524 -0.840 735 2HB HIS 89 2HB HIS 89 20.395 -5.022 -1.112 736 HD1 HIS 89 1HD HIS 89 23.367 -6.006 -1.554 737 HD2 HIS 89 2HD HIS 89 19.818 -7.801 -2.968 738 HE1 HIS 89 1HE HIS 89 23.959 -7.201 -3.697 739 H LYS 90 H LYS 90 20.710 -3.710 1.579 740 HA LYS 90 HA LYS 90 23.591 -2.954 1.208 741 1HB LYS 90 1HB LYS 90 21.094 -1.384 1.800 742 2HB LYS 90 2HB LYS 90 22.740 -0.709 1.997 743 1HG LYS 90 1HG LYS 90 23.199 -1.336 -0.386 744 2HG LYS 90 2HG LYS 90 21.493 -1.770 -0.547 745 1HD LYS 90 1HD LYS 90 20.847 0.551 0.028 746 2HD LYS 90 2HD LYS 90 22.549 0.962 0.330 747 1HE LYS 90 1HE LYS 90 23.112 0.521 -2.040 748 2HE LYS 90 2HE LYS 90 21.421 0.100 -2.383 749 1HZ LYS 90 3HZ LYS 90 22.290 2.730 -1.373 750 2HZ LYS 90 1HZ LYS 90 21.973 2.431 -2.958 751 3HZ LYS 90 2HZ LYS 90 20.785 2.326 -1.842 752 H LEU 91 H LEU 91 21.250 -3.730 3.805 753 HA LEU 91 HA LEU 91 22.979 -3.071 5.890 754 1HB LEU 91 1HB LEU 91 21.255 -5.565 5.803 755 2HB LEU 91 2HB LEU 91 21.918 -4.790 7.229 756 HG LEU 91 HG LEU 91 19.842 -3.525 5.384 757 1HD1 LEU 91 2HD1 LEU 91 19.143 -5.545 6.735 758 2HD1 LEU 91 3HD1 LEU 91 19.476 -4.581 8.185 759 3HD1 LEU 91 1HD1 LEU 91 18.239 -4.039 7.017 760 1HD2 LEU 91 2HD2 LEU 91 21.025 -2.647 8.029 761 2HD2 LEU 91 3HD2 LEU 91 21.138 -1.778 6.468 762 3HD2 LEU 91 1HD2 LEU 91 19.584 -1.924 7.296 763 H ALA 92 H ALA 92 24.926 -3.972 6.433 764 HA ALA 92 HA ALA 92 26.703 -5.314 6.460 765 1HB ALA 92 1HB ALA 92 25.344 -7.306 5.562 766 2HB ALA 92 2HB ALA 92 25.780 -6.735 3.926 767 3HB ALA 92 3HB ALA 92 27.046 -7.247 5.047 768 H MET 93 H MET 93 25.832 -2.922 4.713 769 HA MET 93 HA MET 93 28.630 -2.417 4.084 770 1HB MET 93 1HB MET 93 27.330 -3.508 2.006 771 2HB MET 93 2HB MET 93 26.690 -1.873 1.817 772 1HG MET 93 1HG MET 93 29.138 -1.078 1.814 773 2HG MET 93 2HG MET 93 29.600 -2.779 1.784 774 1HE MET 93 1HE MET 93 29.123 -4.381 -0.271 775 2HE MET 93 2HE MET 93 27.381 -4.008 -0.243 776 3HE MET 93 3HE MET 93 28.291 -3.866 -1.758 777 H ASP 94 H ASP 94 26.287 -1.330 5.740 778 HA ASP 94 HA ASP 94 27.148 1.312 5.894 779 1HB ASP 94 1HB ASP 94 25.617 1.312 3.619 780 2HB ASP 94 2HB ASP 94 24.335 1.518 4.804 781 H THR 95 H THR 95 24.264 -0.661 5.951 782 HA THR 95 HA THR 95 23.210 -1.721 7.626 783 HB THR 95 HB THR 95 25.132 -0.455 9.569 784 HG1 THR 95 1HG THR 95 26.488 -2.143 8.978 785 1HG2 THR 95 2HG2 THR 95 23.633 -3.119 9.567 786 2HG2 THR 95 3HG2 THR 95 24.817 -2.600 10.785 787 3HG2 THR 95 1HG2 THR 95 23.283 -1.728 10.616 788 H TYR 96 H TYR 96 23.765 1.715 8.274 789 HA TYR 96 HA TYR 96 20.811 1.927 8.634 790 1HB TYR 96 1HB TYR 96 22.929 3.337 10.312 791 2HB TYR 96 2HB TYR 96 21.262 3.878 10.195 792 HD1 TYR 96 2HD TYR 96 19.349 2.469 11.032 793 HD2 TYR 96 1HD TYR 96 23.459 1.324 11.630 794 HE1 TYR 96 2HE TYR 96 18.675 1.050 12.940 795 HE2 TYR 96 1HE TYR 96 22.759 -0.194 13.460 796 HH TYR 96 HH TYR 96 19.433 -0.270 14.706 797 H LYS 97 H LYS 97 20.971 4.862 8.501 798 HA LYS 97 HA LYS 97 20.995 6.442 6.947 799 1HB LYS 97 1HB LYS 97 23.720 5.312 6.404 800 2HB LYS 97 2HB LYS 97 23.152 7.004 6.282 801 1HG LYS 97 1HG LYS 97 22.979 7.146 8.700 802 2HG LYS 97 2HG LYS 97 23.465 5.437 8.878 803 1HD LYS 97 1HD LYS 97 25.571 5.980 7.586 804 2HD LYS 97 2HD LYS 97 25.181 7.690 7.764 805 1HE LYS 97 1HE LYS 97 25.682 5.642 9.982 806 2HE LYS 97 2HE LYS 97 26.796 6.902 9.457 807 1HZ LYS 97 2HZ LYS 97 25.212 8.558 10.174 808 2HZ LYS 97 3HZ LYS 97 24.157 7.452 10.701 809 3HZ LYS 97 1HZ LYS 97 25.618 7.577 11.437 810 H LEU 98 H LEU 98 19.410 4.744 5.839 811 HA LEU 98 HA LEU 98 19.881 4.940 3.100 812 1HB LEU 98 1HB LEU 98 20.104 2.705 2.355 813 2HB LEU 98 2HB LEU 98 21.341 2.888 3.586 814 HG LEU 98 HG LEU 98 18.619 1.557 4.097 815 1HD1 LEU 98 3HD1 LEU 98 21.307 0.398 3.367 816 2HD1 LEU 98 1HD1 LEU 98 19.912 -0.558 3.900 817 3HD1 LEU 98 2HD1 LEU 98 19.817 0.365 2.383 818 1HD2 LEU 98 1HD2 LEU 98 19.876 2.326 6.169 819 2HD2 LEU 98 2HD2 LEU 98 19.699 0.575 6.051 820 3HD2 LEU 98 3HD2 LEU 98 21.240 1.319 5.626 821 H ASN 99 H ASN 99 17.807 5.426 5.201 822 HA ASN 99 HA ASN 99 15.481 3.892 4.220 823 1HB ASN 99 2HB ASN 99 15.452 4.569 6.574 824 2HB ASN 99 3HB ASN 99 15.711 6.265 6.112 825 1HD2 ASN 99 2HD2 ASN 99 12.164 6.526 6.244 826 2HD2 ASN 99 1HD2 ASN 99 13.675 7.047 6.954 No H/Q in entry = 826 Start of MODEL 10 1 1H MET 0 3H MET 0 11.681 17.823 -13.972 2 2H MET 0 1H MET 0 10.790 17.700 -15.334 3 3H MET 0 2H MET 0 10.457 18.863 -14.180 4 HA MET 0 HA MET 0 8.823 17.218 -13.916 5 1HB MET 0 2HB MET 0 9.463 14.838 -13.449 6 2HB MET 0 3HB MET 0 9.692 15.404 -15.097 7 1HG MET 0 2HG MET 0 11.544 14.010 -14.518 8 2HG MET 0 3HG MET 0 12.116 15.646 -14.733 9 1HE MET 0 3HE MET 0 11.578 12.662 -12.401 10 2HE MET 0 1HE MET 0 12.008 13.291 -10.801 11 3HE MET 0 2HE MET 0 10.483 13.794 -11.574 12 H ALA 1 H ALA 1 8.190 16.281 -11.760 13 HA ALA 1 HA ALA 1 10.011 16.478 -9.562 14 1HB ALA 1 2HB ALA 1 9.463 18.926 -9.874 15 2HB ALA 1 3HB ALA 1 7.754 18.516 -9.717 16 3HB ALA 1 1HB ALA 1 8.845 18.288 -8.343 17 H ARG 2 H ARG 2 8.859 16.030 -7.510 18 HA ARG 2 HA ARG 2 7.607 14.611 -6.254 19 1HB ARG 2 1HB ARG 2 5.480 15.752 -8.097 20 2HB ARG 2 2HB ARG 2 5.098 14.618 -6.810 21 1HG ARG 2 1HG ARG 2 6.721 17.051 -6.093 22 2HG ARG 2 2HG ARG 2 5.002 17.223 -6.445 23 1HD ARG 2 1HD ARG 2 4.637 15.239 -4.745 24 2HD ARG 2 2HD ARG 2 6.316 15.525 -4.277 25 HE ARG 2 HE ARG 2 5.637 17.359 -3.090 26 1HH1 ARG 2 2HH2 ARG 2 3.088 16.675 -5.551 27 2HH1 ARG 2 1HH2 ARG 2 2.097 17.984 -4.929 28 1HH2 ARG 2 2HH1 ARG 2 4.081 18.901 -2.241 29 2HH2 ARG 2 1HH1 ARG 2 2.637 19.188 -3.204 30 H ILE 3 H ILE 3 9.048 12.975 -7.462 31 HA ILE 3 HA ILE 3 7.554 11.004 -9.034 32 HB ILE 3 HB ILE 3 9.475 9.552 -8.624 33 1HG1 ILE 3 1HG1 ILE 3 11.294 11.629 -7.594 34 2HG1 ILE 3 2HG1 ILE 3 10.042 11.226 -6.416 35 1HG2 ILE 3 3HG2 ILE 3 9.401 11.135 -10.538 36 2HG2 ILE 3 1HG2 ILE 3 10.209 12.359 -9.552 37 3HG2 ILE 3 2HG2 ILE 3 11.053 10.855 -9.975 38 1HD1 ILE 3 3HD1 ILE 3 10.641 8.831 -6.597 39 2HD1 ILE 3 1HD1 ILE 3 11.873 9.271 -7.803 40 3HD1 ILE 3 2HD1 ILE 3 12.029 9.836 -6.125 41 H ASP 4 H ASP 4 5.673 11.095 -7.623 42 HA ASP 4 HA ASP 4 4.381 10.669 -5.778 43 1HB ASP 4 1HB ASP 4 5.209 8.208 -7.246 44 2HB ASP 4 2HB ASP 4 4.143 8.117 -5.854 45 HA PRO 5 HA PRO 5 7.392 9.955 -2.320 46 1HB PRO 5 1HB PRO 5 6.273 11.797 -0.634 47 2HB PRO 5 2HB PRO 5 7.519 12.175 -1.859 48 1HG PRO 5 1HG PRO 5 4.517 12.503 -2.160 49 2HG PRO 5 2HG PRO 5 5.788 13.716 -2.505 50 1HD PRO 5 1HD PRO 5 4.740 12.244 -4.452 51 2HD PRO 5 2HD PRO 5 6.504 12.506 -4.443 52 H THR 6 H THR 6 6.722 7.968 -1.620 53 HA THR 6 HA THR 6 4.034 7.648 -0.342 54 HB THR 6 HB THR 6 4.218 5.326 -1.527 55 HG1 THR 6 1HG THR 6 5.694 6.821 -3.406 56 1HG2 THR 6 3HG2 THR 6 3.668 7.849 -3.152 57 2HG2 THR 6 1HG2 THR 6 3.146 6.207 -3.560 58 3HG2 THR 6 2HG2 THR 6 2.511 7.005 -2.110 59 H LYS 7 H LYS 7 6.883 7.996 0.777 60 HA LYS 7 HA LYS 7 7.247 5.409 2.184 61 1HB LYS 7 1HB LYS 7 9.178 6.307 1.031 62 2HB LYS 7 2HB LYS 7 9.052 7.840 1.890 63 1HG LYS 7 1HG LYS 7 9.493 5.193 3.343 64 2HG LYS 7 2HG LYS 7 10.809 6.082 2.578 65 1HD LYS 7 1HD LYS 7 10.163 8.116 3.987 66 2HD LYS 7 2HD LYS 7 9.122 7.019 4.917 67 1HE LYS 7 1HE LYS 7 11.147 5.539 5.295 68 2HE LYS 7 2HE LYS 7 12.143 6.793 4.549 69 1HZ LYS 7 3HZ LYS 7 10.546 7.162 7.037 70 2HZ LYS 7 1HZ LYS 7 12.158 6.933 6.951 71 3HZ LYS 7 2HZ LYS 7 11.501 8.288 6.342 72 H LYS 8 H LYS 8 5.614 5.554 3.635 73 HA LYS 8 HA LYS 8 4.771 5.881 5.671 74 1HB LYS 8 1HB LYS 8 7.336 6.151 5.978 75 2HB LYS 8 2HB LYS 8 6.997 7.847 6.343 76 1HG LYS 8 1HG LYS 8 5.733 5.466 7.786 77 2HG LYS 8 2HG LYS 8 7.313 6.114 8.197 78 1HD LYS 8 1HD LYS 8 6.382 8.315 8.710 79 2HD LYS 8 2HD LYS 8 4.738 7.753 8.358 80 1HE LYS 8 1HE LYS 8 4.800 6.110 10.124 81 2HE LYS 8 2HE LYS 8 6.533 6.359 10.382 82 1HZ LYS 8 2HZ LYS 8 6.024 8.560 11.244 83 2HZ LYS 8 3HZ LYS 8 4.402 8.305 11.054 84 3HZ LYS 8 1HZ LYS 8 5.251 7.379 12.059 85 H GLY 9 H GLY 9 3.219 7.160 6.750 86 1HA GLY 9 1HA GLY 9 2.160 9.172 7.346 87 2HA GLY 9 2HA GLY 9 3.013 10.037 6.062 88 H ARG 10 H ARG 10 0.195 8.397 6.925 89 HA ARG 10 HA ARG 10 -1.808 7.994 5.981 90 1HB ARG 10 1HB ARG 10 -0.747 9.711 3.732 91 2HB ARG 10 2HB ARG 10 -1.940 8.496 3.316 92 1HG ARG 10 1HG ARG 10 -3.307 10.260 3.761 93 2HG ARG 10 2HG ARG 10 -3.337 9.416 5.296 94 1HD ARG 10 1HD ARG 10 -2.956 11.569 6.025 95 2HD ARG 10 2HD ARG 10 -1.283 11.027 5.872 96 HE ARG 10 HE ARG 10 -2.536 12.322 3.488 97 1HH1 ARG 10 2HH2 ARG 10 -0.226 12.896 6.093 98 2HH1 ARG 10 1HH2 ARG 10 -0.340 14.632 5.927 99 1HH2 ARG 10 2HH1 ARG 10 -2.255 14.433 3.009 100 2HH2 ARG 10 1HH1 ARG 10 -1.258 15.477 4.004 101 H ARG 11 H ARG 11 0.899 7.209 3.761 102 HA ARG 11 HA ARG 11 -0.149 4.863 2.727 103 1HB ARG 11 1HB ARG 11 1.948 6.005 2.045 104 2HB ARG 11 2HB ARG 11 2.737 5.438 3.517 105 1HG ARG 11 1HG ARG 11 1.454 3.293 1.854 106 2HG ARG 11 2HG ARG 11 2.643 4.254 1.006 107 1HD ARG 11 1HD ARG 11 3.912 3.606 3.492 108 2HD ARG 11 2HD ARG 11 3.095 2.139 2.975 109 HE ARG 11 HE ARG 11 5.183 3.702 1.542 110 1HH1 ARG 11 2HH2 ARG 11 3.532 0.577 1.525 111 2HH1 ARG 11 1HH2 ARG 11 3.332 0.584 -0.227 112 1HH2 ARG 11 2HH1 ARG 11 5.690 3.242 -0.568 113 2HH2 ARG 11 1HH1 ARG 11 4.793 2.066 -1.485 114 H ASN 12 H ASN 12 0.012 2.736 3.396 115 HA ASN 12 HA ASN 12 -0.117 0.963 4.809 116 1HB ASN 12 1HB ASN 12 2.345 1.923 5.211 117 2HB ASN 12 2HB ASN 12 1.731 2.215 6.835 118 1HD2 ASN 12 2HD2 ASN 12 1.808 -1.245 7.669 119 2HD2 ASN 12 1HD2 ASN 12 0.865 0.219 8.020 120 H ARG 13 H ARG 13 -1.644 3.752 5.544 121 HA ARG 13 HA ARG 13 -2.570 3.422 8.178 122 1HB ARG 13 1HB ARG 13 -4.627 4.471 7.376 123 2HB ARG 13 2HB ARG 13 -3.206 5.312 6.770 124 1HG ARG 13 1HG ARG 13 -3.583 3.917 4.566 125 2HG ARG 13 2HG ARG 13 -5.151 3.504 5.293 126 1HD ARG 13 1HD ARG 13 -5.333 6.142 5.570 127 2HD ARG 13 2HD ARG 13 -4.155 6.171 4.264 128 HE ARG 13 HE ARG 13 -6.984 5.569 4.144 129 1HH1 ARG 13 2HH2 ARG 13 -4.050 5.272 2.211 130 2HH1 ARG 13 1HH2 ARG 13 -4.951 4.744 0.850 131 1HH2 ARG 13 2HH1 ARG 13 -8.019 4.724 2.400 132 2HH2 ARG 13 1HH1 ARG 13 -7.147 3.784 1.191 133 H PHE 14 H PHE 14 -3.388 1.778 5.218 134 HA PHE 14 HA PHE 14 -5.501 0.081 6.227 135 1HB PHE 14 1HB PHE 14 -5.462 0.600 3.895 136 2HB PHE 14 2HB PHE 14 -3.763 0.147 3.748 137 HD1 PHE 14 2HD PHE 14 -7.151 -1.309 4.468 138 HD2 PHE 14 1HD PHE 14 -3.067 -2.059 3.270 139 HE1 PHE 14 2HE PHE 14 -7.691 -3.698 4.024 140 HE2 PHE 14 1HE PHE 14 -3.678 -4.394 2.698 141 HZ PHE 14 HZ PHE 14 -5.929 -5.215 3.149 142 H LYS 15 H LYS 15 -5.180 -1.557 7.600 143 HA LYS 15 HA LYS 15 -2.604 -3.037 7.693 144 1HB LYS 15 1HB LYS 15 -3.261 -3.817 9.852 145 2HB LYS 15 2HB LYS 15 -3.526 -2.078 9.790 146 1HG LYS 15 1HG LYS 15 -5.532 -2.624 10.736 147 2HG LYS 15 2HG LYS 15 -6.018 -2.881 9.068 148 1HD LYS 15 1HD LYS 15 -5.076 -5.388 9.660 149 2HD LYS 15 2HD LYS 15 -5.406 -4.822 11.291 150 1HE LYS 15 1HE LYS 15 -7.428 -5.892 10.539 151 2HE LYS 15 2HE LYS 15 -7.754 -4.156 10.496 152 1HZ LYS 15 1HZ LYS 15 -7.099 -4.374 8.029 153 2HZ LYS 15 2HZ LYS 15 -7.134 -5.964 8.272 154 3HZ LYS 15 3HZ LYS 15 -8.528 -5.114 8.494 155 H TRP 16 H TRP 16 -2.546 -5.220 7.235 156 HA TRP 16 HA TRP 16 -4.639 -6.369 5.568 157 1HB TRP 16 1HB TRP 16 -1.928 -7.378 6.579 158 2HB TRP 16 2HB TRP 16 -2.981 -8.296 5.524 159 HD1 TRP 16 HD TRP 16 -1.412 -4.733 5.403 160 HE1 TRP 16 1HE TRP 16 -0.702 -4.235 3.010 161 HE3 TRP 16 3HE TRP 16 -2.974 -9.075 3.158 162 HZ2 TRP 16 2HZ TRP 16 -1.041 -5.417 0.406 163 HZ3 TRP 16 3HZ TRP 16 -2.866 -9.300 0.715 164 HH2 TRP 16 HH TRP 16 -2.046 -7.417 -0.677 165 H GLY 17 H GLY 17 -3.228 -8.767 7.571 166 1HA GLY 17 1HA GLY 17 -4.734 -8.807 9.939 167 2HA GLY 17 2HA GLY 17 -5.678 -9.618 8.656 168 HA PRO 18 HA PRO 18 -2.332 -12.666 9.908 169 1HB PRO 18 1HB PRO 18 -3.840 -14.522 11.255 170 2HB PRO 18 2HB PRO 18 -3.126 -13.121 12.104 171 1HG PRO 18 1HG PRO 18 -5.945 -13.397 11.022 172 2HG PRO 18 2HG PRO 18 -5.458 -12.861 12.654 173 1HD PRO 18 1HD PRO 18 -6.055 -11.103 10.630 174 2HD PRO 18 2HD PRO 18 -4.790 -10.733 11.838 175 H ALA 19 H ALA 19 -2.367 -14.697 8.757 176 HA ALA 19 HA ALA 19 -2.764 -16.269 7.301 177 1HB ALA 19 2HB ALA 19 -4.967 -16.490 8.391 178 2HB ALA 19 3HB ALA 19 -5.640 -15.361 7.188 179 3HB ALA 19 1HB ALA 19 -4.953 -16.914 6.658 180 H SER 20 H SER 20 -4.607 -13.465 6.534 181 HA SER 20 HA SER 20 -4.321 -12.838 3.867 182 1HB SER 20 1HB SER 20 -5.298 -11.552 5.968 183 2HB SER 20 2HB SER 20 -3.685 -10.947 6.174 184 HG SER 20 HG SER 20 -5.541 -10.311 4.253 185 H GLN 21 H GLN 21 -1.983 -11.949 6.442 186 HA GLN 21 HA GLN 21 0.031 -11.193 4.550 187 1HB GLN 21 1HB GLN 21 1.336 -10.585 6.472 188 2HB GLN 21 2HB GLN 21 -0.349 -10.079 6.678 189 1HG GLN 21 1HG GLN 21 -0.666 -12.204 8.103 190 2HG GLN 21 2HG GLN 21 1.082 -12.393 7.978 191 1HE2 GLN 21 2HE2 GLN 21 -0.422 -9.184 10.114 192 2HE2 GLN 21 1HE2 GLN 21 -1.305 -9.853 8.744 193 H GLN 22 H GLN 22 -0.738 -14.282 5.968 194 HA GLN 22 HA GLN 22 1.947 -15.393 5.723 195 1HB GLN 22 1HB GLN 22 0.219 -16.368 7.270 196 2HB GLN 22 2HB GLN 22 -0.725 -16.848 5.849 197 1HG GLN 22 1HG GLN 22 0.537 -18.756 6.597 198 2HG GLN 22 2HG GLN 22 1.206 -18.229 5.057 199 1HE2 GLN 22 2HE2 GLN 22 3.498 -18.059 8.447 200 2HE2 GLN 22 1HE2 GLN 22 1.793 -18.465 8.558 201 H ILE 23 H ILE 23 -1.079 -15.205 3.834 202 HA ILE 23 HA ILE 23 -0.090 -16.635 1.579 203 HB ILE 23 HB ILE 23 -2.434 -14.910 2.262 204 1HG1 ILE 23 1HG1 ILE 23 -2.103 -17.603 0.854 205 2HG1 ILE 23 2HG1 ILE 23 -2.110 -17.412 2.615 206 1HG2 ILE 23 1HG2 ILE 23 -1.772 -15.576 -0.621 207 2HG2 ILE 23 2HG2 ILE 23 -3.301 -14.897 -0.006 208 3HG2 ILE 23 3HG2 ILE 23 -1.836 -13.943 0.099 209 1HD1 ILE 23 2HD1 ILE 23 -4.356 -16.412 2.502 210 2HD1 ILE 23 3HD1 ILE 23 -4.388 -16.753 0.750 211 3HD1 ILE 23 1HD1 ILE 23 -4.271 -18.093 1.905 212 H LEU 24 H LEU 24 0.042 -13.128 2.378 213 HA LEU 24 HA LEU 24 1.505 -12.398 0.040 214 1HB LEU 24 1HB LEU 24 1.684 -11.383 2.886 215 2HB LEU 24 2HB LEU 24 2.731 -10.778 1.610 216 HG LEU 24 HG LEU 24 -0.313 -10.673 1.430 217 1HD1 LEU 24 1HD1 LEU 24 1.800 -8.890 2.618 218 2HD1 LEU 24 2HD1 LEU 24 0.384 -8.138 1.872 219 3HD1 LEU 24 3HD1 LEU 24 0.193 -9.261 3.235 220 1HD2 LEU 24 2HD2 LEU 24 1.950 -9.358 -0.162 221 2HD2 LEU 24 3HD2 LEU 24 0.761 -10.527 -0.783 222 3HD2 LEU 24 1HD2 LEU 24 0.237 -8.920 -0.303 223 H PHE 25 H PHE 25 2.786 -13.943 3.071 224 HA PHE 25 HA PHE 25 5.480 -14.047 2.067 225 1HB PHE 25 1HB PHE 25 4.070 -15.833 4.083 226 2HB PHE 25 2HB PHE 25 5.664 -16.170 3.476 227 HD1 PHE 25 1HD PHE 25 7.564 -14.592 3.784 228 HD2 PHE 25 2HD PHE 25 3.805 -14.165 5.856 229 HE1 PHE 25 1HE PHE 25 8.642 -13.117 5.456 230 HE2 PHE 25 2HE PHE 25 4.875 -12.642 7.488 231 HZ PHE 25 HZ PHE 25 7.302 -12.122 7.298 232 H GLN 26 H GLN 26 2.768 -16.437 1.676 233 HA GLN 26 HA GLN 26 4.363 -18.312 0.320 234 1HB GLN 26 1HB GLN 26 2.629 -19.571 -0.047 235 2HB GLN 26 2HB GLN 26 1.851 -18.515 1.116 236 1HG GLN 26 1HG GLN 26 0.561 -17.455 -0.508 237 2HG GLN 26 2HG GLN 26 1.608 -17.994 -1.838 238 1HE2 GLN 26 2HE2 GLN 26 -1.450 -20.362 -1.268 239 2HE2 GLN 26 1HE2 GLN 26 -1.437 -18.654 -0.987 240 H ALA 27 H ALA 27 2.409 -15.689 -1.037 241 HA ALA 27 HA ALA 27 3.114 -16.217 -3.745 242 1HB ALA 27 3HB ALA 27 1.106 -14.994 -3.033 243 2HB ALA 27 1HB ALA 27 2.151 -13.656 -2.467 244 3HB ALA 27 2HB ALA 27 2.082 -14.073 -4.205 245 H TYR 28 H TYR 28 4.630 -14.128 -1.228 246 HA TYR 28 HA TYR 28 6.346 -12.797 -3.093 247 1HB TYR 28 1HB TYR 28 5.892 -12.063 -0.709 248 2HB TYR 28 2HB TYR 28 6.967 -13.354 -0.161 249 HD1 TYR 28 2HD TYR 28 6.801 -10.528 -2.614 250 HD2 TYR 28 1HD TYR 28 9.319 -12.758 0.072 251 HE1 TYR 28 2HE TYR 28 8.720 -9.124 -3.264 252 HE2 TYR 28 1HE TYR 28 11.207 -11.227 -0.449 253 HH TYR 28 HH TYR 28 11.904 -9.367 -1.711 254 H GLU 29 H GLU 29 6.735 -15.754 -1.066 255 HA GLU 29 HA GLU 29 9.367 -16.295 -1.937 256 1HB GLU 29 1HB GLU 29 7.897 -17.467 -0.070 257 2HB GLU 29 2HB GLU 29 7.366 -18.518 -1.397 258 1HG GLU 29 1HG GLU 29 9.244 -19.619 -0.543 259 2HG GLU 29 2HG GLU 29 9.947 -18.758 -1.898 260 H ARG 30 H ARG 30 6.182 -17.231 -3.295 261 HA ARG 30 HA ARG 30 7.364 -18.941 -5.218 262 1HB ARG 30 1HB ARG 30 4.607 -17.630 -5.028 263 2HB ARG 30 2HB ARG 30 5.027 -18.770 -6.312 264 1HG ARG 30 1HG ARG 30 5.223 -20.590 -4.861 265 2HG ARG 30 2HG ARG 30 5.456 -19.584 -3.430 266 1HD ARG 30 1HD ARG 30 3.236 -20.696 -3.490 267 2HD ARG 30 2HD ARG 30 3.141 -18.935 -3.365 268 HE ARG 30 HE ARG 30 2.843 -19.050 -5.970 269 1HH1 ARG 30 2HH2 ARG 30 1.075 -20.833 -3.408 270 2HH1 ARG 30 1HH2 ARG 30 -0.175 -21.293 -4.550 271 1HH2 ARG 30 2HH1 ARG 30 0.978 -19.443 -7.208 272 2HH2 ARG 30 1HH1 ARG 30 -0.234 -20.556 -6.603 273 H GLN 31 H GLN 31 5.670 -15.798 -5.611 274 HA GLN 31 HA GLN 31 7.322 -15.055 -7.962 275 1HB GLN 31 1HB GLN 31 4.437 -14.448 -7.321 276 2HB GLN 31 2HB GLN 31 5.266 -13.950 -8.794 277 1HG GLN 31 1HG GLN 31 5.116 -16.936 -8.100 278 2HG GLN 31 2HG GLN 31 3.759 -16.074 -8.734 279 1HE2 GLN 31 2HE2 GLN 31 4.773 -16.992 -11.893 280 2HE2 GLN 31 1HE2 GLN 31 3.612 -17.134 -10.581 281 H LYS 32 H LYS 32 8.425 -14.249 -5.694 282 HA LYS 32 HA LYS 32 8.176 -11.973 -4.457 283 1HB LYS 32 1HB LYS 32 10.627 -11.536 -4.879 284 2HB LYS 32 2HB LYS 32 10.210 -13.136 -4.322 285 1HG LYS 32 1HG LYS 32 10.190 -13.515 -7.111 286 2HG LYS 32 2HG LYS 32 11.363 -12.238 -6.911 287 1HD LYS 32 1HD LYS 32 12.506 -14.357 -6.885 288 2HD LYS 32 2HD LYS 32 12.622 -13.634 -5.280 289 1HE LYS 32 1HE LYS 32 12.218 -16.080 -5.186 290 2HE LYS 32 2HE LYS 32 10.929 -15.196 -4.391 291 1HZ LYS 32 1HZ LYS 32 10.726 -16.334 -7.141 292 2HZ LYS 32 2HZ LYS 32 10.077 -16.933 -5.725 293 3HZ LYS 32 3HZ LYS 32 9.566 -15.540 -6.343 294 H ASN 33 H ASN 33 8.588 -12.035 -7.953 295 HA ASN 33 HA ASN 33 8.094 -9.073 -8.055 296 1HB ASN 33 1HB ASN 33 8.997 -10.954 -10.257 297 2HB ASN 33 2HB ASN 33 8.645 -9.230 -10.412 298 1HD2 ASN 33 2HD2 ASN 33 11.694 -9.151 -7.819 299 2HD2 ASN 33 1HD2 ASN 33 10.003 -9.246 -7.441 300 HA PRO 34 HA PRO 34 4.074 -10.863 -8.120 301 1HB PRO 34 1HB PRO 34 2.487 -8.670 -8.478 302 2HB PRO 34 2HB PRO 34 3.443 -8.933 -6.995 303 1HG PRO 34 1HG PRO 34 4.172 -7.212 -9.389 304 2HG PRO 34 2HG PRO 34 4.235 -6.767 -7.669 305 1HD PRO 34 1HD PRO 34 6.425 -7.652 -9.067 306 2HD PRO 34 2HD PRO 34 6.211 -8.035 -7.341 307 H SER 35 H SER 35 4.104 -12.190 -9.969 308 HA SER 35 HA SER 35 4.873 -11.238 -12.432 309 1HB SER 35 1HB SER 35 4.052 -13.483 -13.249 310 2HB SER 35 2HB SER 35 5.178 -13.534 -11.883 311 HG SER 35 HG SER 35 3.397 -14.896 -11.512 312 H LYS 36 H LYS 36 1.755 -12.816 -12.087 313 HA LYS 36 HA LYS 36 0.207 -10.609 -13.078 314 1HB LYS 36 1HB LYS 36 1.606 -11.555 -15.160 315 2HB LYS 36 2HB LYS 36 0.523 -12.922 -15.081 316 1HG LYS 36 1HG LYS 36 -0.401 -11.433 -16.653 317 2HG LYS 36 2HG LYS 36 -1.411 -11.265 -15.236 318 1HD LYS 36 1HD LYS 36 -1.039 -9.010 -15.396 319 2HD LYS 36 2HD LYS 36 0.545 -9.323 -14.733 320 1HE LYS 36 1HE LYS 36 0.817 -7.980 -16.653 321 2HE LYS 36 2HE LYS 36 1.524 -9.563 -16.991 322 1HZ LYS 36 2HZ LYS 36 -1.196 -8.800 -17.866 323 2HZ LYS 36 3HZ LYS 36 0.156 -8.534 -18.772 324 3HZ LYS 36 1HZ LYS 36 -0.277 -10.074 -18.395 325 H GLU 37 H GLU 37 0.181 -14.170 -13.503 326 HA GLU 37 HA GLU 37 -2.541 -14.545 -12.855 327 1HB GLU 37 1HB GLU 37 -0.030 -16.074 -13.416 328 2HB GLU 37 2HB GLU 37 -0.968 -16.823 -12.174 329 1HG GLU 37 1HG GLU 37 -2.876 -17.136 -13.585 330 2HG GLU 37 2HG GLU 37 -2.225 -16.022 -14.811 331 H GLU 38 H GLU 38 0.451 -15.215 -11.034 332 HA GLU 38 HA GLU 38 -0.596 -15.846 -8.613 333 1HB GLU 38 1HB GLU 38 1.868 -15.666 -9.504 334 2HB GLU 38 2HB GLU 38 1.873 -14.111 -8.651 335 1HG GLU 38 1HG GLU 38 2.547 -15.507 -6.892 336 2HG GLU 38 2HG GLU 38 0.815 -15.611 -6.663 337 H ARG 39 H ARG 39 -0.033 -12.569 -9.865 338 HA ARG 39 HA ARG 39 -0.620 -11.218 -7.412 339 1HB ARG 39 1HB ARG 39 0.626 -10.204 -9.242 340 2HB ARG 39 2HB ARG 39 -0.758 -10.296 -10.316 341 1HG ARG 39 1HG ARG 39 -1.479 -8.896 -7.830 342 2HG ARG 39 2HG ARG 39 -0.021 -8.202 -8.520 343 1HD ARG 39 1HD ARG 39 -2.120 -7.144 -9.287 344 2HD ARG 39 2HD ARG 39 -1.114 -7.730 -10.630 345 HE ARG 39 HE ARG 39 -2.867 -9.815 -10.086 346 1HH1 ARG 39 2HH2 ARG 39 -3.363 -6.420 -10.871 347 2HH1 ARG 39 1HH2 ARG 39 -4.811 -6.687 -11.757 348 1HH2 ARG 39 2HH1 ARG 39 -4.799 -10.203 -11.197 349 2HH2 ARG 39 1HH1 ARG 39 -5.596 -8.901 -12.016 350 H GLU 40 H GLU 40 -2.683 -12.432 -10.060 351 HA GLU 40 HA GLU 40 -5.155 -11.184 -9.153 352 1HB GLU 40 1HB GLU 40 -4.137 -12.462 -11.477 353 2HB GLU 40 2HB GLU 40 -5.095 -13.727 -10.774 354 1HG GLU 40 1HG GLU 40 -7.005 -12.842 -11.428 355 2HG GLU 40 2HG GLU 40 -6.617 -11.228 -10.841 356 H THR 41 H THR 41 -3.734 -14.451 -9.035 357 HA THR 41 HA THR 41 -5.479 -15.757 -7.351 358 HB THR 41 HB THR 41 -2.731 -16.061 -8.245 359 HG1 THR 41 1HG THR 41 -4.603 -17.952 -7.291 360 1HG2 THR 41 3HG2 THR 41 -3.198 -17.056 -5.418 361 2HG2 THR 41 1HG2 THR 41 -1.884 -17.572 -6.505 362 3HG2 THR 41 2HG2 THR 41 -1.948 -15.917 -5.953 363 H LEU 42 H LEU 42 -2.736 -13.673 -6.364 364 HA LEU 42 HA LEU 42 -2.929 -14.028 -3.648 365 1HB LEU 42 1HB LEU 42 -1.868 -11.904 -5.468 366 2HB LEU 42 2HB LEU 42 -2.309 -11.295 -3.888 367 HG LEU 42 HG LEU 42 -0.372 -13.577 -4.391 368 1HD1 LEU 42 3HD1 LEU 42 0.398 -11.265 -5.060 369 2HD1 LEU 42 1HD1 LEU 42 0.051 -10.736 -3.391 370 3HD1 LEU 42 2HD1 LEU 42 1.323 -11.921 -3.704 371 1HD2 LEU 42 2HD2 LEU 42 -1.477 -12.248 -1.868 372 2HD2 LEU 42 3HD2 LEU 42 -1.304 -13.981 -2.232 373 3HD2 LEU 42 1HD2 LEU 42 0.113 -13.013 -1.856 374 H VAL 43 H VAL 43 -4.751 -11.684 -5.659 375 HA VAL 43 HA VAL 43 -5.964 -10.444 -3.378 376 HB VAL 43 HB VAL 43 -6.853 -10.525 -6.304 377 1HG1 VAL 43 1HG1 VAL 43 -7.718 -8.912 -3.825 378 2HG1 VAL 43 2HG1 VAL 43 -8.161 -8.456 -5.476 379 3HG1 VAL 43 3HG1 VAL 43 -8.762 -9.976 -4.784 380 1HG2 VAL 43 1HG2 VAL 43 -4.630 -9.446 -5.859 381 2HG2 VAL 43 2HG2 VAL 43 -5.876 -8.303 -6.366 382 3HG2 VAL 43 3HG2 VAL 43 -5.404 -8.407 -4.651 383 H GLU 44 H GLU 44 -7.110 -13.006 -5.602 384 HA GLU 44 HA GLU 44 -9.585 -13.576 -4.319 385 1HB GLU 44 1HB GLU 44 -9.179 -14.445 -6.486 386 2HB GLU 44 2HB GLU 44 -7.628 -15.150 -6.020 387 1HG GLU 44 1HG GLU 44 -9.397 -16.835 -6.442 388 2HG GLU 44 2HG GLU 44 -8.685 -16.947 -4.829 389 H GLU 45 H GLU 45 -6.585 -15.495 -3.985 390 HA GLU 45 HA GLU 45 -7.131 -17.112 -1.868 391 1HB GLU 45 1HB GLU 45 -4.768 -16.044 -3.121 392 2HB GLU 45 2HB GLU 45 -4.500 -16.127 -1.407 393 1HG GLU 45 1HG GLU 45 -5.017 -18.518 -1.396 394 2HG GLU 45 2HG GLU 45 -5.433 -18.447 -3.127 395 H CYS 46 H CYS 46 -5.927 -13.754 -1.680 396 HA CYS 46 HA CYS 46 -5.744 -13.654 1.139 397 1HB CYS 46 1HB CYS 46 -4.780 -11.872 -0.503 398 2HB CYS 46 2HB CYS 46 -6.399 -11.172 -0.518 399 HG CYS 46 HG CYS 46 -6.582 -11.084 2.217 400 H ASN 47 H ASN 47 -8.285 -12.477 -1.046 401 HA ASN 47 HA ASN 47 -10.193 -11.415 0.844 402 1HB ASN 47 1HB ASN 47 -10.274 -12.470 -2.023 403 2HB ASN 47 2HB ASN 47 -11.759 -12.124 -1.194 404 1HD2 ASN 47 2HD2 ASN 47 -9.237 -8.901 -1.909 405 2HD2 ASN 47 1HD2 ASN 47 -8.564 -10.513 -1.644 406 H ARG 48 H ARG 48 -9.775 -14.617 -0.600 407 HA ARG 48 HA ARG 48 -11.970 -15.989 0.486 408 1HB ARG 48 1HB ARG 48 -10.186 -16.585 -1.304 409 2HB ARG 48 2HB ARG 48 -9.257 -17.254 0.048 410 1HG ARG 48 1HG ARG 48 -11.267 -18.696 0.581 411 2HG ARG 48 2HG ARG 48 -12.068 -17.981 -0.848 412 1HD ARG 48 1HD ARG 48 -9.934 -18.657 -2.162 413 2HD ARG 48 2HD ARG 48 -9.526 -19.654 -0.772 414 HE ARG 48 HE ARG 48 -11.679 -20.817 -1.048 415 1HH1 ARG 48 2HH2 ARG 48 -10.957 -18.788 -3.852 416 2HH1 ARG 48 1HH2 ARG 48 -11.299 -19.965 -5.043 417 1HH2 ARG 48 2HH1 ARG 48 -12.248 -22.451 -2.635 418 2HH2 ARG 48 1HH1 ARG 48 -12.218 -22.060 -4.323 419 H ALA 49 H ALA 49 -8.570 -15.792 1.692 420 HA ALA 49 HA ALA 49 -9.054 -17.080 4.197 421 1HB ALA 49 2HB ALA 49 -6.801 -16.760 3.242 422 2HB ALA 49 3HB ALA 49 -6.939 -15.004 3.476 423 3HB ALA 49 1HB ALA 49 -6.922 -16.088 4.882 424 H GLU 50 H GLU 50 -9.304 -13.700 3.139 425 HA GLU 50 HA GLU 50 -9.639 -12.527 5.687 426 1HB GLU 50 1HB GLU 50 -9.477 -11.622 3.019 427 2HB GLU 50 2HB GLU 50 -11.100 -11.187 3.530 428 1HG GLU 50 1HG GLU 50 -9.608 -9.381 4.036 429 2HG GLU 50 2HG GLU 50 -10.007 -10.188 5.588 430 H CYS 51 H CYS 51 -11.925 -13.984 3.412 431 HA CYS 51 HA CYS 51 -14.256 -13.407 4.832 432 1HB CYS 51 1HB CYS 51 -15.304 -14.672 3.336 433 2HB CYS 51 2HB CYS 51 -13.730 -14.901 2.569 434 HG CYS 51 HG CYS 51 -13.151 -17.099 3.801 435 H ILE 52 H ILE 52 -11.762 -15.901 5.436 436 HA ILE 52 HA ILE 52 -13.219 -17.191 7.569 437 HB ILE 52 HB ILE 52 -10.211 -17.223 7.100 438 1HG1 ILE 52 1HG1 ILE 52 -12.370 -19.094 6.010 439 2HG1 ILE 52 2HG1 ILE 52 -11.466 -17.922 5.046 440 1HG2 ILE 52 1HG2 ILE 52 -10.959 -17.995 9.323 441 2HG2 ILE 52 2HG2 ILE 52 -12.040 -19.168 8.541 442 3HG2 ILE 52 3HG2 ILE 52 -10.275 -19.296 8.359 443 1HD1 ILE 52 1HD1 ILE 52 -9.337 -19.079 5.642 444 2HD1 ILE 52 2HD1 ILE 52 -10.311 -20.379 6.374 445 3HD1 ILE 52 3HD1 ILE 52 -10.469 -20.017 4.649 446 H GLN 53 H GLN 53 -10.722 -14.622 7.388 447 HA GLN 53 HA GLN 53 -10.234 -14.216 10.081 448 1HB GLN 53 1HB GLN 53 -10.307 -12.176 7.822 449 2HB GLN 53 2HB GLN 53 -10.129 -11.660 9.471 450 1HG GLN 53 1HG GLN 53 -7.935 -11.826 8.632 451 2HG GLN 53 2HG GLN 53 -8.165 -13.126 9.804 452 1HE2 GLN 53 2HE2 GLN 53 -7.233 -13.956 5.914 453 2HE2 GLN 53 1HE2 GLN 53 -7.524 -12.309 6.451 454 H ARG 54 H ARG 54 -13.291 -13.349 8.468 455 HA ARG 54 HA ARG 54 -14.251 -12.759 11.201 456 1HB ARG 54 1HB ARG 54 -13.619 -10.580 9.836 457 2HB ARG 54 2HB ARG 54 -15.101 -10.931 8.948 458 1HG ARG 54 1HG ARG 54 -15.895 -11.293 11.605 459 2HG ARG 54 2HG ARG 54 -14.695 -10.013 11.770 460 1HD ARG 54 1HD ARG 54 -17.080 -10.056 9.851 461 2HD ARG 54 2HD ARG 54 -17.085 -9.266 11.442 462 HE ARG 54 HE ARG 54 -14.862 -8.236 10.006 463 1HH1 ARG 54 2HH2 ARG 54 -18.355 -8.342 9.597 464 2HH1 ARG 54 1HH2 ARG 54 -18.539 -6.684 9.108 465 1HH2 ARG 54 2HH1 ARG 54 -15.071 -5.981 9.579 466 2HH2 ARG 54 1HH1 ARG 54 -16.546 -5.278 9.024 467 H GLY 55 H GLY 55 -14.533 -15.049 9.459 468 1HA GLY 55 1HA GLY 55 -16.120 -16.377 8.465 469 2HA GLY 55 2HA GLY 55 -17.117 -15.861 9.835 470 H VAL 56 H VAL 56 -15.950 -14.033 6.948 471 HA VAL 56 HA VAL 56 -18.632 -12.942 6.545 472 HB VAL 56 HB VAL 56 -16.399 -12.904 4.488 473 1HG1 VAL 56 1HG1 VAL 56 -18.788 -11.092 5.061 474 2HG1 VAL 56 2HG1 VAL 56 -17.522 -10.707 3.890 475 3HG1 VAL 56 3HG1 VAL 56 -18.529 -12.124 3.640 476 1HG2 VAL 56 3HG2 VAL 56 -15.357 -11.923 6.469 477 2HG2 VAL 56 1HG2 VAL 56 -15.698 -10.763 5.181 478 3HG2 VAL 56 2HG2 VAL 56 -16.737 -10.782 6.619 479 H SER 57 H SER 57 -20.019 -13.525 4.910 480 HA SER 57 HA SER 57 -20.466 -15.880 3.661 481 1HB SER 57 1HB SER 57 -21.006 -13.070 3.331 482 2HB SER 57 2HB SER 57 -20.801 -13.775 1.744 483 HG SER 57 HG SER 57 -22.441 -15.146 2.054 484 HA PRO 58 HA PRO 58 -16.677 -16.114 0.963 485 1HB PRO 58 1HB PRO 58 -17.548 -18.059 -0.789 486 2HB PRO 58 2HB PRO 58 -16.860 -18.400 0.824 487 1HG PRO 58 1HG PRO 58 -19.781 -18.274 0.052 488 2HG PRO 58 2HG PRO 58 -18.959 -19.495 1.060 489 1HD PRO 58 1HD PRO 58 -20.372 -17.438 2.134 490 2HD PRO 58 2HD PRO 58 -18.882 -18.029 2.929 491 H SER 59 H SER 59 -20.076 -16.078 -0.091 492 HA SER 59 HA SER 59 -19.860 -14.711 -2.557 493 1HB SER 59 1HB SER 59 -22.331 -14.159 -1.759 494 2HB SER 59 2HB SER 59 -21.855 -15.810 -2.167 495 HG SER 59 HG SER 59 -22.938 -15.730 -0.148 496 H GLN 60 H GLN 60 -18.759 -13.470 0.351 497 HA GLN 60 HA GLN 60 -18.864 -10.821 -0.770 498 1HB GLN 60 1HB GLN 60 -20.966 -11.174 0.759 499 2HB GLN 60 2HB GLN 60 -19.839 -11.234 2.099 500 1HG GLN 60 1HG GLN 60 -20.923 -9.034 1.801 501 2HG GLN 60 2HG GLN 60 -19.170 -8.937 1.711 502 1HE2 GLN 60 2HE2 GLN 60 -20.848 -8.712 -2.039 503 2HE2 GLN 60 1HE2 GLN 60 -21.037 -10.181 -1.111 504 H ALA 61 H ALA 61 -16.962 -13.022 -0.311 505 HA ALA 61 HA ALA 61 -14.982 -12.155 1.552 506 1HB ALA 61 1HB ALA 61 -14.928 -14.350 0.421 507 2HB ALA 61 2HB ALA 61 -14.702 -13.546 -1.150 508 3HB ALA 61 3HB ALA 61 -13.451 -13.432 0.098 509 H GLN 62 H GLN 62 -16.120 -10.854 -1.453 510 HA GLN 62 HA GLN 62 -13.860 -9.003 -1.736 511 1HB GLN 62 1HB GLN 62 -16.174 -9.856 -3.359 512 2HB GLN 62 2HB GLN 62 -15.864 -8.137 -3.489 513 1HG GLN 62 1HG GLN 62 -13.742 -10.303 -3.847 514 2HG GLN 62 2HG GLN 62 -14.639 -9.542 -5.165 515 1HE2 GLN 62 2HE2 GLN 62 -12.718 -6.401 -3.701 516 2HE2 GLN 62 1HE2 GLN 62 -14.250 -6.959 -3.068 517 H GLY 63 H GLY 63 -16.084 -9.031 0.603 518 1HA GLY 63 1HA GLY 63 -16.696 -6.095 0.475 519 2HA GLY 63 2HA GLY 63 -17.619 -7.323 1.332 520 H LEU 64 H LEU 64 -16.359 -8.542 3.037 521 HA LEU 64 HA LEU 64 -15.649 -8.528 5.130 522 1HB LEU 64 1HB LEU 64 -13.444 -6.962 3.800 523 2HB LEU 64 2HB LEU 64 -13.398 -7.373 5.513 524 HG LEU 64 HG LEU 64 -12.083 -8.889 4.096 525 1HD1 LEU 64 3HD1 LEU 64 -13.950 -9.744 6.109 526 2HD1 LEU 64 1HD1 LEU 64 -13.392 -11.007 4.969 527 3HD1 LEU 64 2HD1 LEU 64 -12.223 -10.039 5.881 528 1HD2 LEU 64 2HD2 LEU 64 -13.538 -8.872 2.159 529 2HD2 LEU 64 3HD2 LEU 64 -12.994 -10.479 2.681 530 3HD2 LEU 64 1HD2 LEU 64 -14.656 -9.973 3.026 531 H GLY 65 H GLY 65 -15.085 -5.119 4.113 532 1HA GLY 65 1HA GLY 65 -15.185 -3.181 5.324 533 2HA GLY 65 2HA GLY 65 -16.580 -3.878 6.170 534 H SER 66 H SER 66 -13.291 -5.299 6.154 535 HA SER 66 HA SER 66 -12.647 -4.379 8.874 536 1HB SER 66 1HB SER 66 -13.439 -7.104 7.852 537 2HB SER 66 2HB SER 66 -11.890 -7.055 8.567 538 HG SER 66 HG SER 66 -12.806 -6.345 10.506 539 H ASN 67 H ASN 67 -11.740 -6.284 6.011 540 HA ASN 67 HA ASN 67 -8.849 -5.605 6.387 541 1HB ASN 67 1HB ASN 67 -10.436 -8.183 6.280 542 2HB ASN 67 2HB ASN 67 -8.764 -8.129 5.725 543 1HD2 ASN 67 2HD2 ASN 67 -7.861 -8.895 9.082 544 2HD2 ASN 67 1HD2 ASN 67 -7.901 -9.440 7.400 545 H LEU 68 H LEU 68 -11.441 -5.817 4.162 546 HA LEU 68 HA LEU 68 -10.760 -7.299 2.170 547 1HB LEU 68 1HB LEU 68 -12.690 -5.918 2.034 548 2HB LEU 68 2HB LEU 68 -11.739 -4.427 1.896 549 HG LEU 68 HG LEU 68 -10.922 -5.261 -0.359 550 1HD1 LEU 68 3HD1 LEU 68 -12.945 -7.480 0.180 551 2HD1 LEU 68 1HD1 LEU 68 -12.155 -7.148 -1.376 552 3HD1 LEU 68 2HD1 LEU 68 -11.195 -7.690 -0.008 553 1HD2 LEU 68 3HD2 LEU 68 -13.925 -5.046 -0.004 554 2HD2 LEU 68 1HD2 LEU 68 -12.784 -3.704 -0.221 555 3HD2 LEU 68 2HD2 LEU 68 -13.037 -4.868 -1.532 556 H VAL 69 H VAL 69 -9.074 -7.642 0.857 557 HA VAL 69 HA VAL 69 -7.004 -5.550 0.375 558 HB VAL 69 HB VAL 69 -7.107 -8.555 0.071 559 1HG1 VAL 69 1HG1 VAL 69 -4.900 -6.720 -0.931 560 2HG1 VAL 69 2HG1 VAL 69 -4.819 -8.489 -0.808 561 3HG1 VAL 69 3HG1 VAL 69 -5.944 -7.743 -1.946 562 1HG2 VAL 69 3HG2 VAL 69 -6.575 -7.547 2.312 563 2HG2 VAL 69 1HG2 VAL 69 -5.178 -8.371 1.633 564 3HG2 VAL 69 2HG2 VAL 69 -5.254 -6.622 1.549 565 H THR 70 H THR 70 -7.351 -4.323 -1.342 566 HA THR 70 HA THR 70 -8.713 -5.419 -3.753 567 HB THR 70 HB THR 70 -8.849 -3.111 -4.505 568 HG1 THR 70 1HG THR 70 -8.234 -1.449 -3.361 569 1HG2 THR 70 3HG2 THR 70 -10.676 -4.140 -3.083 570 2HG2 THR 70 1HG2 THR 70 -9.937 -3.388 -1.653 571 3HG2 THR 70 2HG2 THR 70 -10.598 -2.372 -2.942 572 H GLU 71 H GLU 71 -7.494 -5.066 -5.817 573 HA GLU 71 HA GLU 71 -5.066 -6.316 -5.661 574 1HB GLU 71 1HB GLU 71 -6.397 -6.114 -7.699 575 2HB GLU 71 2HB GLU 71 -5.975 -4.404 -7.863 576 1HG GLU 71 1HG GLU 71 -3.669 -6.320 -7.577 577 2HG GLU 71 2HG GLU 71 -4.677 -6.539 -8.992 578 H VAL 72 H VAL 72 -5.560 -2.778 -5.841 579 HA VAL 72 HA VAL 72 -2.849 -2.229 -6.215 580 HB VAL 72 HB VAL 72 -4.937 -0.609 -6.203 581 1HG1 VAL 72 2HG1 VAL 72 -5.338 -0.841 -3.731 582 2HG1 VAL 72 3HG1 VAL 72 -3.776 0.005 -3.477 583 3HG1 VAL 72 1HG1 VAL 72 -5.101 0.810 -4.302 584 1HG2 VAL 72 3HG2 VAL 72 -2.087 0.156 -5.463 585 2HG2 VAL 72 1HG2 VAL 72 -2.808 -0.004 -7.076 586 3HG2 VAL 72 2HG2 VAL 72 -3.338 1.290 -6.015 587 H ARG 73 H ARG 73 -4.467 -3.174 -3.215 588 HA ARG 73 HA ARG 73 -2.475 -2.112 -1.411 589 1HB ARG 73 1HB ARG 73 -4.264 -4.568 -1.114 590 2HB ARG 73 2HB ARG 73 -3.398 -3.757 0.196 591 1HG ARG 73 1HG ARG 73 -5.689 -2.600 -1.436 592 2HG ARG 73 2HG ARG 73 -5.787 -3.316 0.170 593 1HD ARG 73 1HD ARG 73 -5.466 -1.324 1.034 594 2HD ARG 73 2HD ARG 73 -3.789 -1.419 0.544 595 HE ARG 73 HE ARG 73 -6.143 -0.364 -1.017 596 1HH1 ARG 73 2HH2 ARG 73 -2.718 0.238 -0.232 597 2HH1 ARG 73 1HH2 ARG 73 -2.743 1.847 -0.943 598 1HH2 ARG 73 2HH1 ARG 73 -6.092 1.646 -2.007 599 2HH2 ARG 73 1HH1 ARG 73 -4.607 2.498 -2.245 600 H VAL 74 H VAL 74 -2.917 -5.287 -3.075 601 HA VAL 74 HA VAL 74 -0.493 -6.514 -2.085 602 HB VAL 74 HB VAL 74 -2.070 -6.881 -4.720 603 1HG1 VAL 74 2HG1 VAL 74 0.186 -8.526 -3.573 604 2HG1 VAL 74 3HG1 VAL 74 -0.888 -9.070 -4.888 605 3HG1 VAL 74 1HG1 VAL 74 0.168 -7.682 -5.133 606 1HG2 VAL 74 1HG2 VAL 74 -3.346 -7.545 -2.669 607 2HG2 VAL 74 2HG2 VAL 74 -3.057 -8.836 -3.840 608 3HG2 VAL 74 3HG2 VAL 74 -2.088 -8.782 -2.368 609 H TYR 75 H TYR 75 -1.319 -4.888 -5.165 610 HA TYR 75 HA TYR 75 1.123 -5.161 -6.359 611 1HB TYR 75 1HB TYR 75 -1.228 -4.116 -7.114 612 2HB TYR 75 2HB TYR 75 -0.410 -2.593 -6.786 613 HD1 TYR 75 2HD TYR 75 -0.300 -5.784 -8.654 614 HD2 TYR 75 1HD TYR 75 1.391 -1.858 -8.282 615 HE1 TYR 75 2HE TYR 75 1.235 -6.274 -10.528 616 HE2 TYR 75 1HE TYR 75 2.762 -2.258 -10.328 617 HH TYR 75 HH TYR 75 2.895 -5.470 -11.889 618 H ASN 76 H ASN 76 0.040 -2.543 -4.352 619 HA ASN 76 HA ASN 76 2.328 -0.873 -4.349 620 1HB ASN 76 1HB ASN 76 0.040 -0.182 -3.823 621 2HB ASN 76 2HB ASN 76 -0.003 -1.289 -2.426 622 1HD2 ASN 76 2HD2 ASN 76 0.279 2.148 -1.212 623 2HD2 ASN 76 1HD2 ASN 76 -0.757 1.342 -2.345 624 H TRP 77 H TRP 77 1.176 -3.502 -2.134 625 HA TRP 77 HA TRP 77 3.198 -3.270 -0.161 626 1HB TRP 77 1HB TRP 77 1.188 -4.643 0.069 627 2HB TRP 77 2HB TRP 77 1.759 -5.779 -1.139 628 HD1 TRP 77 HD TRP 77 1.588 -5.278 2.384 629 HE1 TRP 77 1HE TRP 77 3.080 -6.914 3.716 630 HE3 TRP 77 3HE TRP 77 4.495 -7.133 -1.443 631 HZ2 TRP 77 2HZ TRP 77 5.128 -8.932 3.081 632 HZ3 TRP 77 3HZ TRP 77 5.564 -9.287 -1.143 633 HH2 TRP 77 HH TRP 77 6.040 -10.131 1.145 634 H PHE 78 H PHE 78 3.089 -5.025 -3.259 635 HA PHE 78 HA PHE 78 5.727 -6.150 -3.097 636 1HB PHE 78 1HB PHE 78 3.721 -5.877 -5.289 637 2HB PHE 78 2HB PHE 78 5.391 -6.309 -5.625 638 HD1 PHE 78 1HD PHE 78 2.504 -7.381 -3.412 639 HD2 PHE 78 2HD PHE 78 6.265 -8.488 -5.195 640 HE1 PHE 78 1HE PHE 78 2.178 -9.720 -2.696 641 HE2 PHE 78 2HE PHE 78 5.750 -10.866 -4.787 642 HZ PHE 78 HZ PHE 78 3.779 -11.482 -3.418 643 H ALA 79 H ALA 79 4.447 -3.227 -4.768 644 HA ALA 79 HA ALA 79 6.859 -2.328 -5.863 645 1HB ALA 79 1HB ALA 79 4.599 -1.348 -6.312 646 2HB ALA 79 2HB ALA 79 4.646 -0.585 -4.707 647 3HB ALA 79 3HB ALA 79 5.835 -0.131 -5.943 648 H ASN 80 H ASN 80 5.570 -1.830 -2.583 649 HA ASN 80 HA ASN 80 7.820 -0.219 -1.701 650 1HB ASN 80 1HB ASN 80 5.563 -0.145 -0.708 651 2HB ASN 80 2HB ASN 80 5.812 -1.751 -0.011 652 1HD2 ASN 80 2HD2 ASN 80 7.969 -0.553 2.593 653 2HD2 ASN 80 1HD2 ASN 80 7.336 -1.971 1.788 654 H ARG 81 H ARG 81 7.161 -3.679 -1.899 655 HA ARG 81 HA ARG 81 8.952 -4.648 0.024 656 1HB ARG 81 1HB ARG 81 7.245 -5.766 -1.786 657 2HB ARG 81 2HB ARG 81 8.745 -6.117 -2.612 658 1HG ARG 81 1HG ARG 81 7.815 -7.923 -1.188 659 2HG ARG 81 2HG ARG 81 9.474 -7.482 -0.735 660 1HD ARG 81 1HD ARG 81 7.737 -7.866 1.163 661 2HD ARG 81 2HD ARG 81 8.789 -6.475 1.206 662 HE ARG 81 HE ARG 81 6.299 -5.822 -0.101 663 1HH1 ARG 81 2HH2 ARG 81 7.913 -6.151 3.054 664 2HH1 ARG 81 1HH2 ARG 81 6.629 -5.370 3.903 665 1HH2 ARG 81 2HH1 ARG 81 4.942 -4.397 0.926 666 2HH2 ARG 81 1HH1 ARG 81 4.967 -4.210 2.680 667 H ARG 82 H ARG 82 9.437 -3.697 -3.332 668 HA ARG 82 HA ARG 82 12.103 -4.203 -3.761 669 1HB ARG 82 1HB ARG 82 10.796 -1.490 -4.314 670 2HB ARG 82 2HB ARG 82 12.164 -2.205 -5.162 671 1HG ARG 82 1HG ARG 82 9.265 -3.190 -5.224 672 2HG ARG 82 2HG ARG 82 10.177 -2.405 -6.510 673 1HD ARG 82 1HD ARG 82 11.790 -4.284 -6.498 674 2HD ARG 82 2HD ARG 82 10.812 -5.143 -5.283 675 HE ARG 82 HE ARG 82 8.944 -4.675 -7.204 676 1HH1 ARG 82 2HH2 ARG 82 12.153 -6.209 -7.235 677 2HH1 ARG 82 1HH2 ARG 82 11.920 -6.937 -8.791 678 1HH2 ARG 82 2HH1 ARG 82 8.562 -5.692 -9.063 679 2HH2 ARG 82 1HH1 ARG 82 9.787 -6.660 -9.908 680 H LYS 83 H LYS 83 10.768 -1.472 -1.917 681 HA LYS 83 HA LYS 83 13.384 -0.493 -1.247 682 1HB LYS 83 1HB LYS 83 11.202 0.904 -1.593 683 2HB LYS 83 2HB LYS 83 10.695 0.299 -0.015 684 1HG LYS 83 1HG LYS 83 11.604 2.403 0.457 685 2HG LYS 83 2HG LYS 83 12.903 1.274 0.883 686 1HD LYS 83 1HD LYS 83 13.906 1.708 -1.437 687 2HD LYS 83 2HD LYS 83 12.624 2.885 -1.700 688 1HE LYS 83 1HE LYS 83 14.660 4.009 -1.034 689 2HE LYS 83 2HE LYS 83 13.429 4.252 0.214 690 1HZ LYS 83 1HZ LYS 83 15.526 2.177 0.342 691 2HZ LYS 83 2HZ LYS 83 15.742 3.666 0.923 692 3HZ LYS 83 3HZ LYS 83 14.589 2.678 1.601 693 H GLU 84 H GLU 84 10.850 -2.227 0.499 694 HA GLU 84 HA GLU 84 11.992 -2.347 3.075 695 1HB GLU 84 1HB GLU 84 9.747 -3.232 2.319 696 2HB GLU 84 2HB GLU 84 10.608 -4.566 1.532 697 1HG GLU 84 1HG GLU 84 11.468 -4.449 4.283 698 2HG GLU 84 2HG GLU 84 9.713 -4.378 4.242 699 H GLU 85 H GLU 85 12.775 -4.088 0.099 700 HA GLU 85 HA GLU 85 14.530 -5.928 1.546 701 1HB GLU 85 1HB GLU 85 13.017 -6.646 -0.299 702 2HB GLU 85 2HB GLU 85 14.005 -5.750 -1.462 703 1HG GLU 85 1HG GLU 85 15.964 -7.100 -0.928 704 2HG GLU 85 2HG GLU 85 15.138 -7.795 0.488 705 H ALA 86 H ALA 86 14.830 -3.426 -0.979 706 HA ALA 86 HA ALA 86 17.630 -3.435 -1.294 707 1HB ALA 86 2HB ALA 86 15.642 -1.135 -1.504 708 2HB ALA 86 3HB ALA 86 17.307 -1.118 -2.130 709 3HB ALA 86 1HB ALA 86 16.118 -2.242 -2.802 710 H PHE 87 H PHE 87 15.577 -1.617 1.026 711 HA PHE 87 HA PHE 87 17.526 -0.228 2.476 712 1HB PHE 87 1HB PHE 87 14.935 -1.602 3.293 713 2HB PHE 87 2HB PHE 87 15.993 -0.946 4.511 714 HD1 PHE 87 1HD PHE 87 16.922 1.611 3.722 715 HD2 PHE 87 2HD PHE 87 13.037 -0.203 3.279 716 HE1 PHE 87 1HE PHE 87 15.856 3.740 4.259 717 HE2 PHE 87 2HE PHE 87 11.978 2.002 3.640 718 HZ PHE 87 HZ PHE 87 13.388 3.985 4.167 719 H ARG 88 H ARG 88 16.284 -3.521 3.234 720 HA ARG 88 HA ARG 88 18.146 -4.007 5.286 721 1HB ARG 88 1HB ARG 88 15.927 -5.111 4.661 722 2HB ARG 88 2HB ARG 88 16.830 -6.155 3.572 723 1HG ARG 88 1HG ARG 88 17.472 -5.848 6.554 724 2HG ARG 88 2HG ARG 88 16.207 -6.931 5.966 725 1HD ARG 88 1HD ARG 88 19.094 -7.135 5.105 726 2HD ARG 88 2HD ARG 88 18.384 -8.073 6.416 727 HE ARG 88 HE ARG 88 16.737 -8.446 4.140 728 1HH1 ARG 88 2HH2 ARG 88 20.238 -9.021 4.638 729 2HH1 ARG 88 1HH2 ARG 88 20.096 -10.657 4.011 730 1HH2 ARG 88 2HH1 ARG 88 16.756 -10.367 3.068 731 2HH2 ARG 88 1HH1 ARG 88 18.225 -11.374 3.029 732 H HIS 89 H HIS 89 18.421 -4.446 1.790 733 HA HIS 89 HA HIS 89 20.678 -6.147 1.715 734 1HB HIS 89 1HB HIS 89 19.032 -5.319 -0.146 735 2HB HIS 89 2HB HIS 89 20.144 -3.965 -0.330 736 HD1 HIS 89 1HD HIS 89 22.528 -4.594 -1.578 737 HD2 HIS 89 2HD HIS 89 19.637 -7.632 -1.079 738 HE1 HIS 89 1HE HIS 89 23.046 -6.383 -3.284 739 H LYS 90 H LYS 90 20.357 -2.626 2.057 740 HA LYS 90 HA LYS 90 23.291 -2.249 1.801 741 1HB LYS 90 1HB LYS 90 21.507 -0.819 0.669 742 2HB LYS 90 2HB LYS 90 21.269 -0.053 2.234 743 1HG LYS 90 1HG LYS 90 23.814 -0.120 0.540 744 2HG LYS 90 2HG LYS 90 22.729 1.232 0.812 745 1HD LYS 90 1HD LYS 90 24.249 1.874 2.334 746 2HD LYS 90 2HD LYS 90 23.401 0.757 3.381 747 1HE LYS 90 1HE LYS 90 25.249 -0.962 2.213 748 2HE LYS 90 2HE LYS 90 26.114 0.570 2.066 749 1HZ LYS 90 3HZ LYS 90 25.585 0.797 4.523 750 2HZ LYS 90 1HZ LYS 90 25.178 -0.802 4.471 751 3HZ LYS 90 2HZ LYS 90 26.726 -0.315 4.121 752 H LEU 91 H LEU 91 20.633 -1.501 4.147 753 HA LEU 91 HA LEU 91 22.455 -0.789 6.143 754 1HB LEU 91 1HB LEU 91 19.445 -1.212 6.279 755 2HB LEU 91 2HB LEU 91 20.452 -0.631 7.609 756 HG LEU 91 HG LEU 91 19.534 1.275 6.832 757 1HD1 LEU 91 2HD1 LEU 91 22.025 1.448 6.910 758 2HD1 LEU 91 3HD1 LEU 91 22.058 1.251 5.143 759 3HD1 LEU 91 1HD1 LEU 91 21.244 2.649 5.856 760 1HD2 LEU 91 1HD2 LEU 91 18.456 0.376 4.839 761 2HD2 LEU 91 2HD2 LEU 91 19.184 1.970 4.554 762 3HD2 LEU 91 3HD2 LEU 91 19.978 0.519 3.932 763 H ALA 92 H ALA 92 19.880 -2.861 7.225 764 HA ALA 92 HA ALA 92 19.931 -4.523 8.747 765 1HB ALA 92 1HB ALA 92 20.107 -5.856 6.732 766 2HB ALA 92 2HB ALA 92 21.881 -5.737 6.744 767 3HB ALA 92 3HB ALA 92 21.032 -6.621 8.023 768 H MET 93 H MET 93 21.579 -2.332 9.423 769 HA MET 93 HA MET 93 23.504 -3.670 11.215 770 1HB MET 93 1HB MET 93 25.305 -2.101 10.554 771 2HB MET 93 2HB MET 93 24.790 -3.113 9.198 772 1HG MET 93 1HG MET 93 23.461 -1.241 8.295 773 2HG MET 93 2HG MET 93 23.846 -0.242 9.693 774 1HE MET 93 2HE MET 93 25.406 -2.122 6.605 775 2HE MET 93 3HE MET 93 27.055 -1.445 6.617 776 3HE MET 93 1HE MET 93 26.540 -2.527 7.916 777 H ASP 94 H ASP 94 20.895 -2.057 11.323 778 HA ASP 94 HA ASP 94 21.698 -0.186 13.446 779 1HB ASP 94 1HB ASP 94 21.692 1.154 11.291 780 2HB ASP 94 2HB ASP 94 19.980 0.726 11.082 781 H THR 95 H THR 95 20.562 -2.702 13.593 782 HA THR 95 HA THR 95 18.822 -3.842 14.463 783 HB THR 95 HB THR 95 17.826 -1.189 15.561 784 HG1 THR 95 1HG THR 95 19.441 -1.219 16.984 785 1HG2 THR 95 3HG2 THR 95 16.519 -3.293 16.194 786 2HG2 THR 95 1HG2 THR 95 18.029 -3.984 16.807 787 3HG2 THR 95 2HG2 THR 95 17.335 -2.543 17.571 788 H TYR 96 H TYR 96 16.049 -2.122 14.624 789 HA TYR 96 HA TYR 96 14.138 -2.379 13.465 790 1HB TYR 96 1HB TYR 96 15.481 -0.179 12.978 791 2HB TYR 96 2HB TYR 96 15.729 -0.835 11.378 792 HD1 TYR 96 2HD TYR 96 12.800 -0.539 13.779 793 HD2 TYR 96 1HD TYR 96 14.369 0.384 9.864 794 HE1 TYR 96 2HE TYR 96 10.739 0.692 13.238 795 HE2 TYR 96 1HE TYR 96 12.325 1.675 9.354 796 HH TYR 96 HH TYR 96 10.170 2.312 10.096 797 H LYS 97 H LYS 97 13.754 -2.165 10.644 798 HA LYS 97 HA LYS 97 15.395 -3.604 9.032 799 1HB LYS 97 1HB LYS 97 14.079 -5.627 10.246 800 2HB LYS 97 2HB LYS 97 12.860 -5.231 9.045 801 1HG LYS 97 1HG LYS 97 14.462 -5.582 7.228 802 2HG LYS 97 2HG LYS 97 15.778 -5.760 8.405 803 1HD LYS 97 1HD LYS 97 15.163 -7.984 7.667 804 2HD LYS 97 2HD LYS 97 14.771 -7.751 9.357 805 1HE LYS 97 1HE LYS 97 12.966 -8.955 8.432 806 2HE LYS 97 2HE LYS 97 12.357 -7.329 8.703 807 1HZ LYS 97 1HZ LYS 97 12.827 -6.991 6.221 808 2HZ LYS 97 2HZ LYS 97 13.135 -8.590 6.163 809 3HZ LYS 97 3HZ LYS 97 11.645 -8.085 6.642 810 H LEU 98 H LEU 98 11.780 -3.390 9.254 811 HA LEU 98 HA LEU 98 11.767 -0.864 8.100 812 1HB LEU 98 1HB LEU 98 12.220 -2.198 6.009 813 2HB LEU 98 2HB LEU 98 10.704 -3.043 6.236 814 HG LEU 98 HG LEU 98 10.953 -1.072 4.562 815 1HD1 LEU 98 2HD1 LEU 98 8.800 -2.188 5.138 816 2HD1 LEU 98 3HD1 LEU 98 8.553 -0.971 6.406 817 3HD1 LEU 98 1HD1 LEU 98 8.642 -0.478 4.705 818 1HD2 LEU 98 2HD2 LEU 98 11.948 0.563 6.137 819 2HD2 LEU 98 3HD2 LEU 98 10.479 1.159 5.340 820 3HD2 LEU 98 1HD2 LEU 98 10.404 0.631 7.022 821 H ASN 99 H ASN 99 10.620 -0.461 9.889 822 HA ASN 99 HA ASN 99 9.035 -0.325 11.424 823 1HB ASN 99 2HB ASN 99 6.760 -0.064 10.898 824 2HB ASN 99 3HB ASN 99 7.722 0.722 9.654 825 1HD2 ASN 99 2HD2 ASN 99 5.748 -2.784 8.605 826 2HD2 ASN 99 1HD2 ASN 99 6.265 -2.498 10.270 No H/Q in entry = 826 Start of MODEL 11 1 1H MET 0 2H MET 0 9.181 7.222 0.343 2 2H MET 0 3H MET 0 9.966 5.788 0.134 3 3H MET 0 1H MET 0 10.675 7.260 -0.291 4 HA MET 0 HA MET 0 10.092 6.550 -2.315 5 1HB MET 0 2HB MET 0 7.980 5.441 -2.848 6 2HB MET 0 3HB MET 0 8.899 4.556 -1.632 7 1HG MET 0 2HG MET 0 6.872 4.437 -0.608 8 2HG MET 0 3HG MET 0 7.334 5.997 0.047 9 1HE MET 0 1HE MET 0 4.937 3.924 -1.990 10 2HE MET 0 2HE MET 0 4.068 5.081 -3.008 11 3HE MET 0 3HE MET 0 5.759 4.676 -3.380 12 H ALA 1 H ALA 1 9.452 8.231 -3.696 13 HA ALA 1 HA ALA 1 8.196 10.531 -2.376 14 1HB ALA 1 2HB ALA 1 10.170 10.779 -3.834 15 2HB ALA 1 3HB ALA 1 9.223 10.242 -5.216 16 3HB ALA 1 1HB ALA 1 8.783 11.745 -4.382 17 H ARG 2 H ARG 2 7.453 9.787 -5.743 18 HA ARG 2 HA ARG 2 5.529 9.578 -6.829 19 1HB ARG 2 1HB ARG 2 3.950 8.187 -6.150 20 2HB ARG 2 2HB ARG 2 4.999 7.889 -4.767 21 1HG ARG 2 1HG ARG 2 3.569 9.915 -3.693 22 2HG ARG 2 2HG ARG 2 2.448 9.470 -4.984 23 1HD ARG 2 1HD ARG 2 3.583 7.689 -2.801 24 2HD ARG 2 2HD ARG 2 1.961 8.338 -2.816 25 HE ARG 2 HE ARG 2 3.111 6.251 -4.668 26 1HH1 ARG 2 2HH2 ARG 2 0.188 8.073 -3.921 27 2HH1 ARG 2 1HH2 ARG 2 -0.846 6.683 -3.841 28 1HH2 ARG 2 2HH1 ARG 2 1.657 4.473 -5.126 29 2HH2 ARG 2 1HH1 ARG 2 -0.047 4.779 -5.112 30 H ILE 3 H ILE 3 3.962 11.118 -7.475 31 HA ILE 3 HA ILE 3 4.186 13.681 -6.200 32 HB ILE 3 HB ILE 3 2.671 14.500 -7.779 33 1HG1 ILE 3 1HG1 ILE 3 0.814 12.972 -7.699 34 2HG1 ILE 3 2HG1 ILE 3 1.372 13.226 -9.342 35 1HG2 ILE 3 2HG2 ILE 3 4.894 13.932 -8.625 36 2HG2 ILE 3 3HG2 ILE 3 4.316 12.368 -9.207 37 3HG2 ILE 3 1HG2 ILE 3 3.664 13.865 -9.895 38 1HD1 ILE 3 3HD1 ILE 3 2.508 11.016 -9.316 39 2HD1 ILE 3 1HD1 ILE 3 1.878 10.716 -7.682 40 3HD1 ILE 3 2HD1 ILE 3 0.762 10.909 -9.030 41 H ASP 4 H ASP 4 2.753 14.722 -4.874 42 HA ASP 4 HA ASP 4 1.341 14.897 -3.090 43 1HB ASP 4 1HB ASP 4 0.184 15.776 -5.005 44 2HB ASP 4 2HB ASP 4 -0.554 14.192 -5.326 45 HA PRO 5 HA PRO 5 1.495 10.524 -2.013 46 1HB PRO 5 1HB PRO 5 1.077 10.713 0.753 47 2HB PRO 5 2HB PRO 5 2.641 10.859 -0.094 48 1HG PRO 5 1HG PRO 5 0.814 13.076 0.829 49 2HG PRO 5 2HG PRO 5 2.596 12.997 0.941 50 1HD PRO 5 1HD PRO 5 1.330 14.419 -0.960 51 2HD PRO 5 2HD PRO 5 2.828 13.534 -1.373 52 H THR 6 H THR 6 -1.079 12.575 -0.653 53 HA THR 6 HA THR 6 -3.000 10.626 -0.061 54 HB THR 6 HB THR 6 -4.408 12.928 -0.604 55 HG1 THR 6 1HG THR 6 -2.492 13.981 -1.437 56 1HG2 THR 6 2HG2 THR 6 -2.514 12.389 1.730 57 2HG2 THR 6 3HG2 THR 6 -3.829 13.583 1.719 58 3HG2 THR 6 1HG2 THR 6 -4.205 11.850 1.597 59 H LYS 7 H LYS 7 -2.133 11.996 -3.206 60 HA LYS 7 HA LYS 7 -4.615 11.853 -4.373 61 1HB LYS 7 1HB LYS 7 -2.347 12.838 -5.180 62 2HB LYS 7 2HB LYS 7 -2.067 11.301 -5.943 63 1HG LYS 7 1HG LYS 7 -2.983 12.626 -7.625 64 2HG LYS 7 2HG LYS 7 -4.332 11.598 -7.140 65 1HD LYS 7 1HD LYS 7 -4.976 13.967 -7.510 66 2HD LYS 7 2HD LYS 7 -5.340 13.440 -5.867 67 1HE LYS 7 1HE LYS 7 -3.682 14.739 -4.903 68 2HE LYS 7 2HE LYS 7 -2.656 14.738 -6.351 69 1HZ LYS 7 3HZ LYS 7 -5.158 16.288 -6.250 70 2HZ LYS 7 1HZ LYS 7 -3.638 16.861 -5.873 71 3HZ LYS 7 2HZ LYS 7 -3.937 16.305 -7.366 72 H LYS 8 H LYS 8 -2.029 9.383 -4.983 73 HA LYS 8 HA LYS 8 -4.008 7.779 -6.410 74 1HB LYS 8 1HB LYS 8 -1.281 8.272 -6.730 75 2HB LYS 8 2HB LYS 8 -1.291 6.680 -5.992 76 1HG LYS 8 1HG LYS 8 -1.414 5.979 -8.080 77 2HG LYS 8 2HG LYS 8 -3.143 6.181 -7.861 78 1HD LYS 8 1HD LYS 8 -1.198 8.244 -9.071 79 2HD LYS 8 2HD LYS 8 -2.210 7.128 -9.987 80 1HE LYS 8 1HE LYS 8 -4.251 8.177 -8.880 81 2HE LYS 8 2HE LYS 8 -3.174 9.433 -8.248 82 1HZ LYS 8 2HZ LYS 8 -3.509 8.799 -11.123 83 2HZ LYS 8 3HZ LYS 8 -4.302 9.978 -10.310 84 3HZ LYS 8 1HZ LYS 8 -2.675 10.089 -10.482 85 H GLY 9 H GLY 9 -5.349 6.474 -5.212 86 1HA GLY 9 1HA GLY 9 -4.814 4.132 -4.153 87 2HA GLY 9 2HA GLY 9 -4.342 5.114 -2.753 88 H ARG 10 H ARG 10 -5.963 6.894 -2.204 89 HA ARG 10 HA ARG 10 -7.959 7.608 -1.537 90 1HB ARG 10 1HB ARG 10 -8.551 7.309 -3.983 91 2HB ARG 10 2HB ARG 10 -9.375 5.810 -3.569 92 1HG ARG 10 1HG ARG 10 -9.924 8.531 -2.297 93 2HG ARG 10 2HG ARG 10 -10.742 7.960 -3.732 94 1HD ARG 10 1HD ARG 10 -10.904 6.779 -0.915 95 2HD ARG 10 2HD ARG 10 -12.177 7.610 -1.774 96 HE ARG 10 HE ARG 10 -11.638 4.832 -1.850 97 1HH1 ARG 10 2HH2 ARG 10 -12.723 7.487 -3.899 98 2HH1 ARG 10 1HH2 ARG 10 -13.452 6.447 -5.096 99 1HH2 ARG 10 2HH1 ARG 10 -12.408 3.438 -3.545 100 2HH2 ARG 10 1HH1 ARG 10 -12.928 4.118 -5.052 101 H ARG 11 H ARG 11 -8.585 4.107 -2.274 102 HA ARG 11 HA ARG 11 -9.510 3.483 0.286 103 1HB ARG 11 1HB ARG 11 -9.630 2.046 -1.808 104 2HB ARG 11 2HB ARG 11 -7.900 1.725 -1.576 105 1HG ARG 11 1HG ARG 11 -9.153 -0.144 -0.841 106 2HG ARG 11 2HG ARG 11 -8.426 0.593 0.587 107 1HD ARG 11 1HD ARG 11 -10.519 1.349 1.402 108 2HD ARG 11 2HD ARG 11 -11.228 1.436 -0.192 109 HE ARG 11 HE ARG 11 -10.978 -0.980 1.506 110 1HH1 ARG 11 2HH2 ARG 11 -11.964 0.289 -1.740 111 2HH1 ARG 11 1HH2 ARG 11 -12.977 -1.117 -1.985 112 1HH2 ARG 11 2HH1 ARG 11 -12.409 -2.724 1.003 113 2HH2 ARG 11 1HH1 ARG 11 -13.187 -2.717 -0.583 114 H ASN 12 H ASN 12 -8.195 2.784 2.003 115 HA ASN 12 HA ASN 12 -5.361 2.601 2.117 116 1HB ASN 12 1HB ASN 12 -5.320 5.003 1.480 117 2HB ASN 12 2HB ASN 12 -6.376 5.376 2.845 118 1HD2 ASN 12 2HD2 ASN 12 -3.363 5.993 4.607 119 2HD2 ASN 12 1HD2 ASN 12 -4.816 6.737 3.970 120 H ARG 13 H ARG 13 -8.287 3.721 3.820 121 HA ARG 13 HA ARG 13 -7.613 3.306 6.447 122 1HB ARG 13 1HB ARG 13 -10.032 2.567 6.758 123 2HB ARG 13 2HB ARG 13 -9.717 4.156 6.037 124 1HG ARG 13 1HG ARG 13 -11.334 3.552 4.638 125 2HG ARG 13 2HG ARG 13 -10.068 2.770 3.735 126 1HD ARG 13 1HD ARG 13 -11.759 1.147 3.820 127 2HD ARG 13 2HD ARG 13 -10.628 0.611 5.065 128 HE ARG 13 HE ARG 13 -12.290 0.787 6.591 129 1HH1 ARG 13 2HH2 ARG 13 -13.207 2.812 3.776 130 2HH1 ARG 13 1HH2 ARG 13 -14.687 3.353 4.515 131 1HH2 ARG 13 2HH1 ARG 13 -14.352 1.344 7.449 132 2HH2 ARG 13 1HH1 ARG 13 -15.484 2.211 6.455 133 H PHE 14 H PHE 14 -8.185 0.810 4.110 134 HA PHE 14 HA PHE 14 -8.367 -1.446 5.850 135 1HB PHE 14 1HB PHE 14 -9.041 -1.880 3.657 136 2HB PHE 14 2HB PHE 14 -7.727 -0.931 2.969 137 HD1 PHE 14 1HD PHE 14 -7.695 -4.005 5.206 138 HD2 PHE 14 2HD PHE 14 -6.892 -2.345 1.316 139 HE1 PHE 14 1HE PHE 14 -6.234 -5.924 4.672 140 HE2 PHE 14 2HE PHE 14 -5.450 -4.286 0.817 141 HZ PHE 14 HZ PHE 14 -4.795 -5.845 2.613 142 H LYS 15 H LYS 15 -6.940 -2.140 7.252 143 HA LYS 15 HA LYS 15 -4.023 -1.677 6.977 144 1HB LYS 15 1HB LYS 15 -3.877 -2.443 9.246 145 2HB LYS 15 2HB LYS 15 -4.912 -1.022 9.110 146 1HG LYS 15 1HG LYS 15 -6.937 -2.403 9.525 147 2HG LYS 15 2HG LYS 15 -6.019 -3.879 9.279 148 1HD LYS 15 1HD LYS 15 -6.100 -3.878 11.534 149 2HD LYS 15 2HD LYS 15 -4.529 -3.148 11.292 150 1HE LYS 15 1HE LYS 15 -7.159 -1.704 11.956 151 2HE LYS 15 2HE LYS 15 -5.820 -2.030 13.074 152 1HZ LYS 15 2HZ LYS 15 -4.470 -0.509 11.728 153 2HZ LYS 15 3HZ LYS 15 -5.835 -0.207 10.769 154 3HZ LYS 15 1HZ LYS 15 -5.798 0.201 12.331 155 H TRP 16 H TRP 16 -2.595 -3.575 7.058 156 HA TRP 16 HA TRP 16 -3.828 -5.946 5.816 157 1HB TRP 16 1HB TRP 16 -1.002 -5.180 6.547 158 2HB TRP 16 2HB TRP 16 -1.447 -6.851 6.227 159 HD1 TRP 16 HD TRP 16 -0.497 -3.782 4.358 160 HE1 TRP 16 1HE TRP 16 -0.471 -4.300 1.826 161 HE3 TRP 16 3HE TRP 16 -3.165 -8.121 4.407 162 HZ2 TRP 16 2HZ TRP 16 -1.640 -6.234 0.066 163 HZ3 TRP 16 3HZ TRP 16 -3.809 -9.213 2.286 164 HH2 TRP 16 HH TRP 16 -2.962 -8.343 0.116 165 H GLY 17 H GLY 17 -4.118 -7.910 6.782 166 1HA GLY 17 1HA GLY 17 -4.445 -7.856 9.763 167 2HA GLY 17 2HA GLY 17 -5.654 -8.412 8.593 168 HA PRO 18 HA PRO 18 -2.698 -11.840 9.898 169 1HB PRO 18 1HB PRO 18 -4.319 -13.474 11.314 170 2HB PRO 18 2HB PRO 18 -3.663 -11.977 12.049 171 1HG PRO 18 1HG PRO 18 -6.327 -12.365 10.701 172 2HG PRO 18 2HG PRO 18 -6.088 -11.719 12.323 173 1HD PRO 18 1HD PRO 18 -6.402 -10.122 10.114 174 2HD PRO 18 2HD PRO 18 -5.269 -9.639 11.404 175 H ALA 19 H ALA 19 -2.743 -13.978 9.035 176 HA ALA 19 HA ALA 19 -3.160 -15.754 7.841 177 1HB ALA 19 1HB ALA 19 -5.431 -15.631 8.797 178 2HB ALA 19 2HB ALA 19 -5.966 -14.749 7.346 179 3HB ALA 19 3HB ALA 19 -5.316 -16.413 7.207 180 H SER 20 H SER 20 -4.705 -12.992 6.465 181 HA SER 20 HA SER 20 -3.870 -12.780 3.842 182 1HB SER 20 1HB SER 20 -4.487 -11.033 6.146 183 2HB SER 20 2HB SER 20 -3.265 -10.323 5.121 184 HG SER 20 HG SER 20 -5.834 -11.329 4.292 185 H GLN 21 H GLN 21 -1.826 -12.023 6.774 186 HA GLN 21 HA GLN 21 0.468 -11.358 5.277 187 1HB GLN 21 1HB GLN 21 0.475 -12.811 7.940 188 2HB GLN 21 2HB GLN 21 1.811 -11.877 7.287 189 1HG GLN 21 1HG GLN 21 -0.851 -10.836 8.279 190 2HG GLN 21 2HG GLN 21 0.683 -10.718 9.111 191 1HE2 GLN 21 2HE2 GLN 21 1.525 -8.382 6.039 192 2HE2 GLN 21 1HE2 GLN 21 1.750 -10.107 6.119 193 H GLN 22 H GLN 22 -0.748 -14.593 6.136 194 HA GLN 22 HA GLN 22 1.680 -16.064 5.562 195 1HB GLN 22 1HB GLN 22 -1.251 -16.956 5.352 196 2HB GLN 22 2HB GLN 22 0.163 -17.999 5.286 197 1HG GLN 22 1HG GLN 22 0.762 -17.605 7.469 198 2HG GLN 22 2HG GLN 22 -0.209 -16.132 7.603 199 1HE2 GLN 22 2HE2 GLN 22 -2.651 -19.433 7.627 200 2HE2 GLN 22 1HE2 GLN 22 -1.594 -19.225 6.272 201 H ILE 23 H ILE 23 -1.263 -15.040 3.807 202 HA ILE 23 HA ILE 23 -0.484 -16.337 1.512 203 HB ILE 23 HB ILE 23 -2.396 -14.017 1.961 204 1HG1 ILE 23 1HG1 ILE 23 -4.026 -15.695 1.080 205 2HG1 ILE 23 2HG1 ILE 23 -2.738 -16.920 1.089 206 1HG2 ILE 23 3HG2 ILE 23 -1.760 -15.263 -0.745 207 2HG2 ILE 23 1HG2 ILE 23 -3.125 -14.177 -0.406 208 3HG2 ILE 23 2HG2 ILE 23 -1.492 -13.573 -0.268 209 1HD1 ILE 23 2HD1 ILE 23 -3.931 -15.369 3.415 210 2HD1 ILE 23 3HD1 ILE 23 -4.266 -17.063 2.967 211 3HD1 ILE 23 1HD1 ILE 23 -2.669 -16.637 3.568 212 H LEU 24 H LEU 24 0.124 -12.987 2.621 213 HA LEU 24 HA LEU 24 1.429 -12.013 0.300 214 1HB LEU 24 1HB LEU 24 1.904 -11.391 3.268 215 2HB LEU 24 2HB LEU 24 2.696 -10.554 1.952 216 HG LEU 24 HG LEU 24 -0.266 -10.518 2.574 217 1HD1 LEU 24 1HD1 LEU 24 1.278 -9.044 3.861 218 2HD1 LEU 24 2HD1 LEU 24 1.829 -8.325 2.342 219 3HD1 LEU 24 3HD1 LEU 24 0.144 -8.134 2.848 220 1HD2 LEU 24 2HD2 LEU 24 1.213 -9.725 0.072 221 2HD2 LEU 24 3HD2 LEU 24 -0.350 -10.543 0.246 222 3HD2 LEU 24 1HD2 LEU 24 -0.208 -8.809 0.578 223 H PHE 25 H PHE 25 2.929 -13.563 3.159 224 HA PHE 25 HA PHE 25 5.544 -13.760 2.121 225 1HB PHE 25 1HB PHE 25 4.026 -15.591 4.027 226 2HB PHE 25 2HB PHE 25 5.728 -15.756 3.630 227 HD1 PHE 25 1HD PHE 25 7.312 -13.757 3.999 228 HD2 PHE 25 2HD PHE 25 3.548 -14.322 6.012 229 HE1 PHE 25 1HE PHE 25 8.150 -12.483 5.959 230 HE2 PHE 25 2HE PHE 25 4.282 -12.777 7.807 231 HZ PHE 25 HZ PHE 25 6.626 -11.970 7.858 232 H GLN 26 H GLN 26 2.810 -16.102 1.792 233 HA GLN 26 HA GLN 26 4.382 -18.035 0.461 234 1HB GLN 26 1HB GLN 26 2.605 -19.327 0.283 235 2HB GLN 26 2HB GLN 26 2.018 -18.275 1.559 236 1HG GLN 26 1HG GLN 26 0.757 -17.008 -0.300 237 2HG GLN 26 2HG GLN 26 1.287 -18.285 -1.399 238 1HE2 GLN 26 2HE2 GLN 26 -2.055 -19.439 -0.453 239 2HE2 GLN 26 1HE2 GLN 26 -1.340 -18.356 -1.583 240 H ALA 27 H ALA 27 2.338 -15.387 -0.883 241 HA ALA 27 HA ALA 27 2.694 -16.115 -3.595 242 1HB ALA 27 3HB ALA 27 1.026 -14.503 -2.763 243 2HB ALA 27 1HB ALA 27 2.324 -13.349 -2.372 244 3HB ALA 27 2HB ALA 27 2.031 -13.826 -4.067 245 H TYR 28 H TYR 28 4.623 -14.088 -1.355 246 HA TYR 28 HA TYR 28 6.527 -13.368 -3.335 247 1HB TYR 28 1HB TYR 28 6.017 -12.298 -1.026 248 2HB TYR 28 2HB TYR 28 7.055 -13.532 -0.347 249 HD1 TYR 28 2HD TYR 28 7.924 -11.836 -3.614 250 HD2 TYR 28 1HD TYR 28 8.360 -11.722 0.683 251 HE1 TYR 28 2HE TYR 28 9.768 -10.254 -3.849 252 HE2 TYR 28 1HE TYR 28 10.166 -10.033 0.405 253 HH TYR 28 HH TYR 28 11.601 -9.138 -2.622 254 H GLU 29 H GLU 29 6.038 -16.362 -1.715 255 HA GLU 29 HA GLU 29 8.708 -17.410 -2.396 256 1HB GLU 29 1HB GLU 29 8.214 -18.937 -0.879 257 2HB GLU 29 2HB GLU 29 6.636 -18.247 -0.600 258 1HG GLU 29 1HG GLU 29 5.575 -19.759 -2.097 259 2HG GLU 29 2HG GLU 29 7.106 -20.219 -2.870 260 H ARG 30 H ARG 30 5.323 -17.488 -3.558 261 HA ARG 30 HA ARG 30 5.815 -19.600 -5.392 262 1HB ARG 30 1HB ARG 30 3.566 -17.525 -5.377 263 2HB ARG 30 2HB ARG 30 3.588 -18.982 -6.355 264 1HG ARG 30 1HG ARG 30 3.407 -18.907 -3.321 265 2HG ARG 30 2HG ARG 30 2.102 -19.225 -4.449 266 1HD ARG 30 1HD ARG 30 3.319 -21.252 -5.231 267 2HD ARG 30 2HD ARG 30 4.590 -20.930 -4.023 268 HE ARG 30 HE ARG 30 2.147 -21.036 -2.605 269 1HH1 ARG 30 2HH2 ARG 30 4.257 -23.114 -4.502 270 2HH1 ARG 30 1HH2 ARG 30 3.893 -24.569 -3.606 271 1HH2 ARG 30 2HH1 ARG 30 1.589 -22.889 -1.482 272 2HH2 ARG 30 1HH1 ARG 30 2.151 -24.483 -1.946 273 H GLN 31 H GLN 31 5.417 -16.047 -5.914 274 HA GLN 31 HA GLN 31 7.215 -16.275 -8.248 275 1HB GLN 31 1HB GLN 31 4.743 -16.414 -8.976 276 2HB GLN 31 2HB GLN 31 4.632 -14.717 -8.485 277 1HG GLN 31 1HG GLN 31 6.518 -14.208 -10.091 278 2HG GLN 31 2HG GLN 31 6.577 -15.922 -10.521 279 1HE2 GLN 31 2HE2 GLN 31 3.213 -13.793 -11.619 280 2HE2 GLN 31 1HE2 GLN 31 4.289 -13.162 -10.371 281 H LYS 32 H LYS 32 8.801 -14.840 -7.826 282 HA LYS 32 HA LYS 32 8.508 -12.746 -5.794 283 1HB LYS 32 1HB LYS 32 10.623 -13.305 -7.915 284 2HB LYS 32 2HB LYS 32 10.712 -11.984 -6.768 285 1HG LYS 32 1HG LYS 32 10.573 -14.919 -5.934 286 2HG LYS 32 2HG LYS 32 12.059 -13.993 -6.257 287 1HD LYS 32 1HD LYS 32 11.489 -12.354 -4.505 288 2HD LYS 32 2HD LYS 32 10.023 -13.261 -4.146 289 1HE LYS 32 1HE LYS 32 11.921 -13.653 -2.585 290 2HE LYS 32 2HE LYS 32 11.232 -15.123 -3.311 291 1HZ LYS 32 1HZ LYS 32 13.126 -15.170 -4.823 292 2HZ LYS 32 2HZ LYS 32 13.801 -13.855 -4.081 293 3HZ LYS 32 3HZ LYS 32 13.586 -15.273 -3.273 294 H ASN 33 H ASN 33 8.541 -13.055 -9.347 295 HA ASN 33 HA ASN 33 8.490 -10.194 -9.682 296 1HB ASN 33 1HB ASN 33 8.871 -12.504 -11.421 297 2HB ASN 33 2HB ASN 33 7.822 -11.308 -12.172 298 1HD2 ASN 33 2HD2 ASN 33 11.739 -10.276 -11.418 299 2HD2 ASN 33 1HD2 ASN 33 11.114 -11.768 -10.756 300 HA PRO 34 HA PRO 34 4.073 -9.839 -9.443 301 1HB PRO 34 1HB PRO 34 3.742 -7.174 -10.030 302 2HB PRO 34 2HB PRO 34 4.572 -7.751 -8.557 303 1HG PRO 34 1HG PRO 34 5.801 -6.982 -11.219 304 2HG PRO 34 2HG PRO 34 6.212 -6.289 -9.640 305 1HD PRO 34 1HD PRO 34 7.661 -8.331 -10.657 306 2HD PRO 34 2HD PRO 34 7.213 -8.354 -8.935 307 H SER 35 H SER 35 4.068 -11.384 -11.424 308 HA SER 35 HA SER 35 4.019 -10.197 -14.064 309 1HB SER 35 1HB SER 35 4.729 -12.558 -13.500 310 2HB SER 35 2HB SER 35 3.006 -12.966 -13.387 311 HG SER 35 HG SER 35 3.409 -13.347 -15.406 312 H LYS 36 H LYS 36 1.262 -12.010 -12.560 313 HA LYS 36 HA LYS 36 -0.678 -10.051 -13.271 314 1HB LYS 36 1HB LYS 36 -1.623 -11.551 -15.210 315 2HB LYS 36 2HB LYS 36 -0.389 -10.334 -15.516 316 1HG LYS 36 1HG LYS 36 1.343 -11.891 -15.731 317 2HG LYS 36 2HG LYS 36 0.459 -13.207 -14.995 318 1HD LYS 36 1HD LYS 36 0.778 -13.459 -17.392 319 2HD LYS 36 2HD LYS 36 -0.936 -13.454 -16.971 320 1HE LYS 36 1HE LYS 36 -1.305 -11.303 -17.890 321 2HE LYS 36 2HE LYS 36 0.393 -10.834 -17.722 322 1HZ LYS 36 2HZ LYS 36 0.978 -12.295 -19.488 323 2HZ LYS 36 3HZ LYS 36 -0.618 -12.707 -19.762 324 3HZ LYS 36 1HZ LYS 36 -0.101 -11.142 -19.927 325 H GLU 37 H GLU 37 -1.097 -13.478 -14.018 326 HA GLU 37 HA GLU 37 -3.050 -14.329 -12.543 327 1HB GLU 37 1HB GLU 37 -0.987 -15.494 -13.939 328 2HB GLU 37 2HB GLU 37 -0.598 -16.101 -12.340 329 1HG GLU 37 1HG GLU 37 -2.772 -17.199 -12.185 330 2HG GLU 37 2HG GLU 37 -3.324 -16.392 -13.666 331 H GLU 38 H GLU 38 0.226 -14.360 -11.250 332 HA GLU 38 HA GLU 38 0.118 -14.867 -8.606 333 1HB GLU 38 1HB GLU 38 2.183 -14.403 -9.268 334 2HB GLU 38 2HB GLU 38 1.695 -13.114 -10.369 335 1HG GLU 38 1HG GLU 38 1.747 -12.643 -7.380 336 2HG GLU 38 2HG GLU 38 3.197 -12.545 -8.363 337 H ARG 39 H ARG 39 -0.838 -11.672 -9.970 338 HA ARG 39 HA ARG 39 -1.279 -10.599 -7.371 339 1HB ARG 39 1HB ARG 39 -1.012 -9.579 -9.886 340 2HB ARG 39 2HB ARG 39 -2.703 -9.186 -9.508 341 1HG ARG 39 1HG ARG 39 -2.062 -8.135 -7.392 342 2HG ARG 39 2HG ARG 39 -0.386 -8.602 -7.607 343 1HD ARG 39 1HD ARG 39 -1.961 -6.448 -8.977 344 2HD ARG 39 2HD ARG 39 -0.328 -6.364 -8.305 345 HE ARG 39 HE ARG 39 -1.169 -7.030 -10.991 346 1HH1 ARG 39 2HH2 ARG 39 1.125 -8.394 -8.744 347 2HH1 ARG 39 1HH2 ARG 39 2.020 -9.017 -9.959 348 1HH2 ARG 39 2HH1 ARG 39 0.529 -7.312 -12.625 349 2HH2 ARG 39 1HH1 ARG 39 2.053 -7.951 -12.111 350 H GLU 40 H GLU 40 -3.409 -11.959 -9.888 351 HA GLU 40 HA GLU 40 -5.899 -11.378 -8.609 352 1HB GLU 40 1HB GLU 40 -4.965 -12.675 -11.003 353 2HB GLU 40 2HB GLU 40 -6.125 -13.751 -10.214 354 1HG GLU 40 1HG GLU 40 -7.884 -12.411 -10.665 355 2HG GLU 40 2HG GLU 40 -7.043 -10.920 -10.319 356 H THR 41 H THR 41 -3.838 -14.261 -8.701 357 HA THR 41 HA THR 41 -4.967 -15.914 -6.786 358 HB THR 41 HB THR 41 -2.247 -15.303 -7.825 359 HG1 THR 41 1HG THR 41 -3.238 -17.843 -7.362 360 1HG2 THR 41 3HG2 THR 41 -2.537 -16.857 -5.266 361 2HG2 THR 41 1HG2 THR 41 -1.147 -16.993 -6.366 362 3HG2 THR 41 2HG2 THR 41 -1.494 -15.458 -5.580 363 H LEU 42 H LEU 42 -2.589 -13.259 -6.205 364 HA LEU 42 HA LEU 42 -2.530 -13.509 -3.436 365 1HB LEU 42 1HB LEU 42 -1.765 -11.482 -5.426 366 2HB LEU 42 2HB LEU 42 -2.268 -10.713 -3.930 367 HG LEU 42 HG LEU 42 -0.411 -13.083 -3.799 368 1HD1 LEU 42 1HD1 LEU 42 0.439 -10.265 -4.533 369 2HD1 LEU 42 2HD1 LEU 42 1.505 -11.553 -3.955 370 3HD1 LEU 42 3HD1 LEU 42 0.638 -11.741 -5.494 371 1HD2 LEU 42 2HD2 LEU 42 -1.452 -11.925 -1.767 372 2HD2 LEU 42 3HD2 LEU 42 0.325 -11.966 -1.769 373 3HD2 LEU 42 1HD2 LEU 42 -0.535 -10.475 -2.209 374 H VAL 43 H VAL 43 -4.652 -11.293 -5.298 375 HA VAL 43 HA VAL 43 -5.882 -10.324 -2.897 376 HB VAL 43 HB VAL 43 -6.907 -10.194 -5.763 377 1HG1 VAL 43 1HG1 VAL 43 -7.725 -8.813 -3.177 378 2HG1 VAL 43 2HG1 VAL 43 -8.136 -8.149 -4.767 379 3HG1 VAL 43 3HG1 VAL 43 -8.763 -9.731 -4.282 380 1HG2 VAL 43 2HG2 VAL 43 -5.273 -8.277 -4.022 381 2HG2 VAL 43 3HG2 VAL 43 -4.721 -9.069 -5.510 382 3HG2 VAL 43 1HG2 VAL 43 -6.005 -7.859 -5.572 383 H GLU 44 H GLU 44 -6.706 -13.012 -5.095 384 HA GLU 44 HA GLU 44 -9.215 -13.670 -3.958 385 1HB GLU 44 1HB GLU 44 -8.428 -14.452 -6.124 386 2HB GLU 44 2HB GLU 44 -7.101 -15.340 -5.391 387 1HG GLU 44 1HG GLU 44 -8.914 -16.809 -6.080 388 2HG GLU 44 2HG GLU 44 -8.605 -16.904 -4.342 389 H GLU 45 H GLU 45 -6.063 -15.242 -3.447 390 HA GLU 45 HA GLU 45 -6.763 -16.944 -1.381 391 1HB GLU 45 1HB GLU 45 -4.363 -16.018 -2.677 392 2HB GLU 45 2HB GLU 45 -4.032 -16.140 -1.002 393 1HG GLU 45 1HG GLU 45 -3.909 -18.367 -1.053 394 2HG GLU 45 2HG GLU 45 -5.388 -18.550 -1.998 395 H CYS 46 H CYS 46 -5.564 -13.547 -1.207 396 HA CYS 46 HA CYS 46 -5.450 -13.486 1.673 397 1HB CYS 46 1HB CYS 46 -5.434 -11.403 -0.521 398 2HB CYS 46 2HB CYS 46 -5.797 -10.872 1.121 399 HG CYS 46 HG CYS 46 -3.767 -11.516 2.283 400 H ASN 47 H ASN 47 -7.966 -12.557 -0.736 401 HA ASN 47 HA ASN 47 -9.963 -11.464 0.950 402 1HB ASN 47 1HB ASN 47 -9.928 -12.820 -1.735 403 2HB ASN 47 2HB ASN 47 -11.397 -13.069 -0.847 404 1HD2 ASN 47 2HD2 ASN 47 -10.579 -9.420 -2.424 405 2HD2 ASN 47 1HD2 ASN 47 -9.371 -10.705 -2.378 406 H ARG 48 H ARG 48 -9.491 -14.757 -0.160 407 HA ARG 48 HA ARG 48 -11.498 -16.081 1.216 408 1HB ARG 48 1HB ARG 48 -10.009 -16.793 -0.673 409 2HB ARG 48 2HB ARG 48 -8.710 -17.123 0.474 410 1HG ARG 48 1HG ARG 48 -9.969 -18.885 1.515 411 2HG ARG 48 2HG ARG 48 -11.448 -18.415 0.656 412 1HD ARG 48 1HD ARG 48 -8.869 -19.338 -0.719 413 2HD ARG 48 2HD ARG 48 -10.210 -20.418 -0.388 414 HE ARG 48 HE ARG 48 -10.016 -18.407 -2.507 415 1HH1 ARG 48 2HH2 ARG 48 -12.360 -20.085 -0.424 416 2HH1 ARG 48 1HH2 ARG 48 -13.624 -20.037 -1.608 417 1HH2 ARG 48 2HH1 ARG 48 -11.734 -18.200 -3.950 418 2HH2 ARG 48 1HH1 ARG 48 -13.098 -19.293 -3.865 419 H ALA 49 H ALA 49 -8.064 -15.595 2.166 420 HA ALA 49 HA ALA 49 -8.329 -16.798 4.739 421 1HB ALA 49 3HB ALA 49 -6.208 -16.366 3.593 422 2HB ALA 49 1HB ALA 49 -6.393 -14.615 3.896 423 3HB ALA 49 2HB ALA 49 -6.220 -15.755 5.254 424 H GLU 50 H GLU 50 -8.907 -13.401 3.755 425 HA GLU 50 HA GLU 50 -9.390 -12.654 6.544 426 1HB GLU 50 1HB GLU 50 -9.440 -11.282 3.918 427 2HB GLU 50 2HB GLU 50 -10.354 -10.577 5.276 428 1HG GLU 50 1HG GLU 50 -7.479 -11.379 5.728 429 2HG GLU 50 2HG GLU 50 -7.852 -9.896 4.832 430 H CYS 51 H CYS 51 -11.270 -14.244 4.106 431 HA CYS 51 HA CYS 51 -13.756 -13.772 5.472 432 1HB CYS 51 1HB CYS 51 -14.734 -15.185 4.128 433 2HB CYS 51 2HB CYS 51 -13.247 -15.157 3.158 434 HG CYS 51 HG CYS 51 -12.305 -17.365 4.310 435 H ILE 52 H ILE 52 -10.977 -15.946 6.105 436 HA ILE 52 HA ILE 52 -12.457 -17.728 7.796 437 HB ILE 52 HB ILE 52 -9.450 -17.164 7.656 438 1HG1 ILE 52 1HG1 ILE 52 -11.138 -19.357 6.360 439 2HG1 ILE 52 2HG1 ILE 52 -10.468 -17.959 5.516 440 1HG2 ILE 52 3HG2 ILE 52 -10.926 -19.485 8.932 441 2HG2 ILE 52 1HG2 ILE 52 -9.168 -19.356 8.735 442 3HG2 ILE 52 2HG2 ILE 52 -10.002 -18.223 9.780 443 1HD1 ILE 52 3HD1 ILE 52 -8.154 -18.716 6.254 444 2HD1 ILE 52 1HD1 ILE 52 -8.919 -20.250 6.741 445 3HD1 ILE 52 2HD1 ILE 52 -8.985 -19.719 5.060 446 H GLN 53 H GLN 53 -10.622 -14.766 8.363 447 HA GLN 53 HA GLN 53 -10.614 -14.650 11.174 448 1HB GLN 53 1HB GLN 53 -10.964 -12.536 9.034 449 2HB GLN 53 2HB GLN 53 -11.340 -12.101 10.688 450 1HG GLN 53 1HG GLN 53 -9.028 -11.562 10.461 451 2HG GLN 53 2HG GLN 53 -9.143 -12.975 11.498 452 1HE2 GLN 53 2HE2 GLN 53 -7.167 -13.009 7.943 453 2HE2 GLN 53 1HE2 GLN 53 -8.423 -11.812 8.237 454 H ARG 54 H ARG 54 -13.404 -14.511 9.055 455 HA ARG 54 HA ARG 54 -15.089 -14.017 11.395 456 1HB ARG 54 1HB ARG 54 -14.524 -12.186 9.087 457 2HB ARG 54 2HB ARG 54 -16.227 -12.364 9.405 458 1HG ARG 54 1HG ARG 54 -14.076 -11.348 11.298 459 2HG ARG 54 2HG ARG 54 -15.464 -10.500 10.611 460 1HD ARG 54 1HD ARG 54 -15.309 -12.251 12.995 461 2HD ARG 54 2HD ARG 54 -16.382 -10.873 12.676 462 HE ARG 54 HE ARG 54 -17.113 -12.965 10.943 463 1HH1 ARG 54 2HH2 ARG 54 -16.905 -12.667 14.463 464 2HH1 ARG 54 1HH2 ARG 54 -17.869 -14.090 14.735 465 1HH2 ARG 54 2HH1 ARG 54 -18.477 -14.782 11.335 466 2HH2 ARG 54 1HH1 ARG 54 -19.128 -14.960 12.956 467 H GLY 55 H GLY 55 -14.555 -16.128 9.077 468 1HA GLY 55 1HA GLY 55 -15.802 -17.782 8.137 469 2HA GLY 55 2HA GLY 55 -17.263 -17.201 8.934 470 H VAL 56 H VAL 56 -17.843 -14.847 8.126 471 HA VAL 56 HA VAL 56 -18.682 -13.516 6.518 472 HB VAL 56 HB VAL 56 -15.910 -14.081 5.762 473 1HG1 VAL 56 1HG1 VAL 56 -16.800 -14.535 3.516 474 2HG1 VAL 56 2HG1 VAL 56 -17.587 -12.949 3.516 475 3HG1 VAL 56 3HG1 VAL 56 -15.836 -13.057 3.606 476 1HG2 VAL 56 1HG2 VAL 56 -16.833 -12.140 7.087 477 2HG2 VAL 56 2HG2 VAL 56 -15.669 -11.790 5.817 478 3HG2 VAL 56 3HG2 VAL 56 -17.394 -11.471 5.534 479 H SER 57 H SER 57 -19.640 -13.502 4.144 480 HA SER 57 HA SER 57 -20.715 -16.214 3.701 481 1HB SER 57 1HB SER 57 -21.591 -13.546 3.116 482 2HB SER 57 2HB SER 57 -21.472 -14.496 1.628 483 HG SER 57 HG SER 57 -23.508 -14.779 2.748 484 HA PRO 58 HA PRO 58 -16.955 -16.975 1.593 485 1HB PRO 58 1HB PRO 58 -17.647 -19.081 -0.102 486 2HB PRO 58 2HB PRO 58 -17.312 -19.232 1.644 487 1HG PRO 58 1HG PRO 58 -19.988 -18.979 0.258 488 2HG PRO 58 2HG PRO 58 -19.526 -20.106 1.565 489 1HD PRO 58 1HD PRO 58 -20.896 -17.834 2.093 490 2HD PRO 58 2HD PRO 58 -19.583 -18.362 3.195 491 H SER 59 H SER 59 -19.860 -16.675 -0.456 492 HA SER 59 HA SER 59 -18.397 -15.903 -2.830 493 1HB SER 59 1HB SER 59 -20.919 -15.387 -3.451 494 2HB SER 59 2HB SER 59 -20.411 -17.060 -3.185 495 HG SER 59 HG SER 59 -21.930 -15.398 -1.494 496 H GLN 60 H GLN 60 -18.785 -14.202 -0.025 497 HA GLN 60 HA GLN 60 -18.524 -11.624 -1.459 498 1HB GLN 60 1HB GLN 60 -20.215 -12.059 1.037 499 2HB GLN 60 2HB GLN 60 -19.793 -10.493 0.323 500 1HG GLN 60 1HG GLN 60 -21.719 -10.615 -0.777 501 2HG GLN 60 2HG GLN 60 -20.930 -11.781 -1.843 502 1HE2 GLN 60 2HE2 GLN 60 -23.618 -13.007 1.064 503 2HE2 GLN 60 1HE2 GLN 60 -22.638 -11.564 1.336 504 H ALA 61 H ALA 61 -16.360 -12.914 -0.969 505 HA ALA 61 HA ALA 61 -15.237 -12.144 1.648 506 1HB ALA 61 1HB ALA 61 -14.289 -14.096 0.447 507 2HB ALA 61 2HB ALA 61 -13.839 -13.025 -0.900 508 3HB ALA 61 3HB ALA 61 -13.112 -12.800 0.710 509 H GLN 62 H GLN 62 -15.733 -10.897 -1.569 510 HA GLN 62 HA GLN 62 -14.261 -8.478 -1.272 511 1HB GLN 62 1HB GLN 62 -15.026 -8.744 -3.368 512 2HB GLN 62 2HB GLN 62 -16.656 -9.188 -2.870 513 1HG GLN 62 1HG GLN 62 -15.629 -6.363 -2.477 514 2HG GLN 62 2HG GLN 62 -16.249 -6.917 -4.008 515 1HE2 GLN 62 2HE2 GLN 62 -18.919 -5.984 -1.089 516 2HE2 GLN 62 1HE2 GLN 62 -17.198 -5.877 -0.782 517 H GLY 63 H GLY 63 -17.221 -9.567 0.227 518 1HA GLY 63 1HA GLY 63 -18.464 -7.312 1.212 519 2HA GLY 63 2HA GLY 63 -18.366 -8.877 2.046 520 H LEU 64 H LEU 64 -15.507 -8.891 2.426 521 HA LEU 64 HA LEU 64 -14.947 -7.907 4.898 522 1HB LEU 64 1HB LEU 64 -13.305 -8.077 2.358 523 2HB LEU 64 2HB LEU 64 -12.596 -7.441 3.828 524 HG LEU 64 HG LEU 64 -12.564 -9.395 4.968 525 1HD1 LEU 64 1HD1 LEU 64 -14.581 -10.659 3.167 526 2HD1 LEU 64 2HD1 LEU 64 -13.663 -11.426 4.466 527 3HD1 LEU 64 3HD1 LEU 64 -14.784 -10.088 4.825 528 1HD2 LEU 64 2HD2 LEU 64 -12.128 -10.070 2.015 529 2HD2 LEU 64 3HD2 LEU 64 -10.930 -9.469 3.171 530 3HD2 LEU 64 1HD2 LEU 64 -11.634 -11.096 3.352 531 H GLY 65 H GLY 65 -14.879 -5.955 1.931 532 1HA GLY 65 1HA GLY 65 -14.790 -3.710 1.587 533 2HA GLY 65 2HA GLY 65 -15.728 -3.624 3.093 534 H SER 66 H SER 66 -14.607 -3.126 5.070 535 HA SER 66 HA SER 66 -12.325 -1.374 4.764 536 1HB SER 66 1HB SER 66 -14.132 -1.137 6.499 537 2HB SER 66 2HB SER 66 -13.485 -2.565 7.308 538 HG SER 66 HG SER 66 -11.642 -1.425 7.796 539 H ASN 67 H ASN 67 -12.794 -4.811 5.504 540 HA ASN 67 HA ASN 67 -9.912 -5.194 6.178 541 1HB ASN 67 1HB ASN 67 -12.324 -7.041 6.052 542 2HB ASN 67 2HB ASN 67 -10.671 -7.639 6.157 543 1HD2 ASN 67 2HD2 ASN 67 -12.372 -6.211 9.496 544 2HD2 ASN 67 1HD2 ASN 67 -13.180 -5.772 7.991 545 H LEU 68 H LEU 68 -11.766 -4.888 3.287 546 HA LEU 68 HA LEU 68 -11.043 -7.315 2.047 547 1HB LEU 68 1HB LEU 68 -12.879 -6.041 1.210 548 2HB LEU 68 2HB LEU 68 -11.848 -4.641 0.853 549 HG LEU 68 HG LEU 68 -10.697 -5.973 -0.898 550 1HD1 LEU 68 2HD1 LEU 68 -12.630 -8.097 0.075 551 2HD1 LEU 68 3HD1 LEU 68 -11.935 -8.128 -1.561 552 3HD1 LEU 68 1HD1 LEU 68 -10.886 -8.236 -0.140 553 1HD2 LEU 68 1HD2 LEU 68 -13.700 -5.795 -1.136 554 2HD2 LEU 68 2HD2 LEU 68 -12.485 -4.570 -1.572 555 3HD2 LEU 68 3HD2 LEU 68 -12.573 -6.078 -2.486 556 H VAL 69 H VAL 69 -9.135 -7.881 1.210 557 HA VAL 69 HA VAL 69 -6.883 -6.141 0.715 558 HB VAL 69 HB VAL 69 -6.344 -8.354 1.188 559 1HG1 VAL 69 3HG1 VAL 69 -8.567 -9.064 -0.704 560 2HG1 VAL 69 1HG1 VAL 69 -7.219 -10.165 -0.567 561 3HG1 VAL 69 2HG1 VAL 69 -8.154 -9.730 0.878 562 1HG2 VAL 69 2HG2 VAL 69 -5.026 -7.265 -0.607 563 2HG2 VAL 69 3HG2 VAL 69 -5.042 -9.036 -0.734 564 3HG2 VAL 69 1HG2 VAL 69 -6.035 -8.060 -1.824 565 H THR 70 H THR 70 -6.993 -4.565 -0.810 566 HA THR 70 HA THR 70 -8.231 -5.215 -3.456 567 HB THR 70 HB THR 70 -8.257 -2.826 -3.752 568 HG1 THR 70 1HG THR 70 -6.552 -2.346 -2.209 569 1HG2 THR 70 3HG2 THR 70 -10.228 -3.967 -2.777 570 2HG2 THR 70 1HG2 THR 70 -9.623 -3.610 -1.144 571 3HG2 THR 70 2HG2 THR 70 -10.083 -2.283 -2.233 572 H GLU 71 H GLU 71 -7.018 -4.870 -5.322 573 HA GLU 71 HA GLU 71 -4.504 -5.880 -5.488 574 1HB GLU 71 1HB GLU 71 -5.719 -3.690 -7.309 575 2HB GLU 71 2HB GLU 71 -4.301 -4.645 -7.632 576 1HG GLU 71 1HG GLU 71 -5.814 -5.767 -8.854 577 2HG GLU 71 2HG GLU 71 -5.812 -6.744 -7.395 578 H VAL 72 H VAL 72 -5.384 -2.384 -5.434 579 HA VAL 72 HA VAL 72 -2.848 -1.344 -5.820 580 HB VAL 72 HB VAL 72 -5.060 -0.125 -5.781 581 1HG1 VAL 72 2HG1 VAL 72 -5.820 -0.852 -3.504 582 2HG1 VAL 72 3HG1 VAL 72 -4.553 0.156 -2.775 583 3HG1 VAL 72 1HG1 VAL 72 -5.846 0.905 -3.716 584 1HG2 VAL 72 1HG2 VAL 72 -2.889 1.018 -6.034 585 2HG2 VAL 72 2HG2 VAL 72 -4.089 2.017 -5.198 586 3HG2 VAL 72 3HG2 VAL 72 -2.795 1.231 -4.272 587 H ARG 73 H ARG 73 -4.161 -2.741 -2.873 588 HA ARG 73 HA ARG 73 -2.149 -1.609 -1.114 589 1HB ARG 73 1HB ARG 73 -4.552 -2.753 -0.621 590 2HB ARG 73 2HB ARG 73 -3.543 -4.188 -0.489 591 1HG ARG 73 1HG ARG 73 -3.322 -3.480 1.654 592 2HG ARG 73 2HG ARG 73 -1.972 -2.591 1.007 593 1HD ARG 73 1HD ARG 73 -4.571 -1.128 0.761 594 2HD ARG 73 2HD ARG 73 -4.195 -1.577 2.386 595 HE ARG 73 HE ARG 73 -2.020 -0.239 0.864 596 1HH1 ARG 73 2HH2 ARG 73 -4.382 -0.020 3.539 597 2HH1 ARG 73 1HH2 ARG 73 -4.053 1.641 3.843 598 1HH2 ARG 73 2HH1 ARG 73 -1.357 1.883 1.554 599 2HH2 ARG 73 1HH1 ARG 73 -2.229 2.640 2.849 600 H VAL 74 H VAL 74 -2.699 -4.668 -2.897 601 HA VAL 74 HA VAL 74 -0.390 -6.042 -1.927 602 HB VAL 74 HB VAL 74 -2.065 -6.358 -4.453 603 1HG1 VAL 74 1HG1 VAL 74 0.200 -7.258 -4.907 604 2HG1 VAL 74 2HG1 VAL 74 0.096 -8.222 -3.415 605 3HG1 VAL 74 3HG1 VAL 74 -1.022 -8.523 -4.764 606 1HG2 VAL 74 1HG2 VAL 74 -3.210 -6.871 -2.307 607 2HG2 VAL 74 2HG2 VAL 74 -2.949 -8.320 -3.289 608 3HG2 VAL 74 3HG2 VAL 74 -1.893 -8.000 -1.905 609 H TYR 75 H TYR 75 -1.042 -3.977 -4.767 610 HA TYR 75 HA TYR 75 1.481 -3.977 -5.922 611 1HB TYR 75 1HB TYR 75 -0.803 -2.828 -6.610 612 2HB TYR 75 2HB TYR 75 -0.134 -1.419 -5.798 613 HD1 TYR 75 1HD TYR 75 2.159 -0.536 -6.591 614 HD2 TYR 75 2HD TYR 75 -0.031 -3.574 -8.736 615 HE1 TYR 75 1HE TYR 75 3.625 -0.220 -8.556 616 HE2 TYR 75 2HE TYR 75 1.434 -3.233 -10.701 617 HH TYR 75 HH TYR 75 3.851 -0.624 -10.868 618 H ASN 76 H ASN 76 0.225 -1.778 -3.355 619 HA ASN 76 HA ASN 76 2.687 -0.390 -2.936 620 1HB ASN 76 1HB ASN 76 0.246 -0.795 -1.197 621 2HB ASN 76 2HB ASN 76 1.705 -0.048 -0.557 622 1HD2 ASN 76 2HD2 ASN 76 -0.621 2.137 -3.057 623 2HD2 ASN 76 1HD2 ASN 76 -0.944 0.414 -2.845 624 H TRP 77 H TRP 77 1.454 -3.418 -1.454 625 HA TRP 77 HA TRP 77 3.532 -3.616 0.491 626 1HB TRP 77 1HB TRP 77 2.239 -5.237 1.201 627 2HB TRP 77 2HB TRP 77 1.251 -5.168 -0.238 628 HD1 TRP 77 HD TRP 77 1.514 -7.039 -1.968 629 HE1 TRP 77 1HE TRP 77 2.809 -9.227 -2.162 630 HE3 TRP 77 3HE TRP 77 4.369 -6.628 2.260 631 HZ2 TRP 77 2HZ TRP 77 4.577 -10.753 -0.501 632 HZ3 TRP 77 3HZ TRP 77 5.485 -8.639 3.129 633 HH2 TRP 77 HH TRP 77 5.740 -10.664 1.710 634 H PHE 78 H PHE 78 3.205 -5.303 -2.700 635 HA PHE 78 HA PHE 78 5.838 -6.316 -2.580 636 1HB PHE 78 1HB PHE 78 3.912 -5.893 -4.882 637 2HB PHE 78 2HB PHE 78 5.585 -6.322 -5.202 638 HD1 PHE 78 2HD PHE 78 6.229 -8.325 -3.048 639 HD2 PHE 78 1HD PHE 78 2.956 -7.946 -5.853 640 HE1 PHE 78 2HE PHE 78 5.703 -10.693 -2.755 641 HE2 PHE 78 1HE PHE 78 2.690 -10.391 -5.788 642 HZ PHE 78 HZ PHE 78 3.883 -11.749 -4.059 643 H ALA 79 H ALA 79 4.596 -3.277 -3.937 644 HA ALA 79 HA ALA 79 7.008 -2.355 -5.043 645 1HB ALA 79 3HB ALA 79 4.791 -0.760 -3.703 646 2HB ALA 79 1HB ALA 79 6.069 -0.067 -4.699 647 3HB ALA 79 2HB ALA 79 4.899 -1.174 -5.433 648 H ASN 80 H ASN 80 6.078 -2.614 -1.609 649 HA ASN 80 HA ASN 80 8.431 -0.962 -0.916 650 1HB ASN 80 1HB ASN 80 6.243 -0.772 0.329 651 2HB ASN 80 2HB ASN 80 6.585 -2.362 1.037 652 1HD2 ASN 80 2HD2 ASN 80 9.013 -1.048 3.299 653 2HD2 ASN 80 1HD2 ASN 80 8.011 -2.402 2.811 654 H ARG 81 H ARG 81 7.336 -4.340 -0.609 655 HA ARG 81 HA ARG 81 9.560 -5.533 0.621 656 1HB ARG 81 1HB ARG 81 7.820 -6.458 -1.697 657 2HB ARG 81 2HB ARG 81 9.054 -7.476 -0.997 658 1HG ARG 81 1HG ARG 81 6.748 -6.305 0.622 659 2HG ARG 81 2HG ARG 81 6.746 -7.894 -0.158 660 1HD ARG 81 1HD ARG 81 7.753 -8.789 1.655 661 2HD ARG 81 2HD ARG 81 9.175 -7.865 1.219 662 HE ARG 81 HE ARG 81 7.147 -6.442 2.832 663 1HH1 ARG 81 2HH2 ARG 81 10.012 -8.513 2.979 664 2HH1 ARG 81 1HH2 ARG 81 10.831 -7.541 4.161 665 1HH2 ARG 81 2HH1 ARG 81 8.045 -5.417 4.690 666 2HH2 ARG 81 1HH1 ARG 81 9.606 -5.906 5.267 667 H ARG 82 H ARG 82 9.066 -4.856 -2.851 668 HA ARG 82 HA ARG 82 11.388 -5.442 -4.121 669 1HB ARG 82 1HB ARG 82 9.661 -2.952 -4.111 670 2HB ARG 82 2HB ARG 82 11.112 -2.952 -5.104 671 1HG ARG 82 1HG ARG 82 9.111 -5.197 -5.312 672 2HG ARG 82 2HG ARG 82 8.865 -3.651 -6.148 673 1HD ARG 82 1HD ARG 82 11.052 -3.842 -7.283 674 2HD ARG 82 2HD ARG 82 11.395 -5.367 -6.441 675 HE ARG 82 HE ARG 82 8.942 -5.775 -7.650 676 1HH1 ARG 82 2HH2 ARG 82 12.259 -5.084 -8.757 677 2HH1 ARG 82 1HH2 ARG 82 12.096 -6.151 -10.125 678 1HH2 ARG 82 2HH1 ARG 82 8.933 -7.154 -9.401 679 2HH2 ARG 82 1HH1 ARG 82 9.826 -6.719 -10.852 680 H LYS 83 H LYS 83 10.898 -2.502 -2.118 681 HA LYS 83 HA LYS 83 13.593 -1.696 -2.723 682 1HB LYS 83 1HB LYS 83 11.484 -0.181 -2.459 683 2HB LYS 83 2HB LYS 83 11.704 -0.410 -0.719 684 1HG LYS 83 1HG LYS 83 12.772 1.613 -1.182 685 2HG LYS 83 2HG LYS 83 14.097 0.468 -1.060 686 1HD LYS 83 1HD LYS 83 14.649 1.769 -2.898 687 2HD LYS 83 2HD LYS 83 13.963 0.358 -3.698 688 1HE LYS 83 1HE LYS 83 11.955 2.504 -3.045 689 2HE LYS 83 2HE LYS 83 13.278 3.064 -4.063 690 1HZ LYS 83 2HZ LYS 83 11.498 0.798 -4.762 691 2HZ LYS 83 3HZ LYS 83 11.424 2.302 -5.311 692 3HZ LYS 83 1HZ LYS 83 12.740 1.407 -5.680 693 H GLU 84 H GLU 84 11.892 -2.980 0.097 694 HA GLU 84 HA GLU 84 14.076 -2.961 1.946 695 1HB GLU 84 1HB GLU 84 11.413 -3.805 1.936 696 2HB GLU 84 2HB GLU 84 12.283 -5.334 1.994 697 1HG GLU 84 1HG GLU 84 13.432 -4.650 4.039 698 2HG GLU 84 2HG GLU 84 12.805 -3.000 3.906 699 H GLU 85 H GLU 85 13.308 -5.057 -0.795 700 HA GLU 85 HA GLU 85 15.289 -7.059 -0.040 701 1HB GLU 85 1HB GLU 85 13.302 -7.731 -1.214 702 2HB GLU 85 2HB GLU 85 13.619 -6.651 -2.572 703 1HG GLU 85 1HG GLU 85 15.471 -7.975 -3.331 704 2HG GLU 85 2HG GLU 85 15.612 -8.748 -1.757 705 H ALA 86 H ALA 86 14.917 -4.574 -2.488 706 HA ALA 86 HA ALA 86 17.376 -4.673 -3.779 707 1HB ALA 86 2HB ALA 86 15.366 -3.444 -4.564 708 2HB ALA 86 3HB ALA 86 15.661 -2.216 -3.305 709 3HB ALA 86 1HB ALA 86 16.829 -2.464 -4.608 710 H PHE 87 H PHE 87 16.511 -3.213 -0.661 711 HA PHE 87 HA PHE 87 18.717 -1.557 -0.230 712 1HB PHE 87 1HB PHE 87 16.726 -2.832 1.464 713 2HB PHE 87 2HB PHE 87 18.291 -2.885 2.237 714 HD1 PHE 87 1HD PHE 87 15.867 -0.543 0.553 715 HD2 PHE 87 2HD PHE 87 19.066 -0.975 3.417 716 HE1 PHE 87 1HE PHE 87 15.546 1.798 1.276 717 HE2 PHE 87 2HE PHE 87 18.858 1.421 3.991 718 HZ PHE 87 HZ PHE 87 17.066 2.801 2.953 719 H ARG 88 H ARG 88 18.570 -5.054 0.706 720 HA ARG 88 HA ARG 88 21.365 -5.181 1.275 721 1HB ARG 88 1HB ARG 88 19.595 -6.864 1.979 722 2HB ARG 88 2HB ARG 88 19.569 -7.410 0.296 723 1HG ARG 88 1HG ARG 88 21.066 -8.912 0.991 724 2HG ARG 88 2HG ARG 88 22.262 -7.644 0.792 725 1HD ARG 88 1HD ARG 88 20.865 -8.454 3.384 726 2HD ARG 88 2HD ARG 88 22.507 -8.845 2.850 727 HE ARG 88 HE ARG 88 21.846 -5.953 3.201 728 1HH1 ARG 88 2HH2 ARG 88 22.931 -8.898 4.863 729 2HH1 ARG 88 1HH2 ARG 88 23.748 -8.017 6.120 730 1HH2 ARG 88 2HH1 ARG 88 23.231 -4.817 4.647 731 2HH2 ARG 88 1HH1 ARG 88 23.710 -5.656 6.078 732 H HIS 89 H HIS 89 19.564 -5.330 -1.774 733 HA HIS 89 HA HIS 89 21.632 -6.521 -3.319 734 1HB HIS 89 1HB HIS 89 19.123 -6.130 -3.849 735 2HB HIS 89 2HB HIS 89 19.665 -4.571 -4.509 736 HD1 HIS 89 1HD HIS 89 20.845 -8.273 -4.843 737 HD2 HIS 89 2HD HIS 89 19.920 -4.829 -7.086 738 HE1 HIS 89 1HE HIS 89 20.986 -8.937 -7.302 739 H LYS 90 H LYS 90 20.871 -3.133 -2.536 740 HA LYS 90 HA LYS 90 23.181 -2.170 -4.081 741 1HB LYS 90 1HB LYS 90 22.685 0.054 -3.246 742 2HB LYS 90 2HB LYS 90 21.395 -0.689 -4.146 743 1HG LYS 90 1HG LYS 90 20.274 -1.208 -1.938 744 2HG LYS 90 2HG LYS 90 21.539 -0.227 -1.174 745 1HD LYS 90 1HD LYS 90 20.802 1.765 -2.350 746 2HD LYS 90 2HD LYS 90 19.779 0.809 -3.416 747 1HE LYS 90 1HE LYS 90 18.395 1.989 -1.801 748 2HE LYS 90 2HE LYS 90 18.239 0.241 -1.637 749 1HZ LYS 90 2HZ LYS 90 19.775 0.422 0.288 750 2HZ LYS 90 3HZ LYS 90 19.750 2.062 0.164 751 3HZ LYS 90 1HZ LYS 90 18.401 1.254 0.508 752 H LEU 91 H LEU 91 22.428 -2.254 -0.520 753 HA LEU 91 HA LEU 91 24.958 -1.200 0.015 754 1HB LEU 91 1HB LEU 91 23.000 -2.518 1.934 755 2HB LEU 91 2HB LEU 91 24.520 -1.732 2.357 756 HG LEU 91 HG LEU 91 23.185 -0.015 2.850 757 1HD1 LEU 91 1HD1 LEU 91 24.586 0.814 1.109 758 2HD1 LEU 91 2HD1 LEU 91 23.345 0.502 -0.125 759 3HD1 LEU 91 3HD1 LEU 91 23.037 1.687 1.157 760 1HD2 LEU 91 3HD2 LEU 91 21.152 -1.223 2.524 761 2HD2 LEU 91 1HD2 LEU 91 21.026 0.484 2.054 762 3HD2 LEU 91 2HD2 LEU 91 21.150 -0.791 0.818 763 H ALA 92 H ALA 92 23.761 -4.302 1.309 764 HA ALA 92 HA ALA 92 24.848 -6.160 1.981 765 1HB ALA 92 1HB ALA 92 24.841 -6.579 -0.449 766 2HB ALA 92 2HB ALA 92 26.434 -5.825 -0.595 767 3HB ALA 92 3HB ALA 92 26.235 -7.314 0.340 768 H MET 93 H MET 93 26.030 -3.521 2.861 769 HA MET 93 HA MET 93 28.217 -4.741 4.282 770 1HB MET 93 1HB MET 93 30.006 -3.187 3.606 771 2HB MET 93 2HB MET 93 29.462 -4.122 2.216 772 1HG MET 93 1HG MET 93 28.244 -2.280 1.309 773 2HG MET 93 2HG MET 93 28.452 -1.311 2.771 774 1HE MET 93 2HE MET 93 30.410 -3.102 -0.140 775 2HE MET 93 3HE MET 93 31.999 -2.324 -0.007 776 3HE MET 93 1HE MET 93 31.459 -3.436 1.261 777 H ASP 94 H ASP 94 25.589 -3.180 4.531 778 HA ASP 94 HA ASP 94 26.406 -0.663 5.782 779 1HB ASP 94 1HB ASP 94 23.954 -0.312 5.844 780 2HB ASP 94 2HB ASP 94 24.680 -0.480 4.247 781 H THR 95 H THR 95 27.470 -2.534 7.208 782 HA THR 95 HA THR 95 27.736 -3.238 9.330 783 HB THR 95 HB THR 95 25.426 -1.344 10.002 784 HG1 THR 95 1HG THR 95 27.661 -0.736 8.780 785 1HG2 THR 95 1HG2 THR 95 27.794 -2.243 11.655 786 2HG2 THR 95 2HG2 THR 95 26.571 -1.056 12.128 787 3HG2 THR 95 3HG2 THR 95 26.121 -2.759 11.904 788 H TYR 96 H TYR 96 24.161 -2.865 9.363 789 HA TYR 96 HA TYR 96 23.989 -5.357 10.851 790 1HB TYR 96 1HB TYR 96 21.996 -3.215 10.041 791 2HB TYR 96 2HB TYR 96 21.492 -4.698 10.838 792 HD1 TYR 96 2HD TYR 96 22.166 -5.297 13.098 793 HD2 TYR 96 1HD TYR 96 23.373 -1.569 11.305 794 HE1 TYR 96 2HE TYR 96 23.084 -4.548 15.269 795 HE2 TYR 96 1HE TYR 96 24.412 -0.880 13.453 796 HH TYR 96 HH TYR 96 25.333 -1.947 15.438 797 H LYS 97 H LYS 97 22.089 -6.780 10.308 798 HA LYS 97 HA LYS 97 22.082 -7.932 7.738 799 1HB LYS 97 1HB LYS 97 20.125 -9.122 8.458 800 2HB LYS 97 2HB LYS 97 21.353 -9.060 9.703 801 1HG LYS 97 1HG LYS 97 19.388 -8.784 10.897 802 2HG LYS 97 2HG LYS 97 20.023 -7.168 10.797 803 1HD LYS 97 1HD LYS 97 18.036 -6.493 10.006 804 2HD LYS 97 2HD LYS 97 18.321 -7.433 8.528 805 1HE LYS 97 1HE LYS 97 17.066 -8.733 10.950 806 2HE LYS 97 2HE LYS 97 16.148 -7.751 9.791 807 1HZ LYS 97 3HZ LYS 97 16.883 -9.125 8.025 808 2HZ LYS 97 1HZ LYS 97 17.671 -10.154 9.110 809 3HZ LYS 97 2HZ LYS 97 16.037 -9.969 9.142 810 H LEU 98 H LEU 98 19.780 -5.532 9.077 811 HA LEU 98 HA LEU 98 18.108 -4.473 8.083 812 1HB LEU 98 1HB LEU 98 20.027 -2.901 8.145 813 2HB LEU 98 2HB LEU 98 20.375 -3.292 6.455 814 HG LEU 98 HG LEU 98 18.063 -2.467 5.833 815 1HD1 LEU 98 1HD1 LEU 98 17.903 -1.705 8.781 816 2HD1 LEU 98 2HD1 LEU 98 16.846 -1.062 7.505 817 3HD1 LEU 98 3HD1 LEU 98 16.793 -2.777 7.891 818 1HD2 LEU 98 1HD2 LEU 98 19.781 -0.491 7.368 819 2HD2 LEU 98 2HD2 LEU 98 19.972 -0.999 5.677 820 3HD2 LEU 98 3HD2 LEU 98 18.536 -0.092 6.156 821 H ASN 99 H ASN 99 17.250 -6.473 7.230 822 HA ASN 99 HA ASN 99 16.489 -6.345 4.481 823 1HB ASN 99 2HB ASN 99 17.437 -8.317 3.699 824 2HB ASN 99 3HB ASN 99 18.809 -7.639 4.574 825 1HD2 ASN 99 2HD2 ASN 99 17.145 -11.235 5.631 826 2HD2 ASN 99 1HD2 ASN 99 16.876 -10.373 4.150 No H/Q in entry = 826 Start of MODEL 12 1 1H MET 0 3H MET 0 -8.439 18.775 10.382 2 2H MET 0 1H MET 0 -9.325 20.204 10.422 3 3H MET 0 2H MET 0 -7.710 20.246 10.283 4 HA MET 0 HA MET 0 -8.239 20.870 12.449 5 1HB MET 0 2HB MET 0 -9.520 18.117 12.724 6 2HB MET 0 3HB MET 0 -9.268 19.287 14.007 7 1HG MET 0 2HG MET 0 -11.478 19.598 13.509 8 2HG MET 0 3HG MET 0 -10.664 20.936 12.702 9 1HE MET 0 1HE MET 0 -12.682 21.532 11.292 10 2HE MET 0 2HE MET 0 -13.662 20.361 10.383 11 3HE MET 0 3HE MET 0 -13.609 20.278 12.157 12 H ALA 1 H ALA 1 -7.303 19.582 14.518 13 HA ALA 1 HA ALA 1 -5.580 17.499 14.458 14 1HB ALA 1 3HB ALA 1 -4.047 20.010 13.670 15 2HB ALA 1 1HB ALA 1 -3.310 18.567 14.381 16 3HB ALA 1 2HB ALA 1 -4.076 18.461 12.801 17 H ARG 2 H ARG 2 -5.249 20.989 15.419 18 HA ARG 2 HA ARG 2 -4.596 20.282 18.167 19 1HB ARG 2 1HB ARG 2 -5.649 22.953 17.169 20 2HB ARG 2 2HB ARG 2 -4.786 22.609 18.664 21 1HG ARG 2 1HG ARG 2 -2.764 21.938 17.297 22 2HG ARG 2 2HG ARG 2 -3.653 22.401 15.839 23 1HD ARG 2 1HD ARG 2 -2.243 24.282 16.449 24 2HD ARG 2 2HD ARG 2 -3.925 24.713 16.722 25 HE ARG 2 HE ARG 2 -3.569 24.863 19.005 26 1HH1 ARG 2 2HH2 ARG 2 -0.685 23.334 17.511 27 2HH1 ARG 2 1HH2 ARG 2 0.226 23.482 19.000 28 1HH2 ARG 2 2HH1 ARG 2 -2.422 24.873 20.858 29 2HH2 ARG 2 1HH1 ARG 2 -0.715 24.506 20.910 30 H ILE 3 H ILE 3 -6.131 20.740 19.958 31 HA ILE 3 HA ILE 3 -7.935 20.009 20.993 32 HB ILE 3 HB ILE 3 -8.939 22.057 20.757 33 1HG1 ILE 3 1HG1 ILE 3 -10.956 19.924 19.936 34 2HG1 ILE 3 2HG1 ILE 3 -10.363 20.300 21.559 35 1HG2 ILE 3 2HG2 ILE 3 -8.609 22.605 18.389 36 2HG2 ILE 3 3HG2 ILE 3 -9.971 21.531 17.960 37 3HG2 ILE 3 1HG2 ILE 3 -10.216 22.957 18.964 38 1HD1 ILE 3 2HD1 ILE 3 -11.381 22.612 21.239 39 2HD1 ILE 3 3HD1 ILE 3 -12.115 21.994 19.739 40 3HD1 ILE 3 1HD1 ILE 3 -12.516 21.251 21.291 41 H ASP 4 H ASP 4 -9.463 19.672 17.746 42 HA ASP 4 HA ASP 4 -9.955 16.889 18.553 43 1HB ASP 4 1HB ASP 4 -11.799 16.876 17.002 44 2HB ASP 4 2HB ASP 4 -11.953 18.158 18.217 45 HA PRO 5 HA PRO 5 -7.042 15.812 15.351 46 1HB PRO 5 1HB PRO 5 -7.393 13.124 15.249 47 2HB PRO 5 2HB PRO 5 -6.623 13.936 16.633 48 1HG PRO 5 1HG PRO 5 -9.515 13.016 16.467 49 2HG PRO 5 2HG PRO 5 -8.342 12.783 17.782 50 1HD PRO 5 1HD PRO 5 -10.187 14.793 17.780 51 2HD PRO 5 2HD PRO 5 -8.551 15.019 18.475 52 H THR 6 H THR 6 -10.294 14.371 15.222 53 HA THR 6 HA THR 6 -11.588 13.571 13.589 54 HB THR 6 HB THR 6 -12.161 14.963 11.793 55 HG1 THR 6 1HG THR 6 -9.627 16.113 12.161 56 1HG2 THR 6 2HG2 THR 6 -12.778 15.734 14.081 57 2HG2 THR 6 3HG2 THR 6 -11.334 16.769 14.101 58 3HG2 THR 6 1HG2 THR 6 -12.614 17.060 12.919 59 H LYS 7 H LYS 7 -9.314 12.131 13.843 60 HA LYS 7 HA LYS 7 -7.952 11.740 11.352 61 1HB LYS 7 1HB LYS 7 -6.822 9.936 12.431 62 2HB LYS 7 2HB LYS 7 -6.849 11.333 13.484 63 1HG LYS 7 1HG LYS 7 -8.967 9.209 13.879 64 2HG LYS 7 2HG LYS 7 -7.300 8.847 14.330 65 1HD LYS 7 1HD LYS 7 -7.231 10.934 15.720 66 2HD LYS 7 2HD LYS 7 -8.974 11.128 15.441 67 1HE LYS 7 1HE LYS 7 -7.614 8.784 16.838 68 2HE LYS 7 2HE LYS 7 -8.459 10.122 17.619 69 1HZ LYS 7 2HZ LYS 7 -10.491 9.354 16.425 70 2HZ LYS 7 3HZ LYS 7 -9.644 8.061 15.884 71 3HZ LYS 7 1HZ LYS 7 -9.851 8.264 17.501 72 H LYS 8 H LYS 8 -10.702 11.472 10.719 73 HA LYS 8 HA LYS 8 -11.252 8.589 10.503 74 1HB LYS 8 1HB LYS 8 -13.314 9.250 9.368 75 2HB LYS 8 2HB LYS 8 -13.191 9.789 11.032 76 1HG LYS 8 1HG LYS 8 -12.396 11.716 8.837 77 2HG LYS 8 2HG LYS 8 -14.101 11.359 9.041 78 1HD LYS 8 1HD LYS 8 -12.411 12.152 11.416 79 2HD LYS 8 2HD LYS 8 -13.047 13.387 10.323 80 1HE LYS 8 1HE LYS 8 -14.871 11.301 11.624 81 2HE LYS 8 2HE LYS 8 -14.303 12.705 12.522 82 1HZ LYS 8 3HZ LYS 8 -15.271 14.124 10.791 83 2HZ LYS 8 1HZ LYS 8 -16.003 12.827 10.105 84 3HZ LYS 8 2HZ LYS 8 -16.330 13.230 11.666 85 H GLY 9 H GLY 9 -8.995 8.586 9.305 86 1HA GLY 9 1HA GLY 9 -8.769 7.927 6.810 87 2HA GLY 9 2HA GLY 9 -9.180 9.632 6.529 88 H ARG 10 H ARG 10 -6.656 7.500 7.275 89 HA ARG 10 HA ARG 10 -4.774 9.607 6.859 90 1HB ARG 10 1HB ARG 10 -3.312 9.024 8.720 91 2HB ARG 10 2HB ARG 10 -4.805 9.722 9.333 92 1HG ARG 10 1HG ARG 10 -4.455 6.715 9.125 93 2HG ARG 10 2HG ARG 10 -3.710 7.624 10.435 94 1HD ARG 10 1HD ARG 10 -5.698 8.000 11.527 95 2HD ARG 10 2HD ARG 10 -6.623 8.168 10.045 96 HE ARG 10 HE ARG 10 -7.333 6.040 10.301 97 1HH1 ARG 10 2HH2 ARG 10 -4.095 6.170 11.815 98 2HH1 ARG 10 1HH2 ARG 10 -3.882 4.422 11.647 99 1HH2 ARG 10 2HH1 ARG 10 -7.254 3.800 10.989 100 2HH2 ARG 10 1HH1 ARG 10 -5.670 3.102 11.292 101 H ARG 11 H ARG 11 -2.565 8.428 6.431 102 HA ARG 11 HA ARG 11 -2.977 6.177 4.830 103 1HB ARG 11 1HB ARG 11 -1.018 7.822 4.678 104 2HB ARG 11 2HB ARG 11 -0.357 7.004 6.084 105 1HG ARG 11 1HG ARG 11 0.769 6.131 4.271 106 2HG ARG 11 2HG ARG 11 -0.325 4.836 4.721 107 1HD ARG 11 1HD ARG 11 -1.653 6.517 2.814 108 2HD ARG 11 2HD ARG 11 -0.023 6.289 2.202 109 HE ARG 11 HE ARG 11 -2.154 4.526 1.910 110 1HH1 ARG 11 2HH2 ARG 11 1.236 4.054 3.001 111 2HH1 ARG 11 1HH2 ARG 11 1.408 2.605 2.092 112 1HH2 ARG 11 2HH1 ARG 11 -1.829 2.894 0.582 113 2HH2 ARG 11 1HH1 ARG 11 -0.339 1.981 0.543 114 H ASN 12 H ASN 12 -1.991 3.945 5.407 115 HA ASN 12 HA ASN 12 -1.699 2.154 6.754 116 1HB ASN 12 1HB ASN 12 -0.374 4.056 8.146 117 2HB ASN 12 2HB ASN 12 -1.629 3.721 9.328 118 1HD2 ASN 12 2HD2 ASN 12 -0.461 0.204 9.702 119 2HD2 ASN 12 1HD2 ASN 12 -1.970 1.017 9.323 120 H ARG 13 H ARG 13 -4.381 3.951 6.607 121 HA ARG 13 HA ARG 13 -5.933 2.926 8.779 122 1HB ARG 13 1HB ARG 13 -7.870 3.461 7.428 123 2HB ARG 13 2HB ARG 13 -6.742 4.809 7.628 124 1HG ARG 13 1HG ARG 13 -5.915 4.448 5.294 125 2HG ARG 13 2HG ARG 13 -7.083 3.130 5.091 126 1HD ARG 13 1HD ARG 13 -7.859 5.959 5.902 127 2HD ARG 13 2HD ARG 13 -7.813 5.457 4.236 128 HE ARG 13 HE ARG 13 -9.681 4.509 6.384 129 1HH1 ARG 13 2HH2 ARG 13 -8.719 4.179 2.953 130 2HH1 ARG 13 1HH2 ARG 13 -10.398 3.946 2.476 131 1HH2 ARG 13 2HH1 ARG 13 -11.702 3.628 5.699 132 2HH2 ARG 13 1HH1 ARG 13 -11.795 2.919 4.117 133 H PHE 14 H PHE 14 -5.274 1.742 5.528 134 HA PHE 14 HA PHE 14 -6.450 -0.915 6.073 135 1HB PHE 14 1HB PHE 14 -6.406 -0.152 3.775 136 2HB PHE 14 2HB PHE 14 -4.684 0.215 3.872 137 HD1 PHE 14 2HD PHE 14 -7.008 -2.753 4.355 138 HD2 PHE 14 1HD PHE 14 -3.080 -1.392 3.194 139 HE1 PHE 14 2HE PHE 14 -6.543 -4.955 3.327 140 HE2 PHE 14 1HE PHE 14 -2.602 -3.629 2.255 141 HZ PHE 14 HZ PHE 14 -4.344 -5.373 2.241 142 H LYS 15 H LYS 15 -5.248 -2.574 6.826 143 HA LYS 15 HA LYS 15 -2.323 -2.487 6.838 144 1HB LYS 15 1HB LYS 15 -2.260 -3.762 8.938 145 2HB LYS 15 2HB LYS 15 -2.876 -2.137 9.235 146 1HG LYS 15 1HG LYS 15 -5.072 -2.871 9.655 147 2HG LYS 15 2HG LYS 15 -4.895 -4.335 8.697 148 1HD LYS 15 1HD LYS 15 -3.210 -5.181 10.397 149 2HD LYS 15 2HD LYS 15 -3.745 -3.862 11.464 150 1HE LYS 15 1HE LYS 15 -6.084 -4.760 11.319 151 2HE LYS 15 2HE LYS 15 -5.542 -6.001 10.179 152 1HZ LYS 15 3HZ LYS 15 -4.013 -6.741 12.023 153 2HZ LYS 15 1HZ LYS 15 -4.949 -5.840 13.038 154 3HZ LYS 15 2HZ LYS 15 -5.616 -7.066 12.162 155 H TRP 16 H TRP 16 -1.772 -5.067 7.067 156 HA TRP 16 HA TRP 16 -3.809 -6.561 5.446 157 1HB TRP 16 1HB TRP 16 -0.961 -7.178 6.282 158 2HB TRP 16 2HB TRP 16 -2.044 -8.316 5.474 159 HD1 TRP 16 HD TRP 16 0.029 -5.221 4.756 160 HE1 TRP 16 1HE TRP 16 0.268 -4.953 2.231 161 HE3 TRP 16 3HE TRP 16 -3.559 -8.548 3.286 162 HZ2 TRP 16 2HZ TRP 16 -1.063 -5.988 -0.153 163 HZ3 TRP 16 3HZ TRP 16 -3.812 -9.109 0.893 164 HH2 TRP 16 HH TRP 16 -2.724 -7.700 -0.835 165 H GLY 17 H GLY 17 -2.050 -8.519 7.629 166 1HA GLY 17 1HA GLY 17 -3.378 -8.382 10.082 167 2HA GLY 17 2HA GLY 17 -4.417 -9.313 8.981 168 HA PRO 18 HA PRO 18 -1.172 -12.462 10.022 169 1HB PRO 18 1HB PRO 18 -2.529 -13.991 11.814 170 2HB PRO 18 2HB PRO 18 -1.527 -12.606 12.338 171 1HG PRO 18 1HG PRO 18 -4.526 -12.708 12.001 172 2HG PRO 18 2HG PRO 18 -3.586 -11.975 13.324 173 1HD PRO 18 1HD PRO 18 -4.608 -10.589 11.115 174 2HD PRO 18 2HD PRO 18 -3.214 -10.024 12.083 175 H ALA 19 H ALA 19 -1.759 -14.669 9.263 176 HA ALA 19 HA ALA 19 -2.676 -16.328 8.187 177 1HB ALA 19 1HB ALA 19 -4.644 -15.971 9.617 178 2HB ALA 19 2HB ALA 19 -5.329 -14.884 8.378 179 3HB ALA 19 3HB ALA 19 -5.026 -16.598 7.993 180 H SER 20 H SER 20 -4.085 -13.336 7.197 181 HA SER 20 HA SER 20 -3.964 -13.168 4.417 182 1HB SER 20 1HB SER 20 -4.627 -11.412 6.043 183 2HB SER 20 2HB SER 20 -2.962 -11.314 6.622 184 HG SER 20 HG SER 20 -3.797 -10.700 3.977 185 H GLN 21 H GLN 21 -1.296 -12.986 6.815 186 HA GLN 21 HA GLN 21 0.764 -12.411 5.007 187 1HB GLN 21 1HB GLN 21 0.773 -13.857 7.710 188 2HB GLN 21 2HB GLN 21 2.257 -13.634 6.776 189 1HG GLN 21 1HG GLN 21 0.522 -11.389 7.808 190 2HG GLN 21 2HG GLN 21 2.103 -11.884 8.416 191 1HE2 GLN 21 2HE2 GLN 21 1.820 -9.612 5.011 192 2HE2 GLN 21 1HE2 GLN 21 0.404 -10.200 5.854 193 H GLN 22 H GLN 22 -0.780 -15.538 5.388 194 HA GLN 22 HA GLN 22 1.686 -16.866 4.534 195 1HB GLN 22 1HB GLN 22 0.581 -18.923 4.772 196 2HB GLN 22 2HB GLN 22 -0.002 -17.914 6.098 197 1HG GLN 22 1HG GLN 22 -2.021 -17.452 4.428 198 2HG GLN 22 2HG GLN 22 -1.439 -18.900 3.616 199 1HE2 GLN 22 2HE2 GLN 22 -2.496 -21.102 6.232 200 2HE2 GLN 22 1HE2 GLN 22 -1.436 -20.938 4.847 201 H ILE 23 H ILE 23 -1.380 -15.855 2.995 202 HA ILE 23 HA ILE 23 -0.756 -16.854 0.392 203 HB ILE 23 HB ILE 23 -2.269 -14.372 1.312 204 1HG1 ILE 23 1HG1 ILE 23 -4.227 -15.591 0.504 205 2HG1 ILE 23 2HG1 ILE 23 -3.220 -16.978 0.038 206 1HG2 ILE 23 1HG2 ILE 23 -1.920 -15.511 -1.490 207 2HG2 ILE 23 2HG2 ILE 23 -3.118 -14.278 -1.033 208 3HG2 ILE 23 3HG2 ILE 23 -1.398 -13.909 -0.925 209 1HD1 ILE 23 1HD1 ILE 23 -3.477 -15.974 2.875 210 2HD1 ILE 23 2HD1 ILE 23 -4.563 -17.186 2.140 211 3HD1 ILE 23 3HD1 ILE 23 -2.833 -17.545 2.274 212 H LEU 24 H LEU 24 0.077 -13.850 2.098 213 HA LEU 24 HA LEU 24 1.461 -12.697 -0.090 214 1HB LEU 24 1HB LEU 24 1.516 -12.194 2.906 215 2HB LEU 24 2HB LEU 24 2.455 -11.202 1.787 216 HG LEU 24 HG LEU 24 -0.536 -11.652 1.427 217 1HD1 LEU 24 3HD1 LEU 24 0.859 -9.367 2.876 218 2HD1 LEU 24 1HD1 LEU 24 -0.833 -9.410 2.360 219 3HD1 LEU 24 2HD1 LEU 24 -0.278 -10.561 3.580 220 1HD2 LEU 24 1HD2 LEU 24 1.004 -10.654 -0.489 221 2HD2 LEU 24 2HD2 LEU 24 -0.517 -9.849 -0.074 222 3HD2 LEU 24 3HD2 LEU 24 1.010 -9.230 0.553 223 H PHE 25 H PHE 25 2.774 -14.664 2.651 224 HA PHE 25 HA PHE 25 5.468 -14.437 1.632 225 1HB PHE 25 1HB PHE 25 5.882 -16.645 2.835 226 2HB PHE 25 2HB PHE 25 5.647 -15.181 3.721 227 HD1 PHE 25 1HD PHE 25 4.121 -18.421 2.789 228 HD2 PHE 25 2HD PHE 25 4.237 -15.136 5.585 229 HE1 PHE 25 1HE PHE 25 3.313 -19.912 4.570 230 HE2 PHE 25 2HE PHE 25 3.472 -16.658 7.392 231 HZ PHE 25 HZ PHE 25 3.030 -19.059 6.889 232 H GLN 26 H GLN 26 2.886 -16.846 1.208 233 HA GLN 26 HA GLN 26 4.631 -18.605 0.089 234 1HB GLN 26 1HB GLN 26 2.786 -20.057 -0.259 235 2HB GLN 26 2HB GLN 26 2.207 -18.977 0.999 236 1HG GLN 26 1HG GLN 26 1.070 -17.679 -0.824 237 2HG GLN 26 2HG GLN 26 1.546 -18.979 -1.941 238 1HE2 GLN 26 2HE2 GLN 26 -1.906 -19.855 -0.886 239 2HE2 GLN 26 1HE2 GLN 26 -1.212 -18.629 -1.814 240 H ALA 27 H ALA 27 2.542 -16.173 -1.462 241 HA ALA 27 HA ALA 27 3.302 -16.715 -4.162 242 1HB ALA 27 2HB ALA 27 1.341 -15.371 -3.565 243 2HB ALA 27 3HB ALA 27 2.402 -14.110 -2.887 244 3HB ALA 27 1HB ALA 27 2.476 -14.505 -4.629 245 H TYR 28 H TYR 28 4.579 -14.296 -1.751 246 HA TYR 28 HA TYR 28 6.551 -13.129 -3.345 247 1HB TYR 28 1HB TYR 28 5.885 -12.519 -0.985 248 2HB TYR 28 2HB TYR 28 6.818 -13.878 -0.395 249 HD1 TYR 28 1HD TYR 28 9.376 -13.879 -0.775 250 HD2 TYR 28 2HD TYR 28 6.873 -10.397 -1.233 251 HE1 TYR 28 1HE TYR 28 11.357 -12.422 -0.551 252 HE2 TYR 28 2HE TYR 28 8.848 -8.948 -0.962 253 HH TYR 28 HH TYR 28 12.160 -10.184 -0.483 254 H GLU 29 H GLU 29 6.710 -16.223 -1.513 255 HA GLU 29 HA GLU 29 9.442 -16.437 -2.096 256 1HB GLU 29 1HB GLU 29 8.386 -17.628 -0.173 257 2HB GLU 29 2HB GLU 29 7.697 -18.786 -1.344 258 1HG GLU 29 1HG GLU 29 9.799 -19.651 -0.563 259 2HG GLU 29 2HG GLU 29 10.040 -19.180 -2.212 260 H ARG 30 H ARG 30 6.473 -17.648 -3.656 261 HA ARG 30 HA ARG 30 7.874 -19.461 -5.268 262 1HB ARG 30 1HB ARG 30 5.413 -19.576 -4.839 263 2HB ARG 30 2HB ARG 30 5.186 -18.065 -5.721 264 1HG ARG 30 1HG ARG 30 6.212 -19.372 -7.781 265 2HG ARG 30 2HG ARG 30 5.928 -20.806 -6.798 266 1HD ARG 30 1HD ARG 30 4.097 -20.477 -8.302 267 2HD ARG 30 2HD ARG 30 3.489 -20.150 -6.666 268 HE ARG 30 HE ARG 30 4.225 -17.654 -7.514 269 1HH1 ARG 30 2HH2 ARG 30 2.270 -20.137 -9.178 270 2HH1 ARG 30 1HH2 ARG 30 1.421 -18.923 -10.117 271 1HH2 ARG 30 2HH1 ARG 30 2.938 -16.122 -8.722 272 2HH2 ARG 30 1HH1 ARG 30 1.861 -16.731 -9.919 273 H GLN 31 H GLN 31 6.751 -16.051 -5.821 274 HA GLN 31 HA GLN 31 9.076 -15.675 -7.485 275 1HB GLN 31 1HB GLN 31 8.012 -14.648 -9.400 276 2HB GLN 31 2HB GLN 31 7.466 -16.309 -9.201 277 1HG GLN 31 1HG GLN 31 5.485 -15.014 -7.823 278 2HG GLN 31 2HG GLN 31 5.988 -13.717 -8.907 279 1HE2 GLN 31 2HE2 GLN 31 3.589 -15.139 -11.179 280 2HE2 GLN 31 1HE2 GLN 31 4.184 -13.716 -10.312 281 H LYS 32 H LYS 32 9.786 -13.546 -7.372 282 HA LYS 32 HA LYS 32 8.437 -11.966 -5.203 283 1HB LYS 32 1HB LYS 32 10.705 -11.427 -4.361 284 2HB LYS 32 2HB LYS 32 10.210 -13.082 -4.195 285 1HG LYS 32 1HG LYS 32 11.626 -13.309 -6.539 286 2HG LYS 32 2HG LYS 32 12.415 -11.942 -5.779 287 1HD LYS 32 1HD LYS 32 13.636 -13.768 -5.043 288 2HD LYS 32 2HD LYS 32 12.624 -13.439 -3.643 289 1HE LYS 32 1HE LYS 32 11.726 -15.485 -5.740 290 2HE LYS 32 2HE LYS 32 13.026 -15.916 -4.632 291 1HZ LYS 32 2HZ LYS 32 10.347 -15.119 -3.658 292 2HZ LYS 32 3HZ LYS 32 10.860 -16.627 -3.943 293 3HZ LYS 32 1HZ LYS 32 11.588 -15.856 -2.802 294 H ASN 33 H ASN 33 8.177 -11.603 -8.149 295 HA ASN 33 HA ASN 33 8.768 -8.713 -8.100 296 1HB ASN 33 1HB ASN 33 9.312 -10.603 -10.424 297 2HB ASN 33 2HB ASN 33 8.979 -8.888 -10.629 298 1HD2 ASN 33 2HD2 ASN 33 12.721 -10.002 -9.641 299 2HD2 ASN 33 1HD2 ASN 33 11.464 -11.146 -10.066 300 HA PRO 34 HA PRO 34 4.429 -9.532 -8.272 301 1HB PRO 34 1HB PRO 34 3.367 -7.031 -8.387 302 2HB PRO 34 2HB PRO 34 4.197 -7.704 -6.962 303 1HG PRO 34 1HG PRO 34 5.413 -5.916 -9.084 304 2HG PRO 34 2HG PRO 34 5.473 -5.694 -7.311 305 1HD PRO 34 1HD PRO 34 7.503 -6.878 -8.656 306 2HD PRO 34 2HD PRO 34 6.992 -7.522 -7.063 307 H SER 35 H SER 35 4.062 -10.664 -10.151 308 HA SER 35 HA SER 35 4.263 -9.386 -12.744 309 1HB SER 35 1HB SER 35 3.429 -12.199 -11.913 310 2HB SER 35 2HB SER 35 3.867 -11.658 -13.554 311 HG SER 35 HG SER 35 5.494 -11.615 -11.204 312 H LYS 36 H LYS 36 1.543 -11.577 -12.433 313 HA LYS 36 HA LYS 36 -0.431 -9.413 -12.298 314 1HB LYS 36 1HB LYS 36 0.217 -9.381 -14.708 315 2HB LYS 36 2HB LYS 36 -0.056 -11.113 -14.809 316 1HG LYS 36 1HG LYS 36 -2.087 -10.497 -15.594 317 2HG LYS 36 2HG LYS 36 -2.525 -10.382 -13.896 318 1HD LYS 36 1HD LYS 36 -1.732 -7.861 -14.118 319 2HD LYS 36 2HD LYS 36 -1.797 -8.177 -15.854 320 1HE LYS 36 1HE LYS 36 -3.989 -7.429 -15.527 321 2HE LYS 36 2HE LYS 36 -4.217 -9.162 -15.291 322 1HZ LYS 36 3HZ LYS 36 -3.880 -8.671 -12.843 323 2HZ LYS 36 1HZ LYS 36 -4.082 -7.072 -13.200 324 3HZ LYS 36 2HZ LYS 36 -5.247 -8.195 -13.449 325 H GLU 37 H GLU 37 -0.345 -12.677 -13.622 326 HA GLU 37 HA GLU 37 -2.525 -13.954 -12.642 327 1HB GLU 37 1HB GLU 37 -0.999 -15.045 -14.081 328 2HB GLU 37 2HB GLU 37 0.398 -14.648 -13.147 329 1HG GLU 37 1HG GLU 37 -1.551 -16.505 -11.823 330 2HG GLU 37 2HG GLU 37 -0.725 -17.089 -13.263 331 H GLU 38 H GLU 38 0.537 -14.210 -10.970 332 HA GLU 38 HA GLU 38 0.231 -14.817 -8.455 333 1HB GLU 38 1HB GLU 38 2.178 -13.913 -9.662 334 2HB GLU 38 2HB GLU 38 1.541 -12.276 -9.581 335 1HG GLU 38 1HG GLU 38 1.881 -12.339 -7.097 336 2HG GLU 38 2HG GLU 38 2.667 -13.919 -7.284 337 H ARG 39 H ARG 39 -0.456 -11.449 -9.493 338 HA ARG 39 HA ARG 39 -1.256 -10.781 -6.820 339 1HB ARG 39 1HB ARG 39 -0.164 -9.056 -8.034 340 2HB ARG 39 2HB ARG 39 -1.145 -9.307 -9.485 341 1HG ARG 39 1HG ARG 39 -2.998 -8.188 -8.647 342 2HG ARG 39 2HG ARG 39 -2.465 -8.311 -6.971 343 1HD ARG 39 1HD ARG 39 -2.152 -5.982 -7.859 344 2HD ARG 39 2HD ARG 39 -0.647 -6.725 -7.349 345 HE ARG 39 HE ARG 39 0.122 -6.829 -9.533 346 1HH1 ARG 39 2HH2 ARG 39 -3.145 -5.217 -9.573 347 2HH1 ARG 39 1HH2 ARG 39 -3.222 -5.336 -11.283 348 1HH2 ARG 39 2HH1 ARG 39 0.221 -6.192 -11.609 349 2HH2 ARG 39 1HH1 ARG 39 -1.075 -5.274 -12.336 350 H GLU 40 H GLU 40 -3.025 -11.389 -9.837 351 HA GLU 40 HA GLU 40 -5.619 -10.826 -8.889 352 1HB GLU 40 1HB GLU 40 -4.387 -12.214 -11.108 353 2HB GLU 40 2HB GLU 40 -5.790 -13.107 -10.534 354 1HG GLU 40 1HG GLU 40 -6.622 -11.647 -12.185 355 2HG GLU 40 2HG GLU 40 -7.136 -10.948 -10.649 356 H THR 41 H THR 41 -3.787 -13.894 -8.858 357 HA THR 41 HA THR 41 -5.441 -15.486 -7.315 358 HB THR 41 HB THR 41 -2.544 -15.370 -7.986 359 HG1 THR 41 1HG THR 41 -4.398 -17.485 -7.886 360 1HG2 THR 41 3HG2 THR 41 -3.454 -16.936 -5.553 361 2HG2 THR 41 1HG2 THR 41 -1.995 -17.298 -6.501 362 3HG2 THR 41 2HG2 THR 41 -2.133 -15.760 -5.667 363 H LEU 42 H LEU 42 -2.808 -13.301 -6.123 364 HA LEU 42 HA LEU 42 -3.028 -14.027 -3.443 365 1HB LEU 42 1HB LEU 42 -2.050 -11.568 -4.908 366 2HB LEU 42 2HB LEU 42 -2.362 -11.451 -3.208 367 HG LEU 42 HG LEU 42 -0.816 -13.746 -3.232 368 1HD1 LEU 42 2HD1 LEU 42 0.073 -11.934 -5.487 369 2HD1 LEU 42 3HD1 LEU 42 1.264 -12.706 -4.479 370 3HD1 LEU 42 1HD1 LEU 42 0.116 -13.715 -5.357 371 1HD2 LEU 42 3HD2 LEU 42 -0.711 -11.848 -1.661 372 2HD2 LEU 42 1HD2 LEU 42 0.892 -12.303 -2.263 373 3HD2 LEU 42 2HD2 LEU 42 0.085 -10.864 -2.906 374 H VAL 43 H VAL 43 -4.826 -11.517 -5.292 375 HA VAL 43 HA VAL 43 -6.176 -10.500 -2.993 376 HB VAL 43 HB VAL 43 -7.154 -10.591 -5.892 377 1HG1 VAL 43 1HG1 VAL 43 -8.021 -9.098 -3.355 378 2HG1 VAL 43 2HG1 VAL 43 -8.593 -8.680 -4.984 379 3HG1 VAL 43 3HG1 VAL 43 -9.011 -10.247 -4.273 380 1HG2 VAL 43 3HG2 VAL 43 -5.033 -9.303 -5.568 381 2HG2 VAL 43 1HG2 VAL 43 -6.441 -8.310 -5.956 382 3HG2 VAL 43 2HG2 VAL 43 -5.819 -8.375 -4.279 383 H GLU 44 H GLU 44 -7.136 -13.027 -5.345 384 HA GLU 44 HA GLU 44 -9.667 -13.683 -4.394 385 1HB GLU 44 1HB GLU 44 -7.644 -14.668 -6.188 386 2HB GLU 44 2HB GLU 44 -8.148 -16.036 -5.244 387 1HG GLU 44 1HG GLU 44 -9.924 -14.135 -6.802 388 2HG GLU 44 2HG GLU 44 -9.294 -15.710 -7.375 389 H GLU 45 H GLU 45 -6.572 -15.199 -3.708 390 HA GLU 45 HA GLU 45 -7.559 -17.088 -1.918 391 1HB GLU 45 1HB GLU 45 -5.138 -16.604 -3.278 392 2HB GLU 45 2HB GLU 45 -4.680 -16.285 -1.620 393 1HG GLU 45 1HG GLU 45 -5.676 -18.556 -1.067 394 2HG GLU 45 2HG GLU 45 -5.848 -18.827 -2.817 395 H CYS 46 H CYS 46 -5.942 -13.968 -1.433 396 HA CYS 46 HA CYS 46 -5.820 -13.999 1.384 397 1HB CYS 46 1HB CYS 46 -4.878 -12.062 -0.171 398 2HB CYS 46 2HB CYS 46 -6.513 -11.463 -0.224 399 HG CYS 46 HG CYS 46 -6.942 -11.300 2.315 400 H ASN 47 H ASN 47 -8.334 -12.907 -0.898 401 HA ASN 47 HA ASN 47 -10.189 -11.706 0.872 402 1HB ASN 47 1HB ASN 47 -10.304 -12.801 -1.932 403 2HB ASN 47 2HB ASN 47 -11.817 -12.761 -1.071 404 1HD2 ASN 47 2HD2 ASN 47 -9.920 -9.135 -1.743 405 2HD2 ASN 47 1HD2 ASN 47 -8.988 -10.642 -1.639 406 H ARG 48 H ARG 48 -9.986 -15.041 -0.390 407 HA ARG 48 HA ARG 48 -12.029 -16.273 1.056 408 1HB ARG 48 1HB ARG 48 -9.881 -17.138 -0.510 409 2HB ARG 48 2HB ARG 48 -9.418 -17.746 1.057 410 1HG ARG 48 1HG ARG 48 -10.651 -19.544 0.396 411 2HG ARG 48 2HG ARG 48 -11.948 -18.611 1.146 412 1HD ARG 48 1HD ARG 48 -12.705 -19.329 -1.064 413 2HD ARG 48 2HD ARG 48 -12.399 -17.573 -1.118 414 HE ARG 48 HE ARG 48 -10.150 -19.333 -1.870 415 1HH1 ARG 48 2HH2 ARG 48 -12.807 -17.284 -3.062 416 2HH1 ARG 48 1HH2 ARG 48 -12.047 -17.051 -4.597 417 1HH2 ARG 48 2HH1 ARG 48 -9.244 -19.077 -4.011 418 2HH2 ARG 48 1HH1 ARG 48 -10.195 -18.173 -5.177 419 H ALA 49 H ALA 49 -8.646 -15.736 2.028 420 HA ALA 49 HA ALA 49 -8.873 -16.901 4.591 421 1HB ALA 49 3HB ALA 49 -6.788 -16.610 3.327 422 2HB ALA 49 1HB ALA 49 -6.847 -14.863 3.616 423 3HB ALA 49 2HB ALA 49 -6.670 -15.985 4.986 424 H GLU 50 H GLU 50 -9.170 -13.387 3.714 425 HA GLU 50 HA GLU 50 -9.471 -12.835 6.559 426 1HB GLU 50 1HB GLU 50 -9.768 -10.567 6.001 427 2HB GLU 50 2HB GLU 50 -8.278 -11.272 5.350 428 1HG GLU 50 1HG GLU 50 -9.181 -11.283 3.098 429 2HG GLU 50 2HG GLU 50 -10.764 -10.770 3.676 430 H CYS 51 H CYS 51 -11.651 -13.495 3.859 431 HA CYS 51 HA CYS 51 -14.066 -12.854 5.198 432 1HB CYS 51 1HB CYS 51 -15.087 -13.763 3.493 433 2HB CYS 51 2HB CYS 51 -13.525 -14.159 2.812 434 HG CYS 51 HG CYS 51 -13.369 -16.523 3.848 435 H ILE 52 H ILE 52 -11.905 -15.732 5.497 436 HA ILE 52 HA ILE 52 -13.640 -17.087 7.358 437 HB ILE 52 HB ILE 52 -10.701 -17.375 6.633 438 1HG1 ILE 52 1HG1 ILE 52 -13.086 -19.223 6.229 439 2HG1 ILE 52 2HG1 ILE 52 -12.545 -18.051 5.030 440 1HG2 ILE 52 2HG2 ILE 52 -12.259 -19.048 8.628 441 2HG2 ILE 52 3HG2 ILE 52 -10.641 -19.423 7.991 442 3HG2 ILE 52 1HG2 ILE 52 -10.867 -17.999 8.989 443 1HD1 ILE 52 3HD1 ILE 52 -10.308 -19.138 4.956 444 2HD1 ILE 52 1HD1 ILE 52 -10.923 -20.418 6.030 445 3HD1 ILE 52 2HD1 ILE 52 -11.641 -20.182 4.433 446 H GLN 53 H GLN 53 -10.837 -14.901 7.684 447 HA GLN 53 HA GLN 53 -10.707 -14.921 10.504 448 1HB GLN 53 1HB GLN 53 -10.151 -12.540 8.685 449 2HB GLN 53 2HB GLN 53 -9.753 -12.646 10.396 450 1HG GLN 53 1HG GLN 53 -8.401 -14.725 9.915 451 2HG GLN 53 2HG GLN 53 -8.615 -14.407 8.196 452 1HE2 GLN 53 2HE2 GLN 53 -5.663 -12.573 10.011 453 2HE2 GLN 53 1HE2 GLN 53 -6.532 -13.914 10.751 454 H ARG 54 H ARG 54 -12.817 -12.858 8.436 455 HA ARG 54 HA ARG 54 -14.062 -11.754 10.872 456 1HB ARG 54 1HB ARG 54 -14.024 -11.017 7.979 457 2HB ARG 54 2HB ARG 54 -15.418 -10.512 8.929 458 1HG ARG 54 1HG ARG 54 -12.715 -9.999 10.151 459 2HG ARG 54 2HG ARG 54 -13.177 -9.037 8.750 460 1HD ARG 54 1HD ARG 54 -13.811 -7.955 10.907 461 2HD ARG 54 2HD ARG 54 -15.148 -8.200 9.774 462 HE ARG 54 HE ARG 54 -14.743 -10.247 11.919 463 1HH1 ARG 54 2HH2 ARG 54 -16.495 -7.265 11.094 464 2HH1 ARG 54 1HH2 ARG 54 -17.939 -7.737 11.922 465 1HH2 ARG 54 2HH1 ARG 54 -16.420 -10.757 13.151 466 2HH2 ARG 54 1HH1 ARG 54 -17.930 -9.876 13.148 467 H GLY 55 H GLY 55 -14.546 -14.543 9.100 468 1HA GLY 55 1HA GLY 55 -16.255 -15.997 8.884 469 2HA GLY 55 2HA GLY 55 -17.059 -15.203 10.252 470 H VAL 56 H VAL 56 -16.131 -13.862 7.061 471 HA VAL 56 HA VAL 56 -18.930 -12.983 6.593 472 HB VAL 56 HB VAL 56 -16.428 -12.603 4.899 473 1HG1 VAL 56 1HG1 VAL 56 -19.264 -11.488 4.586 474 2HG1 VAL 56 2HG1 VAL 56 -17.845 -10.902 3.704 475 3HG1 VAL 56 3HG1 VAL 56 -18.406 -12.542 3.438 476 1HG2 VAL 56 2HG2 VAL 56 -17.992 -10.727 6.700 477 2HG2 VAL 56 3HG2 VAL 56 -16.278 -11.227 6.854 478 3HG2 VAL 56 1HG2 VAL 56 -16.800 -10.194 5.514 479 H SER 57 H SER 57 -19.962 -13.688 4.674 480 HA SER 57 HA SER 57 -20.126 -16.443 4.107 481 1HB SER 57 1HB SER 57 -21.123 -13.905 3.185 482 2HB SER 57 2HB SER 57 -20.789 -14.948 1.791 483 HG SER 57 HG SER 57 -22.377 -15.746 3.992 484 HA PRO 58 HA PRO 58 -16.235 -16.740 1.735 485 1HB PRO 58 1HB PRO 58 -16.737 -18.984 0.199 486 2HB PRO 58 2HB PRO 58 -16.251 -19.018 1.916 487 1HG PRO 58 1HG PRO 58 -19.045 -19.242 0.781 488 2HG PRO 58 2HG PRO 58 -18.295 -20.226 2.066 489 1HD PRO 58 1HD PRO 58 -19.954 -18.156 2.637 490 2HD PRO 58 2HD PRO 58 -18.522 -18.470 3.661 491 H SER 59 H SER 59 -19.265 -17.300 -0.072 492 HA SER 59 HA SER 59 -18.228 -16.175 -2.535 493 1HB SER 59 1HB SER 59 -20.815 -16.434 -3.023 494 2HB SER 59 2HB SER 59 -19.811 -17.874 -2.797 495 HG SER 59 HG SER 59 -21.729 -17.944 -1.507 496 H GLN 60 H GLN 60 -18.619 -14.492 0.198 497 HA GLN 60 HA GLN 60 -19.445 -12.092 -1.256 498 1HB GLN 60 1HB GLN 60 -20.682 -12.705 1.447 499 2HB GLN 60 2HB GLN 60 -21.042 -11.372 0.381 500 1HG GLN 60 1HG GLN 60 -22.042 -12.970 -1.274 501 2HG GLN 60 2HG GLN 60 -21.776 -14.306 -0.156 502 1HE2 GLN 60 2HE2 GLN 60 -24.569 -13.428 1.899 503 2HE2 GLN 60 1HE2 GLN 60 -23.142 -14.465 1.796 504 H ALA 61 H ALA 61 -16.904 -13.232 -0.266 505 HA ALA 61 HA ALA 61 -16.055 -12.068 2.173 506 1HB ALA 61 1HB ALA 61 -14.698 -13.649 0.798 507 2HB ALA 61 2HB ALA 61 -14.438 -12.366 -0.397 508 3HB ALA 61 3HB ALA 61 -13.796 -12.189 1.244 509 H GLN 62 H GLN 62 -16.688 -10.628 -0.896 510 HA GLN 62 HA GLN 62 -15.742 -8.082 -0.941 511 1HB GLN 62 1HB GLN 62 -18.497 -9.114 -1.455 512 2HB GLN 62 2HB GLN 62 -18.034 -7.457 -1.814 513 1HG GLN 62 1HG GLN 62 -17.910 -8.759 -3.840 514 2HG GLN 62 2HG GLN 62 -16.300 -8.209 -3.364 515 1HE2 GLN 62 2HE2 GLN 62 -15.131 -11.497 -3.834 516 2HE2 GLN 62 1HE2 GLN 62 -15.061 -9.811 -4.331 517 H GLY 63 H GLY 63 -18.238 -9.291 1.279 518 1HA GLY 63 1HA GLY 63 -19.046 -6.696 2.254 519 2HA GLY 63 2HA GLY 63 -19.569 -8.280 2.835 520 H LEU 64 H LEU 64 -16.188 -7.298 2.636 521 HA LEU 64 HA LEU 64 -16.184 -6.247 5.368 522 1HB LEU 64 1HB LEU 64 -14.122 -7.317 5.999 523 2HB LEU 64 2HB LEU 64 -15.397 -8.459 5.713 524 HG LEU 64 HG LEU 64 -14.161 -8.272 3.249 525 1HD1 LEU 64 2HD1 LEU 64 -12.193 -7.162 4.252 526 2HD1 LEU 64 3HD1 LEU 64 -11.982 -8.537 5.360 527 3HD1 LEU 64 1HD1 LEU 64 -11.831 -8.747 3.603 528 1HD2 LEU 64 1HD2 LEU 64 -15.033 -10.317 4.189 529 2HD2 LEU 64 2HD2 LEU 64 -13.369 -10.539 3.644 530 3HD2 LEU 64 3HD2 LEU 64 -13.709 -10.356 5.384 531 H GLY 65 H GLY 65 -16.420 -5.056 2.855 532 1HA GLY 65 1HA GLY 65 -14.608 -3.705 1.568 533 2HA GLY 65 2HA GLY 65 -15.964 -2.869 2.324 534 H SER 66 H SER 66 -15.071 -2.865 5.115 535 HA SER 66 HA SER 66 -13.446 -0.671 5.390 536 1HB SER 66 1HB SER 66 -14.291 -3.093 7.004 537 2HB SER 66 2HB SER 66 -12.818 -2.376 7.470 538 HG SER 66 HG SER 66 -15.255 -0.956 7.249 539 H ASN 67 H ASN 67 -12.589 -4.052 5.336 540 HA ASN 67 HA ASN 67 -9.699 -3.572 5.670 541 1HB ASN 67 1HB ASN 67 -11.647 -5.905 5.905 542 2HB ASN 67 2HB ASN 67 -9.924 -6.193 5.833 543 1HD2 ASN 67 2HD2 ASN 67 -9.541 -5.421 9.287 544 2HD2 ASN 67 1HD2 ASN 67 -8.937 -6.214 7.821 545 H LEU 68 H LEU 68 -12.056 -5.225 3.640 546 HA LEU 68 HA LEU 68 -10.984 -6.919 2.298 547 1HB LEU 68 1HB LEU 68 -13.164 -5.917 1.737 548 2HB LEU 68 2HB LEU 68 -12.356 -4.857 0.579 549 HG LEU 68 HG LEU 68 -11.382 -7.453 -0.065 550 1HD1 LEU 68 2HD1 LEU 68 -14.270 -7.582 0.813 551 2HD1 LEU 68 3HD1 LEU 68 -13.541 -8.737 -0.308 552 3HD1 LEU 68 1HD1 LEU 68 -12.901 -8.596 1.334 553 1HD2 LEU 68 2HD2 LEU 68 -12.024 -5.690 -1.658 554 2HD2 LEU 68 3HD2 LEU 68 -12.713 -7.268 -2.060 555 3HD2 LEU 68 1HD2 LEU 68 -13.739 -6.019 -1.305 556 H VAL 69 H VAL 69 -9.321 -7.506 1.359 557 HA VAL 69 HA VAL 69 -7.337 -5.842 0.196 558 HB VAL 69 HB VAL 69 -7.769 -8.839 0.340 559 1HG1 VAL 69 1HG1 VAL 69 -6.488 -8.382 -1.752 560 2HG1 VAL 69 2HG1 VAL 69 -5.335 -7.409 -0.823 561 3HG1 VAL 69 3HG1 VAL 69 -5.506 -9.155 -0.528 562 1HG2 VAL 69 1HG2 VAL 69 -7.175 -7.504 2.423 563 2HG2 VAL 69 2HG2 VAL 69 -5.908 -8.629 1.968 564 3HG2 VAL 69 3HG2 VAL 69 -5.740 -6.921 1.575 565 H THR 70 H THR 70 -6.807 -5.545 -1.881 566 HA THR 70 HA THR 70 -8.494 -6.394 -4.088 567 HB THR 70 HB THR 70 -8.623 -3.964 -4.838 568 HG1 THR 70 1HG THR 70 -8.078 -3.450 -2.096 569 1HG2 THR 70 3HG2 THR 70 -10.555 -5.121 -3.702 570 2HG2 THR 70 1HG2 THR 70 -9.987 -4.483 -2.145 571 3HG2 THR 70 2HG2 THR 70 -10.513 -3.363 -3.410 572 H GLU 71 H GLU 71 -7.277 -5.855 -6.155 573 HA GLU 71 HA GLU 71 -4.688 -6.843 -5.929 574 1HB GLU 71 1HB GLU 71 -4.363 -6.355 -8.272 575 2HB GLU 71 2HB GLU 71 -5.841 -7.212 -7.882 576 1HG GLU 71 1HG GLU 71 -6.369 -5.656 -9.526 577 2HG GLU 71 2HG GLU 71 -7.103 -5.070 -8.024 578 H VAL 72 H VAL 72 -5.586 -3.439 -6.200 579 HA VAL 72 HA VAL 72 -3.068 -2.323 -6.349 580 HB VAL 72 HB VAL 72 -5.097 -1.038 -6.564 581 1HG1 VAL 72 3HG1 VAL 72 -5.516 -1.459 -3.564 582 2HG1 VAL 72 1HG1 VAL 72 -6.393 -0.316 -4.577 583 3HG1 VAL 72 2HG1 VAL 72 -6.554 -2.048 -4.885 584 1HG2 VAL 72 1HG2 VAL 72 -2.994 0.112 -5.876 585 2HG2 VAL 72 2HG2 VAL 72 -4.476 0.949 -5.373 586 3HG2 VAL 72 3HG2 VAL 72 -3.530 0.041 -4.184 587 H ARG 73 H ARG 73 -4.544 -3.826 -3.480 588 HA ARG 73 HA ARG 73 -2.682 -2.693 -1.562 589 1HB ARG 73 1HB ARG 73 -3.973 -5.436 -1.401 590 2HB ARG 73 2HB ARG 73 -3.370 -4.435 -0.086 591 1HG ARG 73 1HG ARG 73 -5.806 -3.854 -1.836 592 2HG ARG 73 2HG ARG 73 -5.743 -4.585 -0.227 593 1HD ARG 73 1HD ARG 73 -4.519 -2.260 0.339 594 2HD ARG 73 2HD ARG 73 -5.465 -1.736 -1.060 595 HE ARG 73 HE ARG 73 -6.845 -3.385 0.995 596 1HH1 ARG 73 2HH2 ARG 73 -6.424 -0.040 -0.196 597 2HH1 ARG 73 1HH2 ARG 73 -7.396 0.595 1.123 598 1HH2 ARG 73 2HH1 ARG 73 -8.394 -2.530 2.389 599 2HH2 ARG 73 1HH1 ARG 73 -8.538 -0.789 2.522 600 H VAL 74 H VAL 74 -2.897 -5.749 -3.425 601 HA VAL 74 HA VAL 74 -0.563 -6.945 -2.422 602 HB VAL 74 HB VAL 74 -1.951 -7.246 -5.112 603 1HG1 VAL 74 1HG1 VAL 74 0.296 -8.817 -3.831 604 2HG1 VAL 74 2HG1 VAL 74 -0.774 -9.530 -5.049 605 3HG1 VAL 74 3HG1 VAL 74 0.214 -8.131 -5.470 606 1HG2 VAL 74 3HG2 VAL 74 -3.368 -7.844 -3.149 607 2HG2 VAL 74 1HG2 VAL 74 -2.965 -9.232 -4.159 608 3HG2 VAL 74 2HG2 VAL 74 -2.104 -8.990 -2.630 609 H TYR 75 H TYR 75 -1.192 -4.964 -5.336 610 HA TYR 75 HA TYR 75 1.321 -4.688 -6.489 611 1HB TYR 75 1HB TYR 75 -0.983 -3.740 -7.200 612 2HB TYR 75 2HB TYR 75 -0.677 -2.409 -6.109 613 HD1 TYR 75 1HD TYR 75 1.633 -1.112 -6.453 614 HD2 TYR 75 2HD TYR 75 -0.525 -3.339 -9.460 615 HE1 TYR 75 1HE TYR 75 2.693 0.234 -8.228 616 HE2 TYR 75 2HE TYR 75 0.638 -2.057 -11.229 617 HH TYR 75 HH TYR 75 2.009 -0.078 -11.647 618 H ASN 76 H ASN 76 -0.127 -2.590 -3.945 619 HA ASN 76 HA ASN 76 2.292 -1.136 -3.659 620 1HB ASN 76 1HB ASN 76 1.294 0.279 -2.221 621 2HB ASN 76 2HB ASN 76 -0.032 -0.279 -3.240 622 1HD2 ASN 76 2HD2 ASN 76 -1.814 -0.342 -0.217 623 2HD2 ASN 76 1HD2 ASN 76 -1.397 0.640 -1.628 624 H TRP 77 H TRP 77 1.153 -4.004 -1.863 625 HA TRP 77 HA TRP 77 3.102 -3.730 0.240 626 1HB TRP 77 1HB TRP 77 2.091 -5.470 1.112 627 2HB TRP 77 2HB TRP 77 1.021 -5.502 -0.271 628 HD1 TRP 77 HD TRP 77 1.452 -7.388 -2.057 629 HE1 TRP 77 1HE TRP 77 2.737 -9.559 -2.121 630 HE3 TRP 77 3HE TRP 77 4.133 -6.811 2.256 631 HZ2 TRP 77 2HZ TRP 77 4.471 -11.009 -0.390 632 HZ3 TRP 77 3HZ TRP 77 5.490 -8.721 3.098 633 HH2 TRP 77 HH TRP 77 5.711 -10.809 1.749 634 H PHE 78 H PHE 78 3.069 -5.649 -2.814 635 HA PHE 78 HA PHE 78 5.690 -6.658 -2.435 636 1HB PHE 78 1HB PHE 78 3.997 -6.223 -4.922 637 2HB PHE 78 2HB PHE 78 5.628 -6.871 -5.015 638 HD1 PHE 78 2HD PHE 78 6.052 -8.789 -3.016 639 HD2 PHE 78 1HD PHE 78 2.485 -7.997 -5.296 640 HE1 PHE 78 2HE PHE 78 5.470 -11.197 -2.975 641 HE2 PHE 78 1HE PHE 78 2.011 -10.426 -5.355 642 HZ PHE 78 HZ PHE 78 3.497 -12.017 -4.183 643 H ALA 79 H ALA 79 4.584 -3.875 -4.427 644 HA ALA 79 HA ALA 79 7.052 -2.875 -5.245 645 1HB ALA 79 2HB ALA 79 4.831 -1.963 -5.888 646 2HB ALA 79 3HB ALA 79 4.627 -1.301 -4.257 647 3HB ALA 79 1HB ALA 79 5.912 -0.684 -5.309 648 H ASN 80 H ASN 80 5.359 -2.278 -2.121 649 HA ASN 80 HA ASN 80 7.442 -0.553 -1.212 650 1HB ASN 80 1HB ASN 80 5.117 -0.454 -0.387 651 2HB ASN 80 2HB ASN 80 5.313 -2.067 0.348 652 1HD2 ASN 80 2HD2 ASN 80 5.758 -0.059 3.258 653 2HD2 ASN 80 1HD2 ASN 80 4.544 -0.842 2.257 654 H ARG 81 H ARG 81 6.989 -4.073 -0.857 655 HA ARG 81 HA ARG 81 9.259 -4.382 0.898 656 1HB ARG 81 1HB ARG 81 7.929 -6.295 -1.054 657 2HB ARG 81 2HB ARG 81 9.338 -6.732 -0.085 658 1HG ARG 81 1HG ARG 81 6.768 -5.677 1.146 659 2HG ARG 81 2HG ARG 81 7.061 -7.389 0.830 660 1HD ARG 81 1HD ARG 81 9.003 -7.433 2.293 661 2HD ARG 81 2HD ARG 81 8.933 -5.705 2.577 662 HE ARG 81 HE ARG 81 7.226 -7.814 3.720 663 1HH1 ARG 81 2HH2 ARG 81 8.258 -4.474 4.036 664 2HH1 ARG 81 1HH2 ARG 81 6.824 -3.963 4.887 665 1HH2 ARG 81 2HH1 ARG 81 5.355 -7.163 4.982 666 2HH2 ARG 81 1HH1 ARG 81 5.426 -5.583 5.705 667 H ARG 82 H ARG 82 8.941 -4.164 -2.688 668 HA ARG 82 HA ARG 82 11.719 -4.564 -3.235 669 1HB ARG 82 1HB ARG 82 10.040 -2.461 -4.646 670 2HB ARG 82 2HB ARG 82 11.490 -3.243 -5.214 671 1HG ARG 82 1HG ARG 82 8.825 -4.650 -4.778 672 2HG ARG 82 2HG ARG 82 9.416 -3.973 -6.277 673 1HD ARG 82 1HD ARG 82 9.991 -6.227 -6.510 674 2HD ARG 82 2HD ARG 82 11.497 -5.472 -6.011 675 HE ARG 82 HE ARG 82 9.609 -7.095 -4.282 676 1HH1 ARG 82 2HH2 ARG 82 13.061 -6.321 -5.074 677 2HH1 ARG 82 1HH2 ARG 82 13.561 -7.193 -3.641 678 1HH2 ARG 82 2HH1 ARG 82 10.493 -8.393 -2.678 679 2HH2 ARG 82 1HH1 ARG 82 12.224 -8.302 -2.332 680 H LYS 83 H LYS 83 9.934 -1.591 -2.341 681 HA LYS 83 HA LYS 83 12.169 0.061 -2.342 682 1HB LYS 83 1HB LYS 83 9.505 0.445 -1.860 683 2HB LYS 83 2HB LYS 83 10.077 0.533 -0.198 684 1HG LYS 83 1HG LYS 83 9.910 2.721 -1.174 685 2HG LYS 83 2HG LYS 83 11.620 2.379 -0.856 686 1HD LYS 83 1HD LYS 83 12.162 2.419 -3.112 687 2HD LYS 83 2HD LYS 83 10.741 1.474 -3.556 688 1HE LYS 83 1HE LYS 83 10.588 3.619 -4.612 689 2HE LYS 83 2HE LYS 83 9.283 3.434 -3.432 690 1HZ LYS 83 3HZ LYS 83 10.640 4.872 -1.949 691 2HZ LYS 83 1HZ LYS 83 11.765 5.016 -3.197 692 3HZ LYS 83 2HZ LYS 83 10.212 5.559 -3.355 693 H GLU 84 H GLU 84 10.859 -1.680 0.432 694 HA GLU 84 HA GLU 84 12.854 -1.059 2.332 695 1HB GLU 84 1HB GLU 84 10.559 -2.232 2.563 696 2HB GLU 84 2HB GLU 84 11.380 -3.723 2.094 697 1HG GLU 84 1HG GLU 84 12.716 -3.696 4.083 698 2HG GLU 84 2HG GLU 84 12.337 -1.999 4.405 699 H GLU 85 H GLU 85 12.911 -3.238 -0.436 700 HA GLU 85 HA GLU 85 15.484 -4.422 0.478 701 1HB GLU 85 1HB GLU 85 13.324 -5.777 -0.186 702 2HB GLU 85 2HB GLU 85 13.819 -5.421 -1.847 703 1HG GLU 85 1HG GLU 85 16.081 -6.492 -1.266 704 2HG GLU 85 2HG GLU 85 15.456 -6.626 0.380 705 H ALA 86 H ALA 86 14.711 -1.817 -1.079 706 HA ALA 86 HA ALA 86 16.729 -2.052 -3.290 707 1HB ALA 86 2HB ALA 86 14.346 -0.181 -2.959 708 2HB ALA 86 3HB ALA 86 15.508 -0.128 -4.286 709 3HB ALA 86 1HB ALA 86 14.479 -1.543 -4.098 710 H PHE 87 H PHE 87 15.362 0.080 -0.759 711 HA PHE 87 HA PHE 87 17.422 1.966 -0.533 712 1HB PHE 87 1HB PHE 87 15.320 0.896 1.319 713 2HB PHE 87 2HB PHE 87 16.816 1.319 2.114 714 HD1 PHE 87 1HD PHE 87 14.796 2.984 -0.599 715 HD2 PHE 87 2HD PHE 87 16.890 3.337 3.168 716 HE1 PHE 87 1HE PHE 87 14.369 5.441 -0.567 717 HE2 PHE 87 2HE PHE 87 16.519 5.771 3.147 718 HZ PHE 87 HZ PHE 87 15.269 6.835 1.268 719 H ARG 88 H ARG 88 17.286 -1.225 1.302 720 HA ARG 88 HA ARG 88 19.839 -0.852 2.446 721 1HB ARG 88 1HB ARG 88 17.903 -2.613 2.912 722 2HB ARG 88 2HB ARG 88 18.658 -3.535 1.623 723 1HG ARG 88 1HG ARG 88 20.862 -3.203 3.102 724 2HG ARG 88 2HG ARG 88 19.698 -2.800 4.372 725 1HD ARG 88 1HD ARG 88 19.889 -5.168 4.607 726 2HD ARG 88 2HD ARG 88 18.456 -4.995 3.632 727 HE ARG 88 HE ARG 88 19.535 -5.764 1.724 728 1HH1 ARG 88 2HH2 ARG 88 21.798 -5.550 4.494 729 2HH1 ARG 88 1HH2 ARG 88 23.062 -6.436 3.651 730 1HH2 ARG 88 2HH1 ARG 88 21.373 -7.027 0.712 731 2HH2 ARG 88 1HH1 ARG 88 22.830 -7.217 1.679 732 H HIS 89 H HIS 89 18.808 -2.225 -0.651 733 HA HIS 89 HA HIS 89 21.212 -3.644 -1.097 734 1HB HIS 89 1HB HIS 89 18.827 -3.924 -2.085 735 2HB HIS 89 2HB HIS 89 19.348 -2.804 -3.341 736 HD1 HIS 89 1HD HIS 89 22.369 -4.011 -3.582 737 HD2 HIS 89 2HD HIS 89 18.846 -6.245 -3.048 738 HE1 HIS 89 1HE HIS 89 22.953 -6.449 -4.100 739 H LYS 90 H LYS 90 20.262 -0.304 -1.772 740 HA LYS 90 HA LYS 90 22.579 0.083 -3.551 741 1HB LYS 90 1HB LYS 90 21.821 2.257 -3.906 742 2HB LYS 90 2HB LYS 90 20.453 1.168 -4.039 743 1HG LYS 90 1HG LYS 90 19.361 2.009 -2.218 744 2HG LYS 90 2HG LYS 90 20.807 2.464 -1.354 745 1HD LYS 90 1HD LYS 90 19.657 3.903 -3.785 746 2HD LYS 90 2HD LYS 90 19.489 4.415 -2.114 747 1HE LYS 90 1HE LYS 90 22.034 4.430 -3.799 748 2HE LYS 90 2HE LYS 90 21.159 5.787 -3.112 749 1HZ LYS 90 3HZ LYS 90 21.780 4.865 -0.883 750 2HZ LYS 90 1HZ LYS 90 22.797 3.815 -1.661 751 3HZ LYS 90 2HZ LYS 90 23.021 5.428 -1.787 752 H LEU 91 H LEU 91 23.069 -0.687 -0.635 753 HA LEU 91 HA LEU 91 25.368 0.873 -0.477 754 1HB LEU 91 1HB LEU 91 25.182 1.639 1.881 755 2HB LEU 91 2HB LEU 91 24.481 2.613 0.617 756 HG LEU 91 HG LEU 91 23.187 2.806 2.520 757 1HD1 LEU 91 3HD1 LEU 91 22.092 2.864 0.392 758 2HD1 LEU 91 1HD1 LEU 91 21.629 1.161 0.619 759 3HD1 LEU 91 2HD1 LEU 91 20.996 2.402 1.717 760 1HD2 LEU 91 3HD2 LEU 91 23.647 0.369 3.468 761 2HD2 LEU 91 1HD2 LEU 91 22.129 1.206 3.821 762 3HD2 LEU 91 2HD2 LEU 91 22.158 -0.028 2.578 763 H ALA 92 H ALA 92 23.264 -1.134 1.530 764 HA ALA 92 HA ALA 92 23.748 -2.629 3.138 765 1HB ALA 92 2HB ALA 92 23.688 -3.891 0.985 766 2HB ALA 92 3HB ALA 92 25.460 -3.788 0.900 767 3HB ALA 92 1HB ALA 92 24.677 -4.686 2.218 768 H MET 93 H MET 93 25.799 -0.350 3.039 769 HA MET 93 HA MET 93 27.640 -1.525 5.040 770 1HB MET 93 1HB MET 93 28.514 0.107 2.600 771 2HB MET 93 2HB MET 93 29.551 -0.360 3.949 772 1HG MET 93 1HG MET 93 29.226 -2.750 3.387 773 2HG MET 93 2HG MET 93 28.219 -2.280 2.013 774 1HE MET 93 1HE MET 93 31.847 -2.235 3.490 775 2HE MET 93 2HE MET 93 32.761 -1.522 2.141 776 3HE MET 93 3HE MET 93 31.656 -0.508 3.088 777 H ASP 94 H ASP 94 25.309 0.454 4.787 778 HA ASP 94 HA ASP 94 26.531 2.906 6.066 779 1HB ASP 94 1HB ASP 94 24.126 2.403 4.333 780 2HB ASP 94 2HB ASP 94 24.010 3.660 5.562 781 H THR 95 H THR 95 23.520 1.023 5.919 782 HA THR 95 HA THR 95 23.204 0.954 8.860 783 HB THR 95 HB THR 95 20.781 1.744 8.298 784 HG1 THR 95 1HG THR 95 22.180 2.952 6.146 785 1HG2 THR 95 1HG2 THR 95 22.329 3.142 9.603 786 2HG2 THR 95 2HG2 THR 95 23.012 3.815 8.107 787 3HG2 THR 95 3HG2 THR 95 21.315 4.106 8.531 788 H TYR 96 H TYR 96 21.815 -0.631 9.512 789 HA TYR 96 HA TYR 96 20.477 -2.357 7.480 790 1HB TYR 96 1HB TYR 96 22.148 -3.593 8.898 791 2HB TYR 96 2HB TYR 96 21.285 -3.057 10.337 792 HD1 TYR 96 1HD TYR 96 20.593 -4.776 7.039 793 HD2 TYR 96 2HD TYR 96 19.783 -4.626 11.271 794 HE1 TYR 96 1HE TYR 96 18.941 -6.601 6.789 795 HE2 TYR 96 2HE TYR 96 18.141 -6.459 11.020 796 HH TYR 96 HH TYR 96 17.040 -7.866 9.541 797 H LYS 97 H LYS 97 18.419 -3.214 8.987 798 HA LYS 97 HA LYS 97 16.607 -2.872 10.238 799 1HB LYS 97 1HB LYS 97 18.033 -1.905 11.957 800 2HB LYS 97 2HB LYS 97 17.912 -0.298 11.229 801 1HG LYS 97 1HG LYS 97 15.514 -0.250 11.565 802 2HG LYS 97 2HG LYS 97 15.557 -1.862 12.289 803 1HD LYS 97 1HD LYS 97 17.070 0.600 13.313 804 2HD LYS 97 2HD LYS 97 15.469 0.110 13.879 805 1HE LYS 97 1HE LYS 97 18.029 -1.511 14.203 806 2HE LYS 97 2HE LYS 97 17.225 -0.548 15.434 807 1HZ LYS 97 3HZ LYS 97 15.263 -1.956 15.150 808 2HZ LYS 97 1HZ LYS 97 16.161 -2.999 14.190 809 3HZ LYS 97 2HZ LYS 97 16.569 -2.706 15.766 810 H LEU 98 H LEU 98 17.593 0.266 9.009 811 HA LEU 98 HA LEU 98 16.392 1.934 7.974 812 1HB LEU 98 1HB LEU 98 16.295 1.538 5.659 813 2HB LEU 98 2HB LEU 98 17.783 0.897 6.329 814 HG LEU 98 HG LEU 98 15.425 -0.966 5.748 815 1HD1 LEU 98 1HD1 LEU 98 15.730 0.384 3.796 816 2HD1 LEU 98 2HD1 LEU 98 17.480 -0.013 3.782 817 3HD1 LEU 98 3HD1 LEU 98 16.248 -1.277 3.526 818 1HD2 LEU 98 2HD2 LEU 98 18.470 -1.303 5.801 819 2HD2 LEU 98 3HD2 LEU 98 17.308 -2.037 6.928 820 3HD2 LEU 98 1HD2 LEU 98 17.325 -2.548 5.253 821 H ASN 99 H ASN 99 14.615 1.468 9.650 822 HA ASN 99 HA ASN 99 12.122 1.814 8.199 823 1HB ASN 99 2HB ASN 99 10.839 0.126 9.249 824 2HB ASN 99 3HB ASN 99 12.257 -0.728 8.642 825 1HD2 ASN 99 2HD2 ASN 99 13.384 -1.710 11.860 826 2HD2 ASN 99 1HD2 ASN 99 13.815 -1.502 10.153 No H/Q in entry = 826 Start of MODEL 13 1 1H MET 0 3H MET 0 0.112 23.669 -6.570 2 2H MET 0 1H MET 0 0.544 22.864 -5.196 3 3H MET 0 2H MET 0 0.644 24.496 -5.274 4 HA MET 0 HA MET 0 2.425 24.501 -6.750 5 1HB MET 0 2HB MET 0 3.048 22.063 -5.054 6 2HB MET 0 3HB MET 0 4.169 23.238 -5.776 7 1HG MET 0 2HG MET 0 3.001 25.005 -4.291 8 2HG MET 0 3HG MET 0 2.316 23.604 -3.442 9 1HE MET 0 3HE MET 0 5.447 25.741 -4.221 10 2HE MET 0 1HE MET 0 6.765 24.817 -3.470 11 3HE MET 0 2HE MET 0 5.992 24.210 -4.938 12 H ALA 1 H ALA 1 3.961 21.858 -7.215 13 HA ALA 1 HA ALA 1 2.303 20.722 -9.426 14 1HB ALA 1 2HB ALA 1 5.034 22.003 -9.538 15 2HB ALA 1 3HB ALA 1 4.426 20.923 -10.813 16 3HB ALA 1 1HB ALA 1 3.593 22.452 -10.469 17 H ARG 2 H ARG 2 2.056 19.050 -7.852 18 HA ARG 2 HA ARG 2 4.480 17.648 -6.882 19 1HB ARG 2 1HB ARG 2 2.960 16.363 -5.517 20 2HB ARG 2 2HB ARG 2 2.800 18.094 -5.269 21 1HG ARG 2 1HG ARG 2 0.599 18.008 -5.652 22 2HG ARG 2 2HG ARG 2 0.881 17.405 -7.287 23 1HD ARG 2 1HD ARG 2 1.174 15.052 -6.165 24 2HD ARG 2 2HD ARG 2 0.505 15.816 -4.725 25 HE ARG 2 HE ARG 2 -1.601 15.961 -5.746 26 1HH1 ARG 2 2HH2 ARG 2 0.814 15.268 -8.266 27 2HH1 ARG 2 1HH2 ARG 2 -0.432 14.960 -9.455 28 1HH2 ARG 2 2HH1 ARG 2 -3.138 15.106 -7.195 29 2HH2 ARG 2 1HH1 ARG 2 -2.692 14.752 -8.840 30 H ILE 3 H ILE 3 4.915 17.315 -9.266 31 HA ILE 3 HA ILE 3 3.564 15.319 -10.732 32 HB ILE 3 HB ILE 3 5.083 16.618 -11.920 33 1HG1 ILE 3 1HG1 ILE 3 6.621 15.165 -12.962 34 2HG1 ILE 3 2HG1 ILE 3 6.650 14.037 -11.598 35 1HG2 ILE 3 3HG2 ILE 3 7.262 15.939 -9.911 36 2HG2 ILE 3 1HG2 ILE 3 7.536 16.737 -11.467 37 3HG2 ILE 3 2HG2 ILE 3 6.553 17.534 -10.251 38 1HD1 ILE 3 2HD1 ILE 3 4.145 14.637 -13.237 39 2HD1 ILE 3 3HD1 ILE 3 5.292 13.336 -13.615 40 3HD1 ILE 3 1HD1 ILE 3 4.387 13.303 -12.095 41 H ASP 4 H ASP 4 3.058 13.391 -9.912 42 HA ASP 4 HA ASP 4 4.187 12.480 -7.559 43 1HB ASP 4 1HB ASP 4 1.944 11.929 -8.161 44 2HB ASP 4 2HB ASP 4 2.489 10.904 -9.507 45 HA PRO 5 HA PRO 5 7.782 10.432 -9.322 46 1HB PRO 5 1HB PRO 5 9.159 9.886 -7.050 47 2HB PRO 5 2HB PRO 5 8.793 11.563 -7.532 48 1HG PRO 5 1HG PRO 5 7.195 9.820 -5.618 49 2HG PRO 5 2HG PRO 5 7.883 11.436 -5.290 50 1HD PRO 5 1HD PRO 5 5.323 11.140 -6.136 51 2HD PRO 5 2HD PRO 5 6.335 12.492 -6.734 52 H THR 6 H THR 6 5.211 8.699 -8.720 53 HA THR 6 HA THR 6 4.710 6.537 -8.990 54 HB THR 6 HB THR 6 6.134 5.084 -10.204 55 HG1 THR 6 1HG THR 6 8.248 6.816 -9.516 56 1HG2 THR 6 3HG2 THR 6 5.146 6.868 -11.541 57 2HG2 THR 6 1HG2 THR 6 6.556 7.916 -11.251 58 3HG2 THR 6 2HG2 THR 6 6.725 6.418 -12.182 59 H LYS 7 H LYS 7 5.370 7.388 -6.407 60 HA LYS 7 HA LYS 7 6.412 4.897 -5.185 61 1HB LYS 7 1HB LYS 7 7.793 7.411 -5.411 62 2HB LYS 7 2HB LYS 7 7.306 7.315 -3.754 63 1HG LYS 7 1HG LYS 7 8.923 5.327 -5.389 64 2HG LYS 7 2HG LYS 7 9.576 6.400 -4.164 65 1HD LYS 7 1HD LYS 7 7.549 4.193 -3.485 66 2HD LYS 7 2HD LYS 7 9.261 3.904 -3.611 67 1HE LYS 7 1HE LYS 7 8.528 4.224 -1.279 68 2HE LYS 7 2HE LYS 7 9.754 5.405 -1.742 69 1HZ LYS 7 2HZ LYS 7 6.868 6.004 -1.739 70 2HZ LYS 7 3HZ LYS 7 7.891 6.239 -0.459 71 3HZ LYS 7 1HZ LYS 7 8.135 7.070 -1.847 72 H LYS 8 H LYS 8 3.698 5.685 -5.499 73 HA LYS 8 HA LYS 8 2.984 7.250 -3.112 74 1HB LYS 8 1HB LYS 8 0.755 7.366 -4.100 75 2HB LYS 8 2HB LYS 8 2.046 7.970 -5.135 76 1HG LYS 8 1HG LYS 8 1.410 5.135 -5.678 77 2HG LYS 8 2HG LYS 8 0.006 6.203 -5.803 78 1HD LYS 8 1HD LYS 8 1.208 7.701 -7.361 79 2HD LYS 8 2HD LYS 8 2.671 6.733 -7.188 80 1HE LYS 8 1HE LYS 8 1.577 6.175 -9.279 81 2HE LYS 8 2HE LYS 8 1.537 4.777 -8.195 82 1HZ LYS 8 1HZ LYS 8 -0.763 6.587 -8.671 83 2HZ LYS 8 2HZ LYS 8 -0.580 5.086 -9.277 84 3HZ LYS 8 3HZ LYS 8 -0.739 5.263 -7.687 85 H GLY 9 H GLY 9 3.971 4.805 -2.233 86 1HA GLY 9 1HA GLY 9 1.817 2.987 -1.614 87 2HA GLY 9 2HA GLY 9 3.375 3.101 -0.791 88 H ARG 10 H ARG 10 3.645 5.187 0.531 89 HA ARG 10 HA ARG 10 3.355 5.435 2.715 90 1HB ARG 10 1HB ARG 10 1.991 7.213 3.377 91 2HB ARG 10 2HB ARG 10 2.829 7.591 1.894 92 1HG ARG 10 1HG ARG 10 -0.077 6.589 1.862 93 2HG ARG 10 2HG ARG 10 0.273 8.244 2.323 94 1HD ARG 10 1HD ARG 10 0.877 6.951 -0.337 95 2HD ARG 10 2HD ARG 10 -0.317 8.212 0.031 96 HE ARG 10 HE ARG 10 2.342 9.111 0.771 97 1HH1 ARG 10 2HH2 ARG 10 0.213 8.634 -1.970 98 2HH1 ARG 10 1HH2 ARG 10 1.187 9.545 -3.083 99 1HH2 ARG 10 2HH1 ARG 10 3.700 10.160 -0.621 100 2HH2 ARG 10 1HH1 ARG 10 3.417 10.158 -2.372 101 H ARG 11 H ARG 11 2.492 2.941 2.336 102 HA ARG 11 HA ARG 11 -0.083 2.505 3.314 103 1HB ARG 11 1HB ARG 11 1.180 0.893 2.108 104 2HB ARG 11 2HB ARG 11 2.427 0.810 3.359 105 1HG ARG 11 1HG ARG 11 -0.483 -0.092 3.655 106 2HG ARG 11 2HG ARG 11 0.845 -1.129 3.157 107 1HD ARG 11 1HD ARG 11 0.270 -0.048 5.893 108 2HD ARG 11 2HD ARG 11 0.618 -1.669 5.339 109 HE ARG 11 HE ARG 11 2.842 0.369 5.261 110 1HH1 ARG 11 2HH2 ARG 11 1.409 -2.134 7.240 111 2HH1 ARG 11 1HH2 ARG 11 2.944 -2.848 7.689 112 1HH2 ARG 11 2HH1 ARG 11 4.741 -0.274 6.031 113 2HH2 ARG 11 1HH1 ARG 11 4.954 -1.837 6.849 114 H ASN 12 H ASN 12 -0.680 2.088 5.401 115 HA ASN 12 HA ASN 12 0.868 1.589 7.594 116 1HB ASN 12 1HB ASN 12 1.527 4.105 7.428 117 2HB ASN 12 2HB ASN 12 -0.079 4.441 8.063 118 1HD2 ASN 12 2HD2 ASN 12 2.835 3.326 10.536 119 2HD2 ASN 12 1HD2 ASN 12 2.956 4.326 9.102 120 H ARG 13 H ARG 13 -1.967 3.811 7.252 121 HA ARG 13 HA ARG 13 -3.514 2.608 9.244 122 1HB ARG 13 1HB ARG 13 -5.532 3.463 7.860 123 2HB ARG 13 2HB ARG 13 -4.414 4.596 8.609 124 1HG ARG 13 1HG ARG 13 -3.379 5.163 6.556 125 2HG ARG 13 2HG ARG 13 -4.162 3.853 5.659 126 1HD ARG 13 1HD ARG 13 -5.834 5.942 7.093 127 2HD ARG 13 2HD ARG 13 -5.097 6.302 5.527 128 HE ARG 13 HE ARG 13 -6.322 3.956 4.941 129 1HH1 ARG 13 2HH2 ARG 13 -7.853 6.643 6.772 130 2HH1 ARG 13 1HH2 ARG 13 -9.103 6.802 5.579 131 1HH2 ARG 13 2HH1 ARG 13 -8.069 4.007 3.695 132 2HH2 ARG 13 1HH1 ARG 13 -9.407 5.112 3.952 133 H PHE 14 H PHE 14 -3.662 1.922 5.715 134 HA PHE 14 HA PHE 14 -5.373 -0.347 6.041 135 1HB PHE 14 1HB PHE 14 -5.049 0.752 3.841 136 2HB PHE 14 2HB PHE 14 -3.367 0.213 3.818 137 HD1 PHE 14 2HD PHE 14 -6.925 -0.866 3.599 138 HD2 PHE 14 1HD PHE 14 -2.804 -2.175 3.494 139 HE1 PHE 14 2HE PHE 14 -7.661 -3.194 3.173 140 HE2 PHE 14 1HE PHE 14 -3.579 -4.503 3.139 141 HZ PHE 14 HZ PHE 14 -5.963 -5.021 2.995 142 H LYS 15 H LYS 15 -4.963 -2.307 6.750 143 HA LYS 15 HA LYS 15 -2.223 -3.362 6.880 144 1HB LYS 15 1HB LYS 15 -2.677 -4.180 9.194 145 2HB LYS 15 2HB LYS 15 -2.445 -2.432 9.034 146 1HG LYS 15 1HG LYS 15 -4.957 -2.116 9.139 147 2HG LYS 15 2HG LYS 15 -5.125 -3.857 9.344 148 1HD LYS 15 1HD LYS 15 -5.266 -2.684 11.499 149 2HD LYS 15 2HD LYS 15 -3.913 -3.817 11.448 150 1HE LYS 15 1HE LYS 15 -3.317 -1.677 12.551 151 2HE LYS 15 2HE LYS 15 -2.298 -1.997 11.166 152 1HZ LYS 15 3HZ LYS 15 -3.744 -0.406 9.902 153 2HZ LYS 15 1HZ LYS 15 -4.591 -0.122 11.263 154 3HZ LYS 15 2HZ LYS 15 -2.987 0.254 11.205 155 H TRP 16 H TRP 16 -2.235 -5.413 6.305 156 HA TRP 16 HA TRP 16 -4.637 -6.784 5.359 157 1HB TRP 16 1HB TRP 16 -1.741 -7.606 5.837 158 2HB TRP 16 2HB TRP 16 -2.970 -8.540 4.988 159 HD1 TRP 16 HD TRP 16 -1.115 -5.165 4.449 160 HE1 TRP 16 1HE TRP 16 -0.614 -4.914 1.935 161 HE3 TRP 16 3HE TRP 16 -3.411 -9.385 2.737 162 HZ2 TRP 16 2HZ TRP 16 -1.193 -6.316 -0.458 163 HZ3 TRP 16 3HZ TRP 16 -3.190 -10.033 0.333 164 HH2 TRP 16 HH TRP 16 -2.215 -8.453 -1.291 165 H GLY 17 H GLY 17 -5.636 -8.559 6.678 166 1HA GLY 17 1HA GLY 17 -5.037 -8.431 9.539 167 2HA GLY 17 2HA GLY 17 -6.235 -9.447 8.747 168 HA PRO 18 HA PRO 18 -2.099 -11.361 10.012 169 1HB PRO 18 1HB PRO 18 -3.073 -13.419 11.707 170 2HB PRO 18 2HB PRO 18 -2.456 -11.820 12.200 171 1HG PRO 18 1HG PRO 18 -5.324 -12.648 11.698 172 2HG PRO 18 2HG PRO 18 -4.685 -11.668 13.050 173 1HD PRO 18 1HD PRO 18 -5.870 -10.454 10.967 174 2HD PRO 18 2HD PRO 18 -4.347 -9.781 11.600 175 H ALA 19 H ALA 19 -4.843 -12.903 8.523 176 HA ALA 19 HA ALA 19 -3.476 -15.562 8.423 177 1HB ALA 19 2HB ALA 19 -5.929 -15.521 8.738 178 2HB ALA 19 3HB ALA 19 -6.117 -14.665 7.184 179 3HB ALA 19 1HB ALA 19 -5.458 -16.311 7.221 180 H SER 20 H SER 20 -4.511 -12.910 6.350 181 HA SER 20 HA SER 20 -3.923 -13.891 3.851 182 1HB SER 20 1HB SER 20 -3.800 -11.592 3.216 183 2HB SER 20 2HB SER 20 -5.104 -11.788 4.431 184 HG SER 20 HG SER 20 -3.755 -10.883 5.960 185 H GLN 21 H GLN 21 -1.643 -12.770 6.285 186 HA GLN 21 HA GLN 21 0.558 -12.161 4.595 187 1HB GLN 21 1HB GLN 21 0.652 -13.261 7.430 188 2HB GLN 21 2HB GLN 21 1.908 -12.339 6.588 189 1HG GLN 21 1HG GLN 21 -0.822 -11.312 7.508 190 2HG GLN 21 2HG GLN 21 0.765 -10.870 8.124 191 1HE2 GLN 21 2HE2 GLN 21 -0.600 -9.161 4.634 192 2HE2 GLN 21 1HE2 GLN 21 -1.478 -10.496 5.335 193 H GLN 22 H GLN 22 -0.704 -15.243 5.823 194 HA GLN 22 HA GLN 22 1.421 -16.945 5.080 195 1HB GLN 22 1HB GLN 22 -0.533 -17.622 6.422 196 2HB GLN 22 2HB GLN 22 -1.609 -17.327 5.048 197 1HG GLN 22 1HG GLN 22 -1.226 -19.679 5.441 198 2HG GLN 22 2HG GLN 22 -0.759 -19.148 3.819 199 1HE2 GLN 22 2HE2 GLN 22 2.201 -21.073 4.435 200 2HE2 GLN 22 1HE2 GLN 22 0.681 -21.017 3.564 201 H ILE 23 H ILE 23 -1.265 -15.550 3.180 202 HA ILE 23 HA ILE 23 -0.542 -16.960 0.750 203 HB ILE 23 HB ILE 23 -2.512 -14.706 1.310 204 1HG1 ILE 23 1HG1 ILE 23 -3.943 -16.884 0.505 205 2HG1 ILE 23 2HG1 ILE 23 -2.597 -17.722 1.257 206 1HG2 ILE 23 3HG2 ILE 23 -1.759 -14.554 -1.032 207 2HG2 ILE 23 1HG2 ILE 23 -2.164 -16.268 -1.267 208 3HG2 ILE 23 2HG2 ILE 23 -3.431 -15.073 -0.894 209 1HD1 ILE 23 2HD1 ILE 23 -3.062 -16.420 3.355 210 2HD1 ILE 23 3HD1 ILE 23 -4.442 -15.673 2.500 211 3HD1 ILE 23 1HD1 ILE 23 -4.415 -17.425 2.795 212 H LEU 24 H LEU 24 0.143 -13.750 2.153 213 HA LEU 24 HA LEU 24 1.478 -12.725 -0.179 214 1HB LEU 24 1HB LEU 24 2.008 -12.238 2.808 215 2HB LEU 24 2HB LEU 24 2.850 -11.423 1.508 216 HG LEU 24 HG LEU 24 -0.121 -11.227 2.097 217 1HD1 LEU 24 1HD1 LEU 24 1.450 -9.872 3.513 218 2HD1 LEU 24 2HD1 LEU 24 2.037 -9.095 2.037 219 3HD1 LEU 24 3HD1 LEU 24 0.348 -8.890 2.521 220 1HD2 LEU 24 3HD2 LEU 24 1.480 -10.472 -0.322 221 2HD2 LEU 24 1HD2 LEU 24 -0.195 -11.037 -0.199 222 3HD2 LEU 24 2HD2 LEU 24 0.209 -9.359 0.209 223 H PHE 25 H PHE 25 2.753 -14.622 2.583 224 HA PHE 25 HA PHE 25 5.364 -14.887 1.539 225 1HB PHE 25 1HB PHE 25 3.881 -16.799 3.356 226 2HB PHE 25 2HB PHE 25 5.624 -16.713 3.142 227 HD1 PHE 25 1HD PHE 25 6.117 -13.727 3.244 228 HD2 PHE 25 2HD PHE 25 3.643 -16.299 5.678 229 HE1 PHE 25 1HE PHE 25 6.179 -12.070 5.066 230 HE2 PHE 25 2HE PHE 25 3.726 -14.638 7.501 231 HZ PHE 25 HZ PHE 25 4.969 -12.502 7.197 232 H GLN 26 H GLN 26 2.535 -17.060 1.119 233 HA GLN 26 HA GLN 26 3.918 -19.110 -0.170 234 1HB GLN 26 1HB GLN 26 1.900 -20.111 -0.519 235 2HB GLN 26 2HB GLN 26 1.382 -18.906 0.644 236 1HG GLN 26 1HG GLN 26 0.513 -17.512 -1.214 237 2HG GLN 26 2HG GLN 26 1.181 -18.627 -2.396 238 1HE2 GLN 26 2HE2 GLN 26 -2.163 -19.904 -0.412 239 2HE2 GLN 26 1HE2 GLN 26 -1.015 -18.927 0.479 240 H ALA 27 H ALA 27 3.360 -15.986 -1.494 241 HA ALA 27 HA ALA 27 4.210 -17.022 -4.190 242 1HB ALA 27 2HB ALA 27 2.968 -14.354 -3.332 243 2HB ALA 27 3HB ALA 27 3.449 -14.771 -4.991 244 3HB ALA 27 1HB ALA 27 2.113 -15.646 -4.203 245 H TYR 28 H TYR 28 4.848 -14.522 -1.678 246 HA TYR 28 HA TYR 28 7.010 -13.251 -2.854 247 1HB TYR 28 1HB TYR 28 5.838 -12.691 -0.676 248 2HB TYR 28 2HB TYR 28 6.801 -13.942 0.091 249 HD1 TYR 28 2HD TYR 28 7.221 -10.867 -2.063 250 HD2 TYR 28 1HD TYR 28 8.826 -13.291 1.121 251 HE1 TYR 28 2HE TYR 28 9.172 -9.361 -1.909 252 HE2 TYR 28 1HE TYR 28 10.732 -11.733 1.336 253 HH TYR 28 HH TYR 28 11.265 -9.026 -0.937 254 H GLU 29 H GLU 29 6.963 -16.329 -1.156 255 HA GLU 29 HA GLU 29 9.515 -17.280 -0.972 256 1HB GLU 29 1HB GLU 29 7.429 -18.514 -0.574 257 2HB GLU 29 2HB GLU 29 7.001 -18.434 -2.279 258 1HG GLU 29 1HG GLU 29 9.052 -19.839 -2.768 259 2HG GLU 29 2HG GLU 29 9.222 -20.043 -1.023 260 H ARG 30 H ARG 30 7.624 -17.381 -3.991 261 HA ARG 30 HA ARG 30 10.047 -17.948 -5.572 262 1HB ARG 30 1HB ARG 30 7.051 -18.093 -5.998 263 2HB ARG 30 2HB ARG 30 8.116 -18.063 -7.409 264 1HG ARG 30 1HG ARG 30 9.068 -20.101 -6.987 265 2HG ARG 30 2HG ARG 30 8.746 -20.051 -5.248 266 1HD ARG 30 1HD ARG 30 6.363 -20.076 -7.138 267 2HD ARG 30 2HD ARG 30 7.277 -21.562 -6.886 268 HE ARG 30 HE ARG 30 7.039 -21.241 -4.423 269 1HH1 ARG 30 2HH2 ARG 30 4.546 -19.528 -6.270 270 2HH1 ARG 30 1HH2 ARG 30 3.487 -19.568 -4.877 271 1HH2 ARG 30 2HH1 ARG 30 5.620 -21.519 -2.894 272 2HH2 ARG 30 1HH1 ARG 30 4.186 -20.567 -2.897 273 H GLN 31 H GLN 31 7.166 -15.856 -5.811 274 HA GLN 31 HA GLN 31 8.496 -14.186 -7.876 275 1HB GLN 31 1HB GLN 31 5.598 -14.795 -7.205 276 2HB GLN 31 2HB GLN 31 6.097 -13.482 -8.291 277 1HG GLN 31 1HG GLN 31 6.977 -14.909 -9.909 278 2HG GLN 31 2HG GLN 31 7.238 -16.226 -8.771 279 1HE2 GLN 31 2HE2 GLN 31 3.477 -15.881 -10.424 280 2HE2 GLN 31 1HE2 GLN 31 4.292 -14.401 -9.962 281 H LYS 32 H LYS 32 9.544 -12.594 -6.905 282 HA LYS 32 HA LYS 32 8.155 -10.978 -4.799 283 1HB LYS 32 1HB LYS 32 11.101 -11.097 -5.559 284 2HB LYS 32 2HB LYS 32 10.378 -10.096 -4.284 285 1HG LYS 32 1HG LYS 32 9.441 -12.185 -3.259 286 2HG LYS 32 2HG LYS 32 10.389 -13.169 -4.341 287 1HD LYS 32 1HD LYS 32 11.714 -11.082 -2.539 288 2HD LYS 32 2HD LYS 32 11.196 -12.659 -1.918 289 1HE LYS 32 1HE LYS 32 13.561 -12.707 -2.491 290 2HE LYS 32 2HE LYS 32 12.623 -13.862 -3.450 291 1HZ LYS 32 3HZ LYS 32 13.362 -11.188 -4.472 292 2HZ LYS 32 1HZ LYS 32 14.304 -12.523 -4.660 293 3HZ LYS 32 2HZ LYS 32 12.782 -12.501 -5.308 294 H ASN 33 H ASN 33 8.203 -11.027 -8.118 295 HA ASN 33 HA ASN 33 7.611 -8.225 -8.023 296 1HB ASN 33 1HB ASN 33 8.262 -7.815 -10.138 297 2HB ASN 33 2HB ASN 33 9.711 -8.431 -9.353 298 1HD2 ASN 33 2HD2 ASN 33 10.066 -10.993 -11.820 299 2HD2 ASN 33 1HD2 ASN 33 10.690 -10.348 -10.320 300 HA PRO 34 HA PRO 34 3.976 -10.449 -8.693 301 1HB PRO 34 1HB PRO 34 2.173 -8.441 -9.211 302 2HB PRO 34 2HB PRO 34 2.863 -8.836 -7.621 303 1HG PRO 34 1HG PRO 34 3.741 -6.715 -9.598 304 2HG PRO 34 2HG PRO 34 3.493 -6.528 -7.836 305 1HD PRO 34 1HD PRO 34 5.975 -6.943 -8.833 306 2HD PRO 34 2HD PRO 34 5.452 -7.787 -7.348 307 H SER 35 H SER 35 4.144 -11.772 -10.445 308 HA SER 35 HA SER 35 4.833 -10.876 -13.007 309 1HB SER 35 1HB SER 35 4.959 -13.244 -11.663 310 2HB SER 35 2HB SER 35 3.646 -13.632 -12.772 311 HG SER 35 HG SER 35 5.063 -12.926 -14.466 312 H LYS 36 H LYS 36 1.798 -12.732 -12.365 313 HA LYS 36 HA LYS 36 0.188 -10.536 -12.991 314 1HB LYS 36 1HB LYS 36 0.818 -11.223 -15.382 315 2HB LYS 36 2HB LYS 36 -0.140 -12.675 -15.119 316 1HG LYS 36 1HG LYS 36 -2.020 -11.022 -14.253 317 2HG LYS 36 2HG LYS 36 -1.005 -9.749 -14.889 318 1HD LYS 36 1HD LYS 36 -2.636 -9.996 -16.445 319 2HD LYS 36 2HD LYS 36 -1.309 -10.864 -17.211 320 1HE LYS 36 1HE LYS 36 -3.335 -12.375 -15.469 321 2HE LYS 36 2HE LYS 36 -3.826 -11.820 -17.066 322 1HZ LYS 36 1HZ LYS 36 -1.547 -13.611 -16.559 323 2HZ LYS 36 2HZ LYS 36 -2.987 -14.056 -17.026 324 3HZ LYS 36 3HZ LYS 36 -2.111 -13.090 -18.060 325 H GLU 37 H GLU 37 -0.404 -14.058 -13.666 326 HA GLU 37 HA GLU 37 -2.877 -14.189 -12.716 327 1HB GLU 37 1HB GLU 37 -0.494 -15.970 -13.322 328 2HB GLU 37 2HB GLU 37 -1.532 -16.597 -12.092 329 1HG GLU 37 1HG GLU 37 -2.318 -17.414 -14.236 330 2HG GLU 37 2HG GLU 37 -3.537 -16.303 -13.581 331 H GLU 38 H GLU 38 0.118 -14.807 -11.023 332 HA GLU 38 HA GLU 38 -0.164 -15.226 -8.415 333 1HB GLU 38 1HB GLU 38 1.880 -14.613 -9.606 334 2HB GLU 38 2HB GLU 38 1.320 -12.945 -9.804 335 1HG GLU 38 1HG GLU 38 1.404 -12.662 -7.330 336 2HG GLU 38 2HG GLU 38 2.050 -14.315 -7.184 337 H ARG 39 H ARG 39 -0.716 -11.922 -9.798 338 HA ARG 39 HA ARG 39 -1.377 -10.847 -7.255 339 1HB ARG 39 1HB ARG 39 -1.969 -9.891 -10.105 340 2HB ARG 39 2HB ARG 39 -2.376 -8.939 -8.671 341 1HG ARG 39 1HG ARG 39 -0.064 -8.777 -8.022 342 2HG ARG 39 2HG ARG 39 0.439 -9.865 -9.329 343 1HD ARG 39 1HD ARG 39 -1.194 -7.508 -10.185 344 2HD ARG 39 2HD ARG 39 0.360 -7.066 -9.494 345 HE ARG 39 HE ARG 39 1.187 -8.953 -11.200 346 1HH1 ARG 39 2HH2 ARG 39 -0.833 -6.037 -11.716 347 2HH1 ARG 39 1HH2 ARG 39 -0.925 -6.350 -13.445 348 1HH2 ARG 39 2HH1 ARG 39 1.514 -8.862 -13.523 349 2HH2 ARG 39 1HH1 ARG 39 0.502 -7.836 -14.481 350 H GLU 40 H GLU 40 -3.385 -11.923 -9.989 351 HA GLU 40 HA GLU 40 -5.890 -11.072 -8.978 352 1HB GLU 40 1HB GLU 40 -4.868 -12.619 -11.189 353 2HB GLU 40 2HB GLU 40 -6.289 -13.413 -10.510 354 1HG GLU 40 1HG GLU 40 -7.088 -11.980 -12.204 355 2HG GLU 40 2HG GLU 40 -7.510 -11.178 -10.689 356 H THR 41 H THR 41 -4.271 -14.222 -8.933 357 HA THR 41 HA THR 41 -5.773 -15.750 -7.185 358 HB THR 41 HB THR 41 -2.971 -15.575 -8.142 359 HG1 THR 41 1HG THR 41 -4.714 -17.740 -7.708 360 1HG2 THR 41 2HG2 THR 41 -3.392 -17.013 -5.539 361 2HG2 THR 41 3HG2 THR 41 -2.075 -17.324 -6.703 362 3HG2 THR 41 1HG2 THR 41 -2.200 -15.754 -5.938 363 H LEU 42 H LEU 42 -3.106 -13.530 -6.299 364 HA LEU 42 HA LEU 42 -3.167 -14.143 -3.539 365 1HB LEU 42 1HB LEU 42 -1.953 -12.019 -5.278 366 2HB LEU 42 2HB LEU 42 -2.220 -11.544 -3.618 367 HG LEU 42 HG LEU 42 -0.985 -14.201 -3.660 368 1HD1 LEU 42 2HD1 LEU 42 0.365 -11.989 -5.236 369 2HD1 LEU 42 3HD1 LEU 42 1.277 -13.250 -4.396 370 3HD1 LEU 42 1HD1 LEU 42 0.141 -13.709 -5.655 371 1HD2 LEU 42 1HD2 LEU 42 -1.099 -12.542 -1.760 372 2HD2 LEU 42 2HD2 LEU 42 0.528 -13.149 -2.133 373 3HD2 LEU 42 3HD2 LEU 42 0.049 -11.520 -2.654 374 H VAL 43 H VAL 43 -4.747 -11.503 -5.381 375 HA VAL 43 HA VAL 43 -5.790 -10.278 -3.014 376 HB VAL 43 HB VAL 43 -6.799 -10.125 -5.889 377 1HG1 VAL 43 3HG1 VAL 43 -7.411 -8.659 -3.298 378 2HG1 VAL 43 1HG1 VAL 43 -7.824 -7.969 -4.888 379 3HG1 VAL 43 2HG1 VAL 43 -8.567 -9.491 -4.355 380 1HG2 VAL 43 1HG2 VAL 43 -4.454 -9.225 -5.523 381 2HG2 VAL 43 2HG2 VAL 43 -5.632 -7.977 -5.941 382 3HG2 VAL 43 3HG2 VAL 43 -5.100 -8.170 -4.256 383 H GLU 44 H GLU 44 -7.165 -12.719 -5.271 384 HA GLU 44 HA GLU 44 -9.695 -12.927 -3.955 385 1HB GLU 44 1HB GLU 44 -9.534 -13.772 -6.149 386 2HB GLU 44 2HB GLU 44 -8.029 -14.649 -5.820 387 1HG GLU 44 1HG GLU 44 -9.987 -16.109 -6.195 388 2HG GLU 44 2HG GLU 44 -9.147 -16.376 -4.666 389 H GLU 45 H GLU 45 -6.936 -15.239 -3.731 390 HA GLU 45 HA GLU 45 -7.987 -16.735 -1.624 391 1HB GLU 45 1HB GLU 45 -5.464 -16.521 -2.984 392 2HB GLU 45 2HB GLU 45 -5.169 -16.682 -1.260 393 1HG GLU 45 1HG GLU 45 -6.963 -18.545 -2.853 394 2HG GLU 45 2HG GLU 45 -5.257 -18.850 -2.484 395 H CYS 46 H CYS 46 -6.016 -13.769 -1.485 396 HA CYS 46 HA CYS 46 -5.736 -13.560 1.334 397 1HB CYS 46 1HB CYS 46 -4.629 -11.896 -0.194 398 2HB CYS 46 2HB CYS 46 -6.208 -11.310 -0.695 399 HG CYS 46 HG CYS 46 -5.157 -9.686 0.953 400 H ASN 47 H ASN 47 -8.296 -12.300 -0.837 401 HA ASN 47 HA ASN 47 -9.838 -10.994 1.183 402 1HB ASN 47 1HB ASN 47 -10.327 -11.955 -1.666 403 2HB ASN 47 2HB ASN 47 -11.683 -11.397 -0.735 404 1HD2 ASN 47 2HD2 ASN 47 -10.077 -8.533 -2.641 405 2HD2 ASN 47 1HD2 ASN 47 -10.649 -10.138 -3.118 406 H ARG 48 H ARG 48 -10.088 -14.180 -0.310 407 HA ARG 48 HA ARG 48 -12.331 -15.200 1.016 408 1HB ARG 48 1HB ARG 48 -10.927 -16.083 -0.939 409 2HB ARG 48 2HB ARG 48 -9.787 -16.707 0.255 410 1HG ARG 48 1HG ARG 48 -11.728 -18.025 1.249 411 2HG ARG 48 2HG ARG 48 -12.692 -17.517 -0.154 412 1HD ARG 48 1HD ARG 48 -10.043 -19.035 -0.180 413 2HD ARG 48 2HD ARG 48 -11.626 -19.730 -0.557 414 HE ARG 48 HE ARG 48 -11.372 -17.624 -2.390 415 1HH1 ARG 48 2HH2 ARG 48 -8.921 -20.002 -1.620 416 2HH1 ARG 48 1HH2 ARG 48 -8.718 -20.569 -3.221 417 1HH2 ARG 48 2HH1 ARG 48 -10.845 -17.971 -4.415 418 2HH2 ARG 48 1HH1 ARG 48 -9.723 -19.199 -4.970 419 H ALA 49 H ALA 49 -8.854 -15.536 1.886 420 HA ALA 49 HA ALA 49 -9.204 -16.771 4.382 421 1HB ALA 49 3HB ALA 49 -7.052 -16.622 3.193 422 2HB ALA 49 1HB ALA 49 -6.983 -14.874 3.510 423 3HB ALA 49 2HB ALA 49 -6.913 -16.027 4.861 424 H GLU 50 H GLU 50 -9.074 -13.292 3.591 425 HA GLU 50 HA GLU 50 -9.071 -12.356 6.294 426 1HB GLU 50 1HB GLU 50 -8.174 -11.111 4.418 427 2HB GLU 50 2HB GLU 50 -9.767 -10.971 3.691 428 1HG GLU 50 1HG GLU 50 -9.037 -8.894 4.671 429 2HG GLU 50 2HG GLU 50 -10.461 -9.467 5.526 430 H CYS 51 H CYS 51 -11.683 -13.138 3.948 431 HA CYS 51 HA CYS 51 -13.748 -12.210 5.747 432 1HB CYS 51 1HB CYS 51 -15.279 -12.767 4.319 433 2HB CYS 51 2HB CYS 51 -13.933 -12.784 3.139 434 HG CYS 51 HG CYS 51 -13.601 -15.306 3.157 435 H ILE 52 H ILE 52 -12.279 -15.430 5.133 436 HA ILE 52 HA ILE 52 -13.993 -16.882 6.875 437 HB ILE 52 HB ILE 52 -11.224 -17.392 5.741 438 1HG1 ILE 52 1HG1 ILE 52 -13.913 -18.747 5.214 439 2HG1 ILE 52 2HG1 ILE 52 -13.333 -17.366 4.284 440 1HG2 ILE 52 3HG2 ILE 52 -12.902 -19.270 7.460 441 2HG2 ILE 52 1HG2 ILE 52 -11.476 -19.763 6.523 442 3HG2 ILE 52 2HG2 ILE 52 -11.287 -18.634 7.852 443 1HD1 ILE 52 1HD1 ILE 52 -11.307 -18.653 3.616 444 2HD1 ILE 52 2HD1 ILE 52 -11.996 -20.091 4.405 445 3HD1 ILE 52 3HD1 ILE 52 -12.838 -19.347 3.042 446 H GLN 53 H GLN 53 -11.087 -15.030 7.372 447 HA GLN 53 HA GLN 53 -10.335 -15.628 9.956 448 1HB GLN 53 1HB GLN 53 -9.607 -13.786 8.158 449 2HB GLN 53 2HB GLN 53 -10.605 -12.741 9.151 450 1HG GLN 53 1HG GLN 53 -9.170 -13.404 11.117 451 2HG GLN 53 2HG GLN 53 -8.151 -14.331 9.997 452 1HE2 GLN 53 2HE2 GLN 53 -7.317 -11.281 8.032 453 2HE2 GLN 53 1HE2 GLN 53 -7.573 -12.998 7.918 454 H ARG 54 H ARG 54 -13.332 -13.895 8.963 455 HA ARG 54 HA ARG 54 -14.284 -14.107 11.753 456 1HB ARG 54 1HB ARG 54 -14.727 -11.708 9.914 457 2HB ARG 54 2HB ARG 54 -15.603 -12.071 11.367 458 1HG ARG 54 1HG ARG 54 -14.134 -10.394 11.969 459 2HG ARG 54 2HG ARG 54 -13.615 -11.865 12.783 460 1HD ARG 54 1HD ARG 54 -11.825 -10.301 11.878 461 2HD ARG 54 2HD ARG 54 -11.639 -12.006 11.478 462 HE ARG 54 HE ARG 54 -12.933 -11.261 9.297 463 1HH1 ARG 54 2HH2 ARG 54 -9.889 -10.011 10.649 464 2HH1 ARG 54 1HH2 ARG 54 -9.576 -9.092 9.218 465 1HH2 ARG 54 2HH1 ARG 54 -12.071 -10.365 7.392 466 2HH2 ARG 54 1HH1 ARG 54 -10.824 -9.164 7.505 467 H GLY 55 H GLY 55 -14.461 -15.972 9.600 468 1HA GLY 55 1HA GLY 55 -15.966 -17.278 8.534 469 2HA GLY 55 2HA GLY 55 -17.252 -16.464 9.425 470 H VAL 56 H VAL 56 -17.716 -14.180 8.557 471 HA VAL 56 HA VAL 56 -19.300 -13.429 7.131 472 HB VAL 56 HB VAL 56 -16.868 -13.585 5.350 473 1HG1 VAL 56 1HG1 VAL 56 -19.320 -11.772 5.070 474 2HG1 VAL 56 2HG1 VAL 56 -17.759 -11.375 4.341 475 3HG1 VAL 56 3HG1 VAL 56 -18.591 -12.801 3.810 476 1HG2 VAL 56 3HG2 VAL 56 -16.458 -12.393 7.478 477 2HG2 VAL 56 1HG2 VAL 56 -16.448 -11.262 6.120 478 3HG2 VAL 56 2HG2 VAL 56 -17.885 -11.368 7.162 479 H SER 57 H SER 57 -20.101 -13.665 4.691 480 HA SER 57 HA SER 57 -20.884 -16.390 4.059 481 1HB SER 57 1HB SER 57 -21.260 -13.683 3.139 482 2HB SER 57 2HB SER 57 -20.886 -14.753 1.765 483 HG SER 57 HG SER 57 -22.584 -16.136 2.460 484 HA PRO 58 HA PRO 58 -16.472 -16.771 2.579 485 1HB PRO 58 1HB PRO 58 -16.679 -19.213 1.279 486 2HB PRO 58 2HB PRO 58 -16.382 -18.998 3.027 487 1HG PRO 58 1HG PRO 58 -19.020 -19.538 1.655 488 2HG PRO 58 2HG PRO 58 -18.365 -20.310 3.129 489 1HD PRO 58 1HD PRO 58 -20.182 -18.317 3.276 490 2HD PRO 58 2HD PRO 58 -18.829 -18.377 4.445 491 H SER 59 H SER 59 -19.393 -17.414 0.654 492 HA SER 59 HA SER 59 -18.308 -16.787 -1.912 493 1HB SER 59 1HB SER 59 -20.928 -16.644 -2.273 494 2HB SER 59 2HB SER 59 -20.141 -18.187 -1.911 495 HG SER 59 HG SER 59 -21.968 -17.816 -0.554 496 H GLN 60 H GLN 60 -18.520 -14.589 0.583 497 HA GLN 60 HA GLN 60 -19.065 -12.360 -1.308 498 1HB GLN 60 1HB GLN 60 -20.325 -12.544 1.455 499 2HB GLN 60 2HB GLN 60 -20.392 -11.172 0.361 500 1HG GLN 60 1HG GLN 60 -21.560 -12.542 -1.346 501 2HG GLN 60 2HG GLN 60 -21.648 -13.897 -0.222 502 1HE2 GLN 60 2HE2 GLN 60 -24.321 -12.443 1.661 503 2HE2 GLN 60 1HE2 GLN 60 -23.146 -13.737 1.653 504 H ALA 61 H ALA 61 -16.592 -13.331 -0.658 505 HA ALA 61 HA ALA 61 -15.425 -12.040 1.572 506 1HB ALA 61 2HB ALA 61 -14.412 -13.945 0.371 507 2HB ALA 61 3HB ALA 61 -14.077 -12.887 -1.023 508 3HB ALA 61 1HB ALA 61 -13.304 -12.577 0.545 509 H GLN 62 H GLN 62 -16.832 -10.436 -0.970 510 HA GLN 62 HA GLN 62 -15.060 -8.166 -1.201 511 1HB GLN 62 1HB GLN 62 -17.903 -8.722 -1.877 512 2HB GLN 62 2HB GLN 62 -17.277 -7.071 -1.950 513 1HG GLN 62 1HG GLN 62 -17.187 -8.355 -4.134 514 2HG GLN 62 2HG GLN 62 -15.676 -7.600 -3.617 515 1HE2 GLN 62 2HE2 GLN 62 -13.909 -10.652 -3.473 516 2HE2 GLN 62 1HE2 GLN 62 -13.838 -8.910 -3.376 517 H GLY 63 H GLY 63 -17.339 -9.260 1.258 518 1HA GLY 63 1HA GLY 63 -18.313 -6.692 1.970 519 2HA GLY 63 2HA GLY 63 -18.508 -8.192 2.878 520 H LEU 64 H LEU 64 -15.173 -7.288 2.462 521 HA LEU 64 HA LEU 64 -15.038 -7.154 5.404 522 1HB LEU 64 1HB LEU 64 -12.969 -7.044 3.215 523 2HB LEU 64 2HB LEU 64 -12.547 -7.164 4.920 524 HG LEU 64 HG LEU 64 -13.049 -9.364 5.117 525 1HD1 LEU 64 1HD1 LEU 64 -14.874 -9.296 2.689 526 2HD1 LEU 64 2HD1 LEU 64 -14.428 -10.699 3.635 527 3HD1 LEU 64 3HD1 LEU 64 -15.393 -9.429 4.394 528 1HD2 LEU 64 2HD2 LEU 64 -11.284 -8.815 3.393 529 2HD2 LEU 64 3HD2 LEU 64 -12.071 -10.396 3.102 530 3HD2 LEU 64 1HD2 LEU 64 -12.518 -8.974 2.135 531 H GLY 65 H GLY 65 -15.916 -4.825 3.615 532 1HA GLY 65 1HA GLY 65 -15.859 -2.506 3.632 533 2HA GLY 65 2HA GLY 65 -15.670 -2.745 5.369 534 H SER 66 H SER 66 -13.503 -2.564 6.287 535 HA SER 66 HA SER 66 -11.827 -0.641 4.908 536 1HB SER 66 1HB SER 66 -12.196 -1.748 7.676 537 2HB SER 66 2HB SER 66 -10.546 -1.478 7.219 538 HG SER 66 HG SER 66 -12.610 0.426 7.447 539 H ASN 67 H ASN 67 -11.673 -4.113 5.761 540 HA ASN 67 HA ASN 67 -8.758 -4.150 5.209 541 1HB ASN 67 1HB ASN 67 -10.679 -6.183 6.388 542 2HB ASN 67 2HB ASN 67 -9.017 -6.559 5.919 543 1HD2 ASN 67 2HD2 ASN 67 -8.567 -5.835 9.408 544 2HD2 ASN 67 1HD2 ASN 67 -8.996 -7.114 8.258 545 H LEU 68 H LEU 68 -11.616 -4.679 3.389 546 HA LEU 68 HA LEU 68 -11.047 -6.822 1.822 547 1HB LEU 68 1HB LEU 68 -13.004 -5.362 1.445 548 2HB LEU 68 2HB LEU 68 -11.954 -4.092 0.791 549 HG LEU 68 HG LEU 68 -11.256 -5.758 -1.043 550 1HD1 LEU 68 3HD1 LEU 68 -13.547 -7.336 0.184 551 2HD1 LEU 68 1HD1 LEU 68 -12.781 -7.696 -1.389 552 3HD1 LEU 68 2HD1 LEU 68 -11.877 -7.852 0.111 553 1HD2 LEU 68 1HD2 LEU 68 -14.203 -5.088 -0.927 554 2HD2 LEU 68 2HD2 LEU 68 -12.892 -4.035 -1.531 555 3HD2 LEU 68 3HD2 LEU 68 -13.266 -5.551 -2.365 556 H VAL 69 H VAL 69 -9.535 -7.362 0.281 557 HA VAL 69 HA VAL 69 -7.275 -5.499 -0.187 558 HB VAL 69 HB VAL 69 -7.492 -8.504 -0.555 559 1HG1 VAL 69 3HG1 VAL 69 -5.790 -7.289 -2.050 560 2HG1 VAL 69 1HG1 VAL 69 -4.962 -6.866 -0.529 561 3HG1 VAL 69 2HG1 VAL 69 -5.189 -8.561 -0.975 562 1HG2 VAL 69 1HG2 VAL 69 -6.760 -6.635 1.685 563 2HG2 VAL 69 2HG2 VAL 69 -7.426 -8.264 1.761 564 3HG2 VAL 69 3HG2 VAL 69 -5.687 -7.982 1.479 565 H THR 70 H THR 70 -7.435 -4.320 -1.897 566 HA THR 70 HA THR 70 -8.747 -5.309 -4.380 567 HB THR 70 HB THR 70 -8.836 -2.974 -5.035 568 HG1 THR 70 1HG THR 70 -8.098 -1.370 -3.835 569 1HG2 THR 70 3HG2 THR 70 -10.709 -3.912 -3.690 570 2HG2 THR 70 1HG2 THR 70 -9.972 -3.263 -2.215 571 3HG2 THR 70 2HG2 THR 70 -10.527 -2.162 -3.491 572 H GLU 71 H GLU 71 -7.496 -4.625 -6.342 573 HA GLU 71 HA GLU 71 -5.046 -5.717 -6.689 574 1HB GLU 71 1HB GLU 71 -6.309 -3.227 -7.924 575 2HB GLU 71 2HB GLU 71 -4.789 -3.875 -8.519 576 1HG GLU 71 1HG GLU 71 -6.988 -5.916 -8.198 577 2HG GLU 71 2HG GLU 71 -7.182 -4.700 -9.490 578 H VAL 72 H VAL 72 -5.494 -2.256 -5.788 579 HA VAL 72 HA VAL 72 -2.734 -1.765 -5.938 580 HB VAL 72 HB VAL 72 -4.734 -0.085 -5.730 581 1HG1 VAL 72 1HG1 VAL 72 -5.405 -0.739 -3.377 582 2HG1 VAL 72 2HG1 VAL 72 -3.854 -0.090 -2.798 583 3HG1 VAL 72 3HG1 VAL 72 -5.022 0.985 -3.558 584 1HG2 VAL 72 1HG2 VAL 72 -2.352 0.485 -6.132 585 2HG2 VAL 72 2HG2 VAL 72 -3.166 1.701 -5.132 586 3HG2 VAL 72 3HG2 VAL 72 -2.071 0.522 -4.383 587 H ARG 73 H ARG 73 -4.491 -3.343 -3.299 588 HA ARG 73 HA ARG 73 -2.592 -2.721 -1.200 589 1HB ARG 73 1HB ARG 73 -4.510 -5.032 -1.666 590 2HB ARG 73 2HB ARG 73 -3.312 -5.079 -0.385 591 1HG ARG 73 1HG ARG 73 -5.324 -4.411 0.550 592 2HG ARG 73 2HG ARG 73 -4.165 -3.070 0.657 593 1HD ARG 73 1HD ARG 73 -5.299 -1.752 -0.810 594 2HD ARG 73 2HD ARG 73 -5.975 -3.127 -1.707 595 HE ARG 73 HE ARG 73 -7.221 -3.354 0.723 596 1HH1 ARG 73 2HH2 ARG 73 -7.248 -1.093 -1.896 597 2HH1 ARG 73 1HH2 ARG 73 -8.360 0.046 -1.217 598 1HH2 ARG 73 2HH1 ARG 73 -9.210 -2.494 1.218 599 2HH2 ARG 73 1HH1 ARG 73 -9.783 -0.999 0.521 600 H VAL 74 H VAL 74 -2.937 -5.507 -3.499 601 HA VAL 74 HA VAL 74 -0.598 -6.748 -2.499 602 HB VAL 74 HB VAL 74 -2.501 -7.843 -3.724 603 1HG1 VAL 74 3HG1 VAL 74 -0.934 -7.102 -6.221 604 2HG1 VAL 74 1HG1 VAL 74 -2.188 -8.342 -6.105 605 3HG1 VAL 74 2HG1 VAL 74 -2.618 -6.666 -5.817 606 1HG2 VAL 74 2HG2 VAL 74 -0.473 -9.025 -2.969 607 2HG2 VAL 74 3HG2 VAL 74 -1.014 -9.655 -4.535 608 3HG2 VAL 74 1HG2 VAL 74 0.356 -8.533 -4.461 609 H TYR 75 H TYR 75 -1.187 -4.707 -5.357 610 HA TYR 75 HA TYR 75 1.420 -4.658 -6.353 611 1HB TYR 75 1HB TYR 75 -0.874 -3.313 -7.088 612 2HB TYR 75 2HB TYR 75 -0.044 -2.010 -6.298 613 HD1 TYR 75 2HD TYR 75 0.705 -4.788 -8.711 614 HD2 TYR 75 1HD TYR 75 1.551 -0.729 -7.535 615 HE1 TYR 75 2HE TYR 75 2.396 -4.619 -10.505 616 HE2 TYR 75 1HE TYR 75 3.204 -0.545 -9.362 617 HH TYR 75 HH TYR 75 4.427 -1.730 -10.982 618 H ASN 76 H ASN 76 -0.001 -2.561 -3.933 619 HA ASN 76 HA ASN 76 2.174 -0.848 -3.393 620 1HB ASN 76 1HB ASN 76 -0.118 -0.350 -2.825 621 2HB ASN 76 2HB ASN 76 -0.183 -1.708 -1.678 622 1HD2 ASN 76 2HD2 ASN 76 0.027 1.368 0.257 623 2HD2 ASN 76 1HD2 ASN 76 -1.048 0.706 -0.915 624 H TRP 77 H TRP 77 1.183 -3.961 -1.831 625 HA TRP 77 HA TRP 77 3.246 -3.780 0.181 626 1HB TRP 77 1HB TRP 77 2.163 -5.487 1.089 627 2HB TRP 77 2HB TRP 77 1.062 -5.526 -0.287 628 HD1 TRP 77 HD TRP 77 1.360 -7.354 -2.057 629 HE1 TRP 77 1HE TRP 77 2.769 -9.456 -2.314 630 HE3 TRP 77 3HE TRP 77 4.222 -6.858 2.132 631 HZ2 TRP 77 2HZ TRP 77 4.736 -10.852 -0.787 632 HZ3 TRP 77 3HZ TRP 77 5.570 -8.789 2.887 633 HH2 TRP 77 HH TRP 77 5.979 -10.720 1.384 634 H PHE 78 H PHE 78 3.134 -5.638 -2.973 635 HA PHE 78 HA PHE 78 5.802 -6.586 -2.611 636 1HB PHE 78 1HB PHE 78 4.205 -6.111 -5.147 637 2HB PHE 78 2HB PHE 78 5.815 -6.819 -5.123 638 HD1 PHE 78 2HD PHE 78 6.136 -8.839 -3.332 639 HD2 PHE 78 1HD PHE 78 2.515 -7.742 -5.409 640 HE1 PHE 78 2HE PHE 78 5.370 -11.207 -3.294 641 HE2 PHE 78 1HE PHE 78 1.860 -10.137 -5.465 642 HZ PHE 78 HZ PHE 78 3.270 -11.843 -4.379 643 H ALA 79 H ALA 79 4.573 -3.669 -4.277 644 HA ALA 79 HA ALA 79 7.035 -2.521 -5.029 645 1HB ALA 79 1HB ALA 79 4.890 -1.635 -5.771 646 2HB ALA 79 2HB ALA 79 4.509 -1.117 -4.113 647 3HB ALA 79 3HB ALA 79 5.864 -0.380 -4.985 648 H ASN 80 H ASN 80 5.450 -2.751 -1.856 649 HA ASN 80 HA ASN 80 7.168 -0.836 -0.577 650 1HB ASN 80 1HB ASN 80 4.830 -1.614 0.245 651 2HB ASN 80 2HB ASN 80 5.675 -3.002 0.945 652 1HD2 ASN 80 2HD2 ASN 80 7.561 0.085 2.562 653 2HD2 ASN 80 1HD2 ASN 80 8.151 -1.112 1.456 654 H ARG 81 H ARG 81 7.051 -4.471 -0.622 655 HA ARG 81 HA ARG 81 9.351 -4.871 1.012 656 1HB ARG 81 1HB ARG 81 7.987 -6.491 -1.157 657 2HB ARG 81 2HB ARG 81 9.536 -7.017 -0.530 658 1HG ARG 81 1HG ARG 81 7.057 -6.564 1.179 659 2HG ARG 81 2HG ARG 81 7.605 -8.123 0.556 660 1HD ARG 81 1HD ARG 81 9.020 -6.377 2.607 661 2HD ARG 81 2HD ARG 81 8.299 -7.965 2.852 662 HE ARG 81 HE ARG 81 10.234 -8.339 0.862 663 1HH1 ARG 81 2HH2 ARG 81 10.711 -6.840 3.982 664 2HH1 ARG 81 1HH2 ARG 81 11.799 -8.072 4.580 665 1HH2 ARG 81 2HH1 ARG 81 12.177 -9.323 1.297 666 2HH2 ARG 81 1HH1 ARG 81 13.073 -8.857 2.733 667 H ARG 82 H ARG 82 9.057 -4.591 -2.577 668 HA ARG 82 HA ARG 82 11.856 -4.866 -2.945 669 1HB ARG 82 1HB ARG 82 11.538 -4.316 -5.207 670 2HB ARG 82 2HB ARG 82 10.159 -5.273 -4.659 671 1HG ARG 82 1HG ARG 82 9.035 -3.643 -5.833 672 2HG ARG 82 2HG ARG 82 9.085 -2.938 -4.216 673 1HD ARG 82 1HD ARG 82 11.380 -1.857 -5.151 674 2HD ARG 82 2HD ARG 82 10.651 -2.281 -6.704 675 HE ARG 82 HE ARG 82 8.824 -0.778 -5.014 676 1HH1 ARG 82 2HH2 ARG 82 11.831 -0.436 -6.842 677 2HH1 ARG 82 1HH2 ARG 82 11.329 1.007 -7.679 678 1HH2 ARG 82 2HH1 ARG 82 8.178 1.291 -6.134 679 2HH2 ARG 82 1HH1 ARG 82 9.397 2.179 -6.941 680 H LYS 83 H LYS 83 9.889 -1.896 -2.288 681 HA LYS 83 HA LYS 83 12.273 -0.296 -2.740 682 1HB LYS 83 1HB LYS 83 10.027 0.672 -3.152 683 2HB LYS 83 2HB LYS 83 9.678 0.541 -1.422 684 1HG LYS 83 1HG LYS 83 10.337 2.803 -1.956 685 2HG LYS 83 2HG LYS 83 11.545 2.088 -0.910 686 1HD LYS 83 1HD LYS 83 13.149 1.868 -2.625 687 2HD LYS 83 2HD LYS 83 11.960 2.133 -3.917 688 1HE LYS 83 1HE LYS 83 11.722 4.473 -3.297 689 2HE LYS 83 2HE LYS 83 12.708 4.260 -1.838 690 1HZ LYS 83 2HZ LYS 83 13.877 3.717 -4.480 691 2HZ LYS 83 3HZ LYS 83 13.749 5.259 -3.918 692 3HZ LYS 83 1HZ LYS 83 14.627 4.169 -3.094 693 H GLU 84 H GLU 84 10.755 -1.711 0.078 694 HA GLU 84 HA GLU 84 12.392 -0.626 2.140 695 1HB GLU 84 1HB GLU 84 10.341 -1.955 2.485 696 2HB GLU 84 2HB GLU 84 11.076 -3.326 1.670 697 1HG GLU 84 1HG GLU 84 12.781 -3.348 3.591 698 2HG GLU 84 2HG GLU 84 11.618 -2.275 4.422 699 H GLU 85 H GLU 85 12.769 -3.222 -0.230 700 HA GLU 85 HA GLU 85 15.241 -4.368 0.754 701 1HB GLU 85 1HB GLU 85 13.626 -5.593 -0.734 702 2HB GLU 85 2HB GLU 85 13.918 -4.414 -1.991 703 1HG GLU 85 1HG GLU 85 16.292 -5.186 -2.124 704 2HG GLU 85 2HG GLU 85 15.863 -6.475 -0.982 705 H ALA 86 H ALA 86 14.435 -2.271 -2.032 706 HA ALA 86 HA ALA 86 17.021 -1.637 -2.821 707 1HB ALA 86 2HB ALA 86 14.516 0.074 -2.983 708 2HB ALA 86 3HB ALA 86 15.995 0.327 -3.916 709 3HB ALA 86 1HB ALA 86 15.034 -1.147 -4.167 710 H PHE 87 H PHE 87 14.982 0.009 -0.408 711 HA PHE 87 HA PHE 87 16.566 2.313 0.014 712 1HB PHE 87 1HB PHE 87 14.137 1.860 0.923 713 2HB PHE 87 2HB PHE 87 14.890 0.999 2.245 714 HD1 PHE 87 2HD PHE 87 16.413 2.196 3.825 715 HD2 PHE 87 1HD PHE 87 14.029 4.209 0.827 716 HE1 PHE 87 2HE PHE 87 16.559 4.276 5.098 717 HE2 PHE 87 1HE PHE 87 13.982 6.233 2.253 718 HZ PHE 87 HZ PHE 87 15.358 6.316 4.329 719 H ARG 88 H ARG 88 16.286 -0.652 1.988 720 HA ARG 88 HA ARG 88 18.479 -0.218 3.694 721 1HB ARG 88 1HB ARG 88 16.882 -1.837 4.225 722 2HB ARG 88 2HB ARG 88 16.990 -2.652 2.655 723 1HG ARG 88 1HG ARG 88 18.964 -3.745 3.137 724 2HG ARG 88 2HG ARG 88 19.428 -2.610 4.432 725 1HD ARG 88 1HD ARG 88 16.901 -4.259 4.656 726 2HD ARG 88 2HD ARG 88 18.484 -4.936 5.090 727 HE ARG 88 HE ARG 88 18.194 -2.363 6.332 728 1HH1 ARG 88 2HH2 ARG 88 16.476 -5.400 6.597 729 2HH1 ARG 88 1HH2 ARG 88 17.002 -5.799 8.206 730 1HH2 ARG 88 2HH1 ARG 88 18.865 -2.741 8.579 731 2HH2 ARG 88 1HH1 ARG 88 18.426 -4.256 9.340 732 H HIS 89 H HIS 89 18.338 -1.973 0.602 733 HA HIS 89 HA HIS 89 21.053 -2.813 0.626 734 1HB HIS 89 1HB HIS 89 19.265 -3.910 -0.662 735 2HB HIS 89 2HB HIS 89 19.100 -2.474 -1.683 736 HD1 HIS 89 1HD HIS 89 22.503 -4.027 -0.686 737 HD2 HIS 89 2HD HIS 89 19.954 -3.391 -3.987 738 HE1 HIS 89 1HE HIS 89 23.829 -4.629 -2.743 739 H LYS 90 H LYS 90 19.595 0.267 -0.128 740 HA LYS 90 HA LYS 90 21.847 1.134 -1.781 741 1HB LYS 90 1HB LYS 90 19.538 1.904 -2.239 742 2HB LYS 90 2HB LYS 90 19.483 2.683 -0.662 743 1HG LYS 90 1HG LYS 90 19.809 4.288 -2.391 744 2HG LYS 90 2HG LYS 90 21.231 4.245 -1.392 745 1HD LYS 90 1HD LYS 90 21.825 2.399 -3.497 746 2HD LYS 90 2HD LYS 90 20.833 3.617 -4.263 747 1HE LYS 90 1HE LYS 90 23.177 4.210 -4.513 748 2HE LYS 90 2HE LYS 90 22.402 5.399 -3.481 749 1HZ LYS 90 2HZ LYS 90 24.099 3.161 -2.557 750 2HZ LYS 90 3HZ LYS 90 24.530 4.755 -2.709 751 3HZ LYS 90 1HZ LYS 90 23.430 4.342 -1.587 752 H LEU 91 H LEU 91 21.490 0.641 1.592 753 HA LEU 91 HA LEU 91 23.752 2.195 2.119 754 1HB LEU 91 1HB LEU 91 22.580 3.495 4.024 755 2HB LEU 91 2HB LEU 91 22.397 4.082 2.386 756 HG LEU 91 HG LEU 91 20.234 2.195 2.926 757 1HD1 LEU 91 3HD1 LEU 91 20.645 2.800 5.306 758 2HD1 LEU 91 1HD1 LEU 91 20.381 4.498 4.851 759 3HD1 LEU 91 2HD1 LEU 91 19.066 3.316 4.682 760 1HD2 LEU 91 3HD2 LEU 91 20.229 4.001 1.206 761 2HD2 LEU 91 1HD2 LEU 91 18.844 4.103 2.307 762 3HD2 LEU 91 2HD2 LEU 91 20.217 5.212 2.502 763 H ALA 92 H ALA 92 21.111 1.011 4.220 764 HA ALA 92 HA ALA 92 21.165 -0.240 6.094 765 1HB ALA 92 3HB ALA 92 21.562 -2.002 4.376 766 2HB ALA 92 1HB ALA 92 23.304 -1.841 4.652 767 3HB ALA 92 2HB ALA 92 22.245 -2.410 5.954 768 H MET 93 H MET 93 23.095 2.066 5.970 769 HA MET 93 HA MET 93 24.333 1.538 8.529 770 1HB MET 93 1HB MET 93 25.996 0.550 6.877 771 2HB MET 93 2HB MET 93 26.172 2.146 6.155 772 1HG MET 93 1HG MET 93 27.021 2.998 8.334 773 2HG MET 93 2HG MET 93 26.753 1.405 9.057 774 1HE MET 93 3HE MET 93 29.472 3.061 9.232 775 2HE MET 93 1HE MET 93 29.229 1.465 9.992 776 3HE MET 93 2HE MET 93 30.652 1.758 8.964 777 H ASP 94 H ASP 94 22.310 3.089 8.093 778 HA ASP 94 HA ASP 94 23.133 5.729 8.673 779 1HB ASP 94 1HB ASP 94 23.492 6.319 6.413 780 2HB ASP 94 2HB ASP 94 22.267 5.203 5.817 781 H THR 95 H THR 95 20.432 4.102 6.962 782 HA THR 95 HA THR 95 18.677 4.642 9.296 783 HB THR 95 HB THR 95 16.927 5.047 7.392 784 HG1 THR 95 1HG THR 95 19.275 6.004 6.100 785 1HG2 THR 95 2HG2 THR 95 17.588 6.772 9.045 786 2HG2 THR 95 3HG2 THR 95 18.979 7.199 8.037 787 3HG2 THR 95 1HG2 THR 95 17.339 7.459 7.429 788 H TYR 96 H TYR 96 16.852 3.264 9.408 789 HA TYR 96 HA TYR 96 17.542 0.521 8.720 790 1HB TYR 96 1HB TYR 96 16.584 1.241 10.878 791 2HB TYR 96 2HB TYR 96 15.084 1.686 10.068 792 HD1 TYR 96 1HD TYR 96 17.425 -1.300 10.219 793 HD2 TYR 96 2HD TYR 96 13.387 0.144 10.612 794 HE1 TYR 96 1HE TYR 96 16.631 -3.607 10.660 795 HE2 TYR 96 2HE TYR 96 12.613 -2.155 11.065 796 HH TYR 96 HH TYR 96 13.222 -4.376 11.280 797 H LYS 97 H LYS 97 15.341 -0.729 7.944 798 HA LYS 97 HA LYS 97 15.144 -0.100 5.208 799 1HB LYS 97 1HB LYS 97 13.741 -2.001 5.077 800 2HB LYS 97 2HB LYS 97 14.989 -2.314 6.268 801 1HG LYS 97 1HG LYS 97 13.218 -1.557 8.055 802 2HG LYS 97 2HG LYS 97 12.045 -1.780 6.742 803 1HD LYS 97 1HD LYS 97 13.032 -4.127 6.468 804 2HD LYS 97 2HD LYS 97 13.972 -3.842 7.934 805 1HE LYS 97 1HE LYS 97 12.035 -5.005 8.687 806 2HE LYS 97 2HE LYS 97 11.717 -3.328 9.123 807 1HZ LYS 97 1HZ LYS 97 10.735 -4.572 6.621 808 2HZ LYS 97 2HZ LYS 97 9.807 -4.469 7.940 809 3HZ LYS 97 3HZ LYS 97 10.312 -3.140 7.171 810 H LEU 98 H LEU 98 12.896 0.582 7.856 811 HA LEU 98 HA LEU 98 11.102 1.838 8.083 812 1HB LEU 98 1HB LEU 98 11.427 4.135 7.753 813 2HB LEU 98 2HB LEU 98 12.869 3.322 8.305 814 HG LEU 98 HG LEU 98 13.401 3.511 5.526 815 1HD1 LEU 98 2HD1 LEU 98 11.314 5.023 5.309 816 2HD1 LEU 98 3HD1 LEU 98 12.045 6.103 6.487 817 3HD1 LEU 98 1HD1 LEU 98 12.845 5.812 4.934 818 1HD2 LEU 98 1HD2 LEU 98 13.855 5.478 7.865 819 2HD2 LEU 98 2HD2 LEU 98 14.871 4.080 7.471 820 3HD2 LEU 98 3HD2 LEU 98 14.796 5.472 6.377 821 H ASN 99 H ASN 99 9.725 0.493 7.020 822 HA ASN 99 HA ASN 99 8.851 0.775 4.333 823 1HB ASN 99 2HB ASN 99 7.321 -0.177 6.798 824 2HB ASN 99 3HB ASN 99 6.787 -0.390 5.121 825 1HD2 ASN 99 2HD2 ASN 99 8.937 -3.133 4.537 826 2HD2 ASN 99 1HD2 ASN 99 7.680 -2.077 3.893 No H/Q in entry = 826 Start of MODEL 14 1 1H MET 0 2H MET 0 5.107 7.275 13.418 2 2H MET 0 3H MET 0 3.891 6.173 13.280 3 3H MET 0 1H MET 0 3.867 7.376 14.461 4 HA MET 0 HA MET 0 5.122 6.356 15.849 5 1HB MET 0 2HB MET 0 5.071 3.996 15.867 6 2HB MET 0 3HB MET 0 3.584 4.510 15.063 7 1HG MET 0 2HG MET 0 4.918 4.137 12.843 8 2HG MET 0 3HG MET 0 6.064 3.261 13.864 9 1HE MET 0 1HE MET 0 5.994 1.014 12.806 10 2HE MET 0 2HE MET 0 4.516 0.208 12.242 11 3HE MET 0 3HE MET 0 5.057 1.722 11.470 12 H ALA 1 H ALA 1 7.231 6.344 16.346 13 HA ALA 1 HA ALA 1 9.305 7.120 16.100 14 1HB ALA 1 2HB ALA 1 9.455 5.443 13.558 15 2HB ALA 1 3HB ALA 1 10.809 6.266 14.341 16 3HB ALA 1 1HB ALA 1 9.965 4.957 15.190 17 H ARG 2 H ARG 2 8.005 9.034 15.909 18 HA ARG 2 HA ARG 2 7.139 10.930 15.011 19 1HB ARG 2 1HB ARG 2 9.288 10.449 12.905 20 2HB ARG 2 2HB ARG 2 8.076 11.686 12.683 21 1HG ARG 2 1HG ARG 2 10.168 12.498 13.595 22 2HG ARG 2 2HG ARG 2 8.762 12.937 14.542 23 1HD ARG 2 1HD ARG 2 10.442 10.499 15.269 24 2HD ARG 2 2HD ARG 2 10.990 12.093 15.732 25 HE ARG 2 HE ARG 2 8.850 10.563 16.942 26 1HH1 ARG 2 2HH2 ARG 2 10.031 13.870 16.320 27 2HH1 ARG 2 1HH2 ARG 2 9.301 14.518 17.761 28 1HH2 ARG 2 2HH1 ARG 2 7.326 11.617 18.364 29 2HH2 ARG 2 1HH1 ARG 2 7.485 13.296 18.733 30 H ILE 3 H ILE 3 5.788 11.735 13.138 31 HA ILE 3 HA ILE 3 4.754 9.533 11.426 32 HB ILE 3 HB ILE 3 3.038 10.224 13.041 33 1HG1 ILE 3 1HG1 ILE 3 2.366 11.140 10.212 34 2HG1 ILE 3 2HG1 ILE 3 2.451 9.457 10.751 35 1HG2 ILE 3 3HG2 ILE 3 3.808 12.598 13.345 36 2HG2 ILE 3 1HG2 ILE 3 3.184 12.980 11.731 37 3HG2 ILE 3 2HG2 ILE 3 2.081 12.460 13.015 38 1HD1 ILE 3 3HD1 ILE 3 0.676 9.988 12.461 39 2HD1 ILE 3 1HD1 ILE 3 0.495 11.586 11.706 40 3HD1 ILE 3 2HD1 ILE 3 0.151 10.129 10.770 41 H ASP 4 H ASP 4 6.264 12.622 11.793 42 HA ASP 4 HA ASP 4 5.367 13.999 9.762 43 1HB ASP 4 1HB ASP 4 8.213 14.236 10.736 44 2HB ASP 4 2HB ASP 4 7.190 15.484 10.032 45 HA PRO 5 HA PRO 5 8.740 12.871 6.628 46 1HB PRO 5 1HB PRO 5 9.894 10.360 6.713 47 2HB PRO 5 2HB PRO 5 10.561 11.823 7.478 48 1HG PRO 5 1HG PRO 5 9.024 9.588 8.774 49 2HG PRO 5 2HG PRO 5 10.401 10.512 9.425 50 1HD PRO 5 1HD PRO 5 7.742 10.975 10.059 51 2HD PRO 5 2HD PRO 5 8.961 12.282 10.136 52 H THR 6 H THR 6 7.301 9.751 7.593 53 HA THR 6 HA THR 6 6.402 8.900 5.054 54 HB THR 6 HB THR 6 4.813 7.569 6.695 55 HG1 THR 6 1HG THR 6 5.422 7.775 8.842 56 1HG2 THR 6 2HG2 THR 6 7.851 7.414 6.999 57 2HG2 THR 6 3HG2 THR 6 6.695 6.150 7.468 58 3HG2 THR 6 1HG2 THR 6 6.875 6.589 5.764 59 H LYS 7 H LYS 7 4.871 10.715 7.659 60 HA LYS 7 HA LYS 7 2.828 11.583 7.976 61 1HB LYS 7 1HB LYS 7 1.992 13.199 6.227 62 2HB LYS 7 2HB LYS 7 3.551 13.473 7.007 63 1HG LYS 7 1HG LYS 7 4.680 12.463 4.994 64 2HG LYS 7 2HG LYS 7 3.127 12.470 4.170 65 1HD LYS 7 1HD LYS 7 3.238 14.735 3.829 66 2HD LYS 7 2HD LYS 7 3.877 15.087 5.436 67 1HE LYS 7 1HE LYS 7 5.560 13.762 3.261 68 2HE LYS 7 2HE LYS 7 5.464 15.514 3.462 69 1HZ LYS 7 2HZ LYS 7 6.290 13.754 5.692 70 2HZ LYS 7 3HZ LYS 7 7.341 14.286 4.573 71 3HZ LYS 7 1HZ LYS 7 6.567 15.368 5.500 72 H LYS 8 H LYS 8 2.325 9.416 8.125 73 HA LYS 8 HA LYS 8 1.299 7.469 7.734 74 1HB LYS 8 1HB LYS 8 -1.058 7.472 6.997 75 2HB LYS 8 2HB LYS 8 -0.709 8.640 8.254 76 1HG LYS 8 1HG LYS 8 -0.790 10.486 6.815 77 2HG LYS 8 2HG LYS 8 -0.759 9.498 5.347 78 1HD LYS 8 1HD LYS 8 -3.063 9.184 7.282 79 2HD LYS 8 2HD LYS 8 -2.927 10.634 6.290 80 1HE LYS 8 1HE LYS 8 -2.680 9.096 4.237 81 2HE LYS 8 2HE LYS 8 -3.245 7.780 5.291 82 1HZ LYS 8 3HZ LYS 8 -4.657 10.319 4.770 83 2HZ LYS 8 1HZ LYS 8 -5.032 8.931 4.020 84 3HZ LYS 8 2HZ LYS 8 -5.260 9.076 5.658 85 H GLY 9 H GLY 9 -0.434 7.055 5.243 86 1HA GLY 9 1HA GLY 9 1.378 7.264 3.007 87 2HA GLY 9 2HA GLY 9 1.292 5.607 3.651 88 H ARG 10 H ARG 10 -0.986 4.786 4.056 89 HA ARG 10 HA ARG 10 -3.196 6.292 2.953 90 1HB ARG 10 1HB ARG 10 -3.964 4.211 1.560 91 2HB ARG 10 2HB ARG 10 -3.028 5.510 0.860 92 1HG ARG 10 1HG ARG 10 -1.420 3.217 1.913 93 2HG ARG 10 2HG ARG 10 -2.469 2.870 0.545 94 1HD ARG 10 1HD ARG 10 -1.560 4.531 -0.857 95 2HD ARG 10 2HD ARG 10 -0.638 5.308 0.407 96 HE ARG 10 HE ARG 10 0.237 3.210 -1.282 97 1HH1 ARG 10 2HH2 ARG 10 0.367 4.140 2.060 98 2HH1 ARG 10 1HH2 ARG 10 1.972 3.541 2.378 99 1HH2 ARG 10 2HH1 ARG 10 2.349 2.518 -1.040 100 2HH2 ARG 10 1HH1 ARG 10 3.250 2.763 0.422 101 H ARG 11 H ARG 11 -2.011 3.332 4.579 102 HA ARG 11 HA ARG 11 -4.549 2.288 4.997 103 1HB ARG 11 1HB ARG 11 -2.276 1.141 5.375 104 2HB ARG 11 2HB ARG 11 -2.282 1.927 6.960 105 1HG ARG 11 1HG ARG 11 -4.692 0.786 7.178 106 2HG ARG 11 2HG ARG 11 -4.178 -0.145 5.783 107 1HD ARG 11 1HD ARG 11 -3.756 -1.351 7.881 108 2HD ARG 11 2HD ARG 11 -2.238 -0.946 7.075 109 HE ARG 11 HE ARG 11 -1.601 0.202 8.929 110 1HH1 ARG 11 2HH2 ARG 11 -5.143 -0.270 9.167 111 2HH1 ARG 11 1HH2 ARG 11 -5.264 0.811 10.559 112 1HH2 ARG 11 2HH1 ARG 11 -1.890 1.675 10.721 113 2HH2 ARG 11 1HH1 ARG 11 -3.439 1.854 11.479 114 H ASN 12 H ASN 12 -5.971 2.362 6.670 115 HA ASN 12 HA ASN 12 -5.353 3.181 9.275 116 1HB ASN 12 1HB ASN 12 -5.756 5.519 8.215 117 2HB ASN 12 2HB ASN 12 -7.455 5.053 8.109 118 1HD2 ASN 12 2HD2 ASN 12 -7.981 5.245 11.670 119 2HD2 ASN 12 1HD2 ASN 12 -8.610 4.642 10.150 120 H ARG 13 H ARG 13 -7.715 2.449 6.829 121 HA ARG 13 HA ARG 13 -9.831 1.756 8.770 122 1HB ARG 13 1HB ARG 13 -11.307 1.714 6.906 123 2HB ARG 13 2HB ARG 13 -10.328 3.167 6.885 124 1HG ARG 13 1HG ARG 13 -8.846 1.780 5.127 125 2HG ARG 13 2HG ARG 13 -10.355 0.861 4.954 126 1HD ARG 13 1HD ARG 13 -9.750 3.787 4.464 127 2HD ARG 13 2HD ARG 13 -10.348 2.600 3.293 128 HE ARG 13 HE ARG 13 -12.493 2.559 4.719 129 1HH1 ARG 13 2HH2 ARG 13 -10.677 5.463 3.845 130 2HH1 ARG 13 1HH2 ARG 13 -11.859 6.568 4.482 131 1HH2 ARG 13 2HH1 ARG 13 -14.090 3.910 5.282 132 2HH2 ARG 13 1HH1 ARG 13 -14.013 5.652 5.129 133 H PHE 14 H PHE 14 -8.062 0.353 6.112 134 HA PHE 14 HA PHE 14 -8.704 -2.399 6.504 135 1HB PHE 14 1HB PHE 14 -8.136 -1.444 4.348 136 2HB PHE 14 2HB PHE 14 -6.612 -0.806 4.957 137 HD1 PHE 14 1HD PHE 14 -4.664 -2.322 5.406 138 HD2 PHE 14 2HD PHE 14 -8.361 -3.773 3.716 139 HE1 PHE 14 1HE PHE 14 -3.455 -4.180 4.336 140 HE2 PHE 14 2HE PHE 14 -7.165 -5.721 2.801 141 HZ PHE 14 HZ PHE 14 -4.675 -5.691 2.749 142 H LYS 15 H LYS 15 -7.240 -4.076 7.124 143 HA LYS 15 HA LYS 15 -4.638 -3.632 8.247 144 1HB LYS 15 1HB LYS 15 -5.289 -4.697 10.456 145 2HB LYS 15 2HB LYS 15 -5.734 -3.009 10.192 146 1HG LYS 15 1HG LYS 15 -7.922 -4.825 9.396 147 2HG LYS 15 2HG LYS 15 -7.452 -5.049 11.075 148 1HD LYS 15 1HD LYS 15 -7.831 -2.757 11.625 149 2HD LYS 15 2HD LYS 15 -7.920 -2.271 9.928 150 1HE LYS 15 1HE LYS 15 -9.996 -3.599 9.623 151 2HE LYS 15 2HE LYS 15 -9.943 -4.068 11.331 152 1HZ LYS 15 1HZ LYS 15 -10.143 -1.285 10.338 153 2HZ LYS 15 2HZ LYS 15 -11.408 -2.196 10.892 154 3HZ LYS 15 3HZ LYS 15 -10.190 -1.775 11.918 155 H TRP 16 H TRP 16 -3.616 -5.292 7.174 156 HA TRP 16 HA TRP 16 -4.885 -7.697 6.260 157 1HB TRP 16 1HB TRP 16 -1.973 -7.366 7.063 158 2HB TRP 16 2HB TRP 16 -2.654 -8.529 5.948 159 HD1 TRP 16 HD TRP 16 -0.987 -5.255 6.176 160 HE1 TRP 16 1HE TRP 16 -0.266 -4.505 3.854 161 HE3 TRP 16 3HE TRP 16 -3.808 -8.468 3.393 162 HZ2 TRP 16 2HZ TRP 16 -0.797 -5.249 1.111 163 HZ3 TRP 16 3HZ TRP 16 -3.207 -8.807 0.989 164 HH2 TRP 16 HH TRP 16 -1.968 -7.004 -0.199 165 H GLY 17 H GLY 17 -5.383 -9.620 7.520 166 1HA GLY 17 1HA GLY 17 -4.664 -9.647 10.355 167 2HA GLY 17 2HA GLY 17 -5.565 -10.844 9.435 168 HA PRO 18 HA PRO 18 -1.182 -12.313 10.356 169 1HB PRO 18 1HB PRO 18 -1.800 -14.710 11.526 170 2HB PRO 18 2HB PRO 18 -1.671 -13.163 12.393 171 1HG PRO 18 1HG PRO 18 -4.194 -14.492 11.397 172 2HG PRO 18 2HG PRO 18 -3.872 -13.748 12.990 173 1HD PRO 18 1HD PRO 18 -5.198 -12.401 11.047 174 2HD PRO 18 2HD PRO 18 -4.026 -11.554 12.101 175 H ALA 19 H ALA 19 -3.854 -14.264 9.261 176 HA ALA 19 HA ALA 19 -2.298 -16.110 7.708 177 1HB ALA 19 3HB ALA 19 -5.254 -15.398 7.602 178 2HB ALA 19 1HB ALA 19 -4.497 -16.693 6.656 179 3HB ALA 19 2HB ALA 19 -4.489 -16.768 8.426 180 H SER 20 H SER 20 -4.329 -13.310 6.685 181 HA SER 20 HA SER 20 -3.640 -13.179 4.094 182 1HB SER 20 1HB SER 20 -5.164 -11.614 5.346 183 2HB SER 20 2HB SER 20 -3.748 -10.684 5.834 184 HG SER 20 HG SER 20 -3.358 -10.483 3.504 185 H GLN 21 H GLN 21 -1.492 -11.819 6.714 186 HA GLN 21 HA GLN 21 0.497 -10.940 4.755 187 1HB GLN 21 1HB GLN 21 0.915 -11.631 7.681 188 2HB GLN 21 2HB GLN 21 2.076 -10.832 6.618 189 1HG GLN 21 1HG GLN 21 -0.591 -9.681 7.477 190 2HG GLN 21 2HG GLN 21 1.000 -9.266 8.143 191 1HE2 GLN 21 2HE2 GLN 21 0.055 -7.834 4.415 192 2HE2 GLN 21 1HE2 GLN 21 -0.637 -9.365 4.914 193 H GLN 22 H GLN 22 0.095 -13.954 6.654 194 HA GLN 22 HA GLN 22 2.450 -15.246 5.783 195 1HB GLN 22 1HB GLN 22 0.911 -16.072 7.505 196 2HB GLN 22 2HB GLN 22 -0.294 -16.498 6.288 197 1HG GLN 22 1HG GLN 22 0.994 -18.224 5.372 198 2HG GLN 22 2HG GLN 22 2.492 -17.592 6.071 199 1HE2 GLN 22 2HE2 GLN 22 0.721 -20.453 8.144 200 2HE2 GLN 22 1HE2 GLN 22 0.266 -20.109 6.490 201 H ILE 23 H ILE 23 -0.724 -15.013 4.159 202 HA ILE 23 HA ILE 23 0.074 -16.413 1.823 203 HB ILE 23 HB ILE 23 -2.230 -14.670 2.625 204 1HG1 ILE 23 1HG1 ILE 23 -1.952 -17.448 1.401 205 2HG1 ILE 23 2HG1 ILE 23 -1.930 -17.120 3.150 206 1HG2 ILE 23 1HG2 ILE 23 -1.769 -15.551 -0.257 207 2HG2 ILE 23 2HG2 ILE 23 -3.251 -14.812 0.401 208 3HG2 ILE 23 3HG2 ILE 23 -1.767 -13.887 0.362 209 1HD1 ILE 23 2HD1 ILE 23 -4.207 -16.244 2.994 210 2HD1 ILE 23 3HD1 ILE 23 -4.222 -16.609 1.241 211 3HD1 ILE 23 1HD1 ILE 23 -4.075 -17.927 2.412 212 H LEU 24 H LEU 24 0.185 -12.854 2.486 213 HA LEU 24 HA LEU 24 1.193 -12.183 -0.103 214 1HB LEU 24 1HB LEU 24 1.551 -11.021 2.666 215 2HB LEU 24 2HB LEU 24 2.549 -10.438 1.342 216 HG LEU 24 HG LEU 24 -0.459 -10.471 1.088 217 1HD1 LEU 24 1HD1 LEU 24 1.251 -8.790 2.772 218 2HD1 LEU 24 2HD1 LEU 24 0.466 -7.827 1.521 219 3HD1 LEU 24 3HD1 LEU 24 -0.514 -8.839 2.606 220 1HD2 LEU 24 2HD2 LEU 24 0.955 -10.250 -0.974 221 2HD2 LEU 24 3HD2 LEU 24 0.021 -8.781 -0.641 222 3HD2 LEU 24 1HD2 LEU 24 1.752 -8.844 -0.269 223 H PHE 25 H PHE 25 2.965 -13.292 2.812 224 HA PHE 25 HA PHE 25 5.517 -13.295 1.517 225 1HB PHE 25 1HB PHE 25 4.501 -14.876 3.886 226 2HB PHE 25 2HB PHE 25 6.140 -14.955 3.276 227 HD1 PHE 25 1HD PHE 25 7.681 -13.022 3.400 228 HD2 PHE 25 2HD PHE 25 3.875 -13.029 5.342 229 HE1 PHE 25 1HE PHE 25 8.396 -11.153 4.856 230 HE2 PHE 25 2HE PHE 25 4.498 -11.028 6.641 231 HZ PHE 25 HZ PHE 25 6.771 -10.044 6.365 232 H GLN 26 H GLN 26 2.943 -15.830 1.664 233 HA GLN 26 HA GLN 26 4.550 -17.809 0.403 234 1HB GLN 26 1HB GLN 26 2.792 -19.204 0.535 235 2HB GLN 26 2HB GLN 26 2.218 -17.948 1.623 236 1HG GLN 26 1HG GLN 26 0.836 -17.061 -0.327 237 2HG GLN 26 2HG GLN 26 1.393 -18.475 -1.219 238 1HE2 GLN 26 2HE2 GLN 26 -1.551 -20.051 0.097 239 2HE2 GLN 26 1HE2 GLN 26 -0.799 -19.380 -1.345 240 H ALA 27 H ALA 27 2.445 -15.250 -0.943 241 HA ALA 27 HA ALA 27 2.738 -15.884 -3.700 242 1HB ALA 27 3HB ALA 27 1.125 -14.279 -2.910 243 2HB ALA 27 1HB ALA 27 2.425 -13.165 -2.422 244 3HB ALA 27 2HB ALA 27 2.202 -13.580 -4.134 245 H TYR 28 H TYR 28 4.708 -13.838 -1.493 246 HA TYR 28 HA TYR 28 6.678 -13.212 -3.430 247 1HB TYR 28 1HB TYR 28 6.249 -12.622 -0.693 248 2HB TYR 28 2HB TYR 28 7.805 -13.429 -0.724 249 HD1 TYR 28 2HD TYR 28 5.913 -10.994 -2.830 250 HD2 TYR 28 1HD TYR 28 9.648 -11.892 -0.913 251 HE1 TYR 28 2HE TYR 28 6.825 -8.806 -3.578 252 HE2 TYR 28 1HE TYR 28 10.612 -9.809 -1.811 253 HH TYR 28 HH TYR 28 10.251 -7.980 -3.220 254 H GLU 29 H GLU 29 6.176 -16.201 -1.689 255 HA GLU 29 HA GLU 29 8.855 -17.196 -2.267 256 1HB GLU 29 1HB GLU 29 8.324 -18.800 -0.892 257 2HB GLU 29 2HB GLU 29 6.752 -18.072 -0.621 258 1HG GLU 29 1HG GLU 29 5.740 -19.484 -2.344 259 2HG GLU 29 2HG GLU 29 7.330 -20.117 -2.818 260 H ARG 30 H ARG 30 5.571 -17.611 -3.703 261 HA ARG 30 HA ARG 30 6.648 -19.356 -5.678 262 1HB ARG 30 1HB ARG 30 4.478 -19.212 -6.843 263 2HB ARG 30 2HB ARG 30 4.380 -19.704 -5.153 264 1HG ARG 30 1HG ARG 30 3.368 -17.759 -4.466 265 2HG ARG 30 2HG ARG 30 3.977 -16.795 -5.823 266 1HD ARG 30 1HD ARG 30 1.693 -16.973 -6.195 267 2HD ARG 30 2HD ARG 30 2.485 -18.032 -7.378 268 HE ARG 30 HE ARG 30 1.745 -19.553 -5.025 269 1HH1 ARG 30 2HH2 ARG 30 0.259 -17.916 -7.777 270 2HH1 ARG 30 1HH2 ARG 30 -1.166 -18.907 -7.798 271 1HH2 ARG 30 2HH1 ARG 30 -0.033 -20.785 -4.953 272 2HH2 ARG 30 1HH1 ARG 30 -1.371 -20.654 -6.086 273 H GLN 31 H GLN 31 5.930 -15.867 -5.776 274 HA GLN 31 HA GLN 31 7.513 -15.616 -8.233 275 1HB GLN 31 1HB GLN 31 4.737 -15.870 -8.429 276 2HB GLN 31 2HB GLN 31 4.966 -14.118 -8.468 277 1HG GLN 31 1HG GLN 31 6.565 -14.383 -10.347 278 2HG GLN 31 2HG GLN 31 6.510 -16.138 -10.163 279 1HE2 GLN 31 2HE2 GLN 31 2.859 -14.963 -11.438 280 2HE2 GLN 31 1HE2 GLN 31 3.468 -14.158 -10.012 281 H LYS 32 H LYS 32 8.963 -14.783 -6.767 282 HA LYS 32 HA LYS 32 8.449 -12.803 -4.871 283 1HB LYS 32 1HB LYS 32 10.379 -14.427 -5.129 284 2HB LYS 32 2HB LYS 32 11.071 -13.367 -6.361 285 1HG LYS 32 1HG LYS 32 11.726 -11.765 -4.780 286 2HG LYS 32 2HG LYS 32 10.371 -12.148 -3.710 287 1HD LYS 32 1HD LYS 32 12.416 -12.895 -2.669 288 2HD LYS 32 2HD LYS 32 11.353 -14.244 -3.041 289 1HE LYS 32 1HE LYS 32 12.757 -14.716 -5.110 290 2HE LYS 32 2HE LYS 32 13.839 -13.396 -4.629 291 1HZ LYS 32 3HZ LYS 32 13.320 -15.843 -3.062 292 2HZ LYS 32 1HZ LYS 32 14.655 -15.557 -3.984 293 3HZ LYS 32 2HZ LYS 32 14.367 -14.654 -2.642 294 H ASN 33 H ASN 33 8.904 -12.512 -8.304 295 HA ASN 33 HA ASN 33 8.273 -9.632 -8.035 296 1HB ASN 33 1HB ASN 33 10.126 -10.917 -10.012 297 2HB ASN 33 2HB ASN 33 9.105 -9.569 -10.515 298 1HD2 ASN 33 2HD2 ASN 33 11.632 -8.584 -7.400 299 2HD2 ASN 33 1HD2 ASN 33 10.535 -9.935 -7.237 300 HA PRO 34 HA PRO 34 4.859 -11.848 -9.267 301 1HB PRO 34 1HB PRO 34 2.891 -9.943 -9.469 302 2HB PRO 34 2HB PRO 34 3.752 -10.288 -7.949 303 1HG PRO 34 1HG PRO 34 4.341 -8.072 -9.937 304 2HG PRO 34 2HG PRO 34 4.232 -7.962 -8.150 305 1HD PRO 34 1HD PRO 34 6.629 -8.198 -9.459 306 2HD PRO 34 2HD PRO 34 6.309 -8.884 -7.843 307 H SER 35 H SER 35 3.210 -12.305 -10.944 308 HA SER 35 HA SER 35 3.881 -11.148 -13.664 309 1HB SER 35 1HB SER 35 4.102 -13.580 -13.579 310 2HB SER 35 2HB SER 35 2.446 -13.737 -12.969 311 HG SER 35 HG SER 35 2.577 -13.995 -15.260 312 H LYS 36 H LYS 36 0.817 -12.603 -13.390 313 HA LYS 36 HA LYS 36 -0.558 -10.151 -12.423 314 1HB LYS 36 1HB LYS 36 -0.441 -9.981 -14.897 315 2HB LYS 36 2HB LYS 36 -1.172 -11.588 -15.045 316 1HG LYS 36 1HG LYS 36 -3.162 -10.734 -13.707 317 2HG LYS 36 2HG LYS 36 -2.430 -9.122 -13.760 318 1HD LYS 36 1HD LYS 36 -2.756 -9.006 -16.155 319 2HD LYS 36 2HD LYS 36 -3.063 -10.741 -16.276 320 1HE LYS 36 1HE LYS 36 -5.177 -9.307 -16.372 321 2HE LYS 36 2HE LYS 36 -5.182 -10.576 -15.139 322 1HZ LYS 36 3HZ LYS 36 -4.595 -8.966 -13.492 323 2HZ LYS 36 1HZ LYS 36 -4.590 -7.727 -14.584 324 3HZ LYS 36 2HZ LYS 36 -5.969 -8.569 -14.139 325 H GLU 37 H GLU 37 -1.201 -13.452 -13.781 326 HA GLU 37 HA GLU 37 -3.581 -14.094 -12.727 327 1HB GLU 37 1HB GLU 37 -1.077 -15.343 -13.755 328 2HB GLU 37 2HB GLU 37 -1.789 -16.332 -12.540 329 1HG GLU 37 1HG GLU 37 -3.848 -16.557 -13.763 330 2HG GLU 37 2HG GLU 37 -3.312 -15.344 -14.957 331 H GLU 38 H GLU 38 -0.507 -14.972 -11.330 332 HA GLU 38 HA GLU 38 -0.945 -15.822 -8.774 333 1HB GLU 38 1HB GLU 38 1.272 -15.783 -9.678 334 2HB GLU 38 2HB GLU 38 1.091 -14.124 -10.150 335 1HG GLU 38 1HG GLU 38 1.037 -14.496 -7.182 336 2HG GLU 38 2HG GLU 38 2.537 -14.981 -7.973 337 H ARG 39 H ARG 39 -0.871 -12.358 -9.802 338 HA ARG 39 HA ARG 39 -1.144 -11.532 -7.074 339 1HB ARG 39 1HB ARG 39 0.177 -10.229 -8.604 340 2HB ARG 39 2HB ARG 39 -1.202 -9.925 -9.673 341 1HG ARG 39 1HG ARG 39 -2.154 -8.348 -8.262 342 2HG ARG 39 2HG ARG 39 -1.554 -9.154 -6.808 343 1HD ARG 39 1HD ARG 39 -0.417 -7.052 -7.011 344 2HD ARG 39 2HD ARG 39 0.714 -8.413 -7.231 345 HE ARG 39 HE ARG 39 -0.312 -7.422 -9.764 346 1HH1 ARG 39 2HH2 ARG 39 2.095 -6.906 -7.245 347 2HH1 ARG 39 1HH2 ARG 39 3.127 -5.863 -8.181 348 1HH2 ARG 39 2HH1 ARG 39 1.039 -5.956 -11.070 349 2HH2 ARG 39 1HH1 ARG 39 2.659 -5.638 -10.501 350 H GLU 40 H GLU 40 -3.317 -11.570 -9.930 351 HA GLU 40 HA GLU 40 -5.640 -10.500 -8.782 352 1HB GLU 40 1HB GLU 40 -4.937 -12.004 -11.133 353 2HB GLU 40 2HB GLU 40 -6.323 -12.794 -10.399 354 1HG GLU 40 1HG GLU 40 -7.384 -11.334 -11.760 355 2HG GLU 40 2HG GLU 40 -7.360 -10.367 -10.292 356 H THR 41 H THR 41 -4.559 -13.866 -8.928 357 HA THR 41 HA THR 41 -6.302 -15.183 -7.229 358 HB THR 41 HB THR 41 -3.435 -15.462 -8.005 359 HG1 THR 41 1HG THR 41 -4.993 -16.211 -9.380 360 1HG2 THR 41 3HG2 THR 41 -4.651 -17.136 -5.821 361 2HG2 THR 41 1HG2 THR 41 -3.241 -17.623 -6.802 362 3HG2 THR 41 2HG2 THR 41 -3.141 -16.198 -5.777 363 H LEU 42 H LEU 42 -3.209 -13.505 -6.328 364 HA LEU 42 HA LEU 42 -3.268 -14.261 -3.640 365 1HB LEU 42 1HB LEU 42 -1.228 -13.487 -4.525 366 2HB LEU 42 2HB LEU 42 -1.998 -12.057 -5.219 367 HG LEU 42 HG LEU 42 -2.294 -11.019 -3.104 368 1HD1 LEU 42 3HD1 LEU 42 -0.754 -13.391 -1.931 369 2HD1 LEU 42 1HD1 LEU 42 -1.173 -11.895 -1.071 370 3HD1 LEU 42 2HD1 LEU 42 -2.446 -13.002 -1.605 371 1HD2 LEU 42 3HD2 LEU 42 -0.173 -10.856 -4.532 372 2HD2 LEU 42 1HD2 LEU 42 -0.081 -10.355 -2.831 373 3HD2 LEU 42 2HD2 LEU 42 0.587 -11.913 -3.339 374 H VAL 43 H VAL 43 -4.563 -11.276 -5.208 375 HA VAL 43 HA VAL 43 -5.539 -10.073 -2.816 376 HB VAL 43 HB VAL 43 -6.715 -10.004 -5.633 377 1HG1 VAL 43 1HG1 VAL 43 -7.200 -8.255 -3.173 378 2HG1 VAL 43 2HG1 VAL 43 -7.794 -7.892 -4.807 379 3HG1 VAL 43 3HG1 VAL 43 -8.402 -9.307 -3.942 380 1HG2 VAL 43 2HG2 VAL 43 -4.354 -9.111 -5.406 381 2HG2 VAL 43 3HG2 VAL 43 -5.579 -7.939 -5.889 382 3HG2 VAL 43 1HG2 VAL 43 -4.979 -7.950 -4.214 383 H GLU 44 H GLU 44 -7.026 -12.450 -5.022 384 HA GLU 44 HA GLU 44 -9.529 -12.667 -3.778 385 1HB GLU 44 1HB GLU 44 -8.106 -13.926 -5.918 386 2HB GLU 44 2HB GLU 44 -8.530 -15.218 -4.820 387 1HG GLU 44 1HG GLU 44 -10.372 -13.292 -6.262 388 2HG GLU 44 2HG GLU 44 -10.237 -15.041 -6.434 389 H GLU 45 H GLU 45 -6.687 -14.720 -3.378 390 HA GLU 45 HA GLU 45 -7.786 -16.422 -1.469 391 1HB GLU 45 1HB GLU 45 -5.698 -16.573 -3.089 392 2HB GLU 45 2HB GLU 45 -4.795 -15.862 -1.748 393 1HG GLU 45 1HG GLU 45 -4.632 -18.341 -1.875 394 2HG GLU 45 2HG GLU 45 -5.387 -17.828 -0.366 395 H CYS 46 H CYS 46 -5.848 -13.484 -1.156 396 HA CYS 46 HA CYS 46 -5.523 -13.482 1.706 397 1HB CYS 46 1HB CYS 46 -5.383 -11.380 -0.463 398 2HB CYS 46 2HB CYS 46 -5.658 -10.841 1.197 399 HG CYS 46 HG CYS 46 -3.716 -12.116 2.279 400 H ASN 47 H ASN 47 -7.963 -11.966 -0.448 401 HA ASN 47 HA ASN 47 -9.646 -10.885 1.544 402 1HB ASN 47 1HB ASN 47 -10.006 -11.707 -1.342 403 2HB ASN 47 2HB ASN 47 -11.467 -11.606 -0.395 404 1HD2 ASN 47 2HD2 ASN 47 -10.405 -8.283 -2.017 405 2HD2 ASN 47 1HD2 ASN 47 -10.639 -9.908 -2.671 406 H ARG 48 H ARG 48 -9.807 -14.139 0.006 407 HA ARG 48 HA ARG 48 -12.070 -14.928 1.462 408 1HB ARG 48 1HB ARG 48 -10.379 -15.995 -0.552 409 2HB ARG 48 2HB ARG 48 -10.382 -17.173 0.748 410 1HG ARG 48 1HG ARG 48 -12.911 -17.110 0.749 411 2HG ARG 48 2HG ARG 48 -12.853 -15.917 -0.557 412 1HD ARG 48 1HD ARG 48 -11.933 -18.810 -0.677 413 2HD ARG 48 2HD ARG 48 -13.304 -18.079 -1.521 414 HE ARG 48 HE ARG 48 -11.748 -16.696 -2.858 415 1HH1 ARG 48 2HH2 ARG 48 -10.073 -19.350 -1.074 416 2HH1 ARG 48 1HH2 ARG 48 -8.796 -19.319 -2.236 417 1HH2 ARG 48 2HH1 ARG 48 -9.973 -16.649 -4.079 418 2HH2 ARG 48 1HH1 ARG 48 -8.585 -17.742 -3.730 419 H ALA 49 H ALA 49 -8.575 -15.568 2.141 420 HA ALA 49 HA ALA 49 -8.919 -17.021 4.539 421 1HB ALA 49 2HB ALA 49 -6.758 -16.716 3.392 422 2HB ALA 49 3HB ALA 49 -6.747 -15.003 3.844 423 3HB ALA 49 1HB ALA 49 -6.657 -16.253 5.101 424 H GLU 50 H GLU 50 -8.824 -13.514 3.972 425 HA GLU 50 HA GLU 50 -9.065 -12.787 6.757 426 1HB GLU 50 1HB GLU 50 -7.909 -11.568 4.783 427 2HB GLU 50 2HB GLU 50 -9.520 -11.061 4.300 428 1HG GLU 50 1HG GLU 50 -8.336 -9.319 5.512 429 2HG GLU 50 2HG GLU 50 -9.758 -9.872 6.380 430 H CYS 51 H CYS 51 -11.317 -13.610 4.209 431 HA CYS 51 HA CYS 51 -13.687 -12.685 5.573 432 1HB CYS 51 1HB CYS 51 -14.677 -13.128 3.657 433 2HB CYS 51 2HB CYS 51 -13.147 -13.685 3.036 434 HG CYS 51 HG CYS 51 -15.530 -15.380 4.610 435 H ILE 52 H ILE 52 -11.911 -15.748 5.369 436 HA ILE 52 HA ILE 52 -13.781 -17.392 6.734 437 HB ILE 52 HB ILE 52 -10.816 -17.539 6.091 438 1HG1 ILE 52 1HG1 ILE 52 -13.172 -19.230 5.166 439 2HG1 ILE 52 2HG1 ILE 52 -12.658 -17.769 4.331 440 1HG2 ILE 52 1HG2 ILE 52 -11.054 -18.809 8.177 441 2HG2 ILE 52 2HG2 ILE 52 -12.402 -19.734 7.468 442 3HG2 ILE 52 3HG2 ILE 52 -10.760 -19.881 6.817 443 1HD1 ILE 52 1HD1 ILE 52 -10.357 -18.800 4.050 444 2HD1 ILE 52 2HD1 ILE 52 -11.056 -20.332 4.625 445 3HD1 ILE 52 3HD1 ILE 52 -11.668 -19.566 3.150 446 H GLN 53 H GLN 53 -11.005 -15.463 7.759 447 HA GLN 53 HA GLN 53 -10.905 -15.972 10.484 448 1HB GLN 53 1HB GLN 53 -10.497 -13.475 8.840 449 2HB GLN 53 2HB GLN 53 -10.573 -13.337 10.592 450 1HG GLN 53 1HG GLN 53 -8.787 -15.042 10.827 451 2HG GLN 53 2HG GLN 53 -8.619 -15.086 9.063 452 1HE2 GLN 53 2HE2 GLN 53 -6.936 -11.991 8.857 453 2HE2 GLN 53 1HE2 GLN 53 -7.174 -13.570 8.184 454 H ARG 54 H ARG 54 -13.487 -14.091 8.876 455 HA ARG 54 HA ARG 54 -14.800 -13.781 11.573 456 1HB ARG 54 1HB ARG 54 -14.563 -11.919 9.215 457 2HB ARG 54 2HB ARG 54 -16.047 -11.926 10.127 458 1HG ARG 54 1HG ARG 54 -14.844 -10.251 11.190 459 2HG ARG 54 2HG ARG 54 -14.725 -11.636 12.268 460 1HD ARG 54 1HD ARG 54 -12.596 -10.563 12.150 461 2HD ARG 54 2HD ARG 54 -12.449 -12.125 11.353 462 HE ARG 54 HE ARG 54 -13.132 -10.232 9.343 463 1HH1 ARG 54 2HH2 ARG 54 -10.252 -10.862 11.438 464 2HH1 ARG 54 1HH2 ARG 54 -9.209 -10.579 10.045 465 1HH2 ARG 54 2HH1 ARG 54 -11.634 -9.319 7.903 466 2HH2 ARG 54 1HH1 ARG 54 -9.942 -9.544 8.255 467 H GLY 55 H GLY 55 -14.866 -15.997 9.341 468 1HA GLY 55 1HA GLY 55 -16.461 -17.361 8.466 469 2HA GLY 55 2HA GLY 55 -17.485 -16.786 9.794 470 H VAL 56 H VAL 56 -16.157 -14.834 7.143 471 HA VAL 56 HA VAL 56 -18.840 -13.945 6.304 472 HB VAL 56 HB VAL 56 -16.004 -13.328 5.484 473 1HG1 VAL 56 1HG1 VAL 56 -18.486 -12.421 3.968 474 2HG1 VAL 56 2HG1 VAL 56 -16.908 -11.630 3.879 475 3HG1 VAL 56 3HG1 VAL 56 -17.064 -13.289 3.337 476 1HG2 VAL 56 1HG2 VAL 56 -17.034 -12.182 7.442 477 2HG2 VAL 56 2HG2 VAL 56 -16.612 -11.071 6.120 478 3HG2 VAL 56 3HG2 VAL 56 -18.302 -11.555 6.354 479 H SER 57 H SER 57 -19.572 -14.289 4.123 480 HA SER 57 HA SER 57 -19.460 -17.012 3.241 481 1HB SER 57 1HB SER 57 -20.866 -14.566 2.681 482 2HB SER 57 2HB SER 57 -20.400 -15.303 1.140 483 HG SER 57 HG SER 57 -21.576 -16.882 3.167 484 HA PRO 58 HA PRO 58 -15.596 -16.618 0.996 485 1HB PRO 58 1HB PRO 58 -15.907 -18.537 -0.996 486 2HB PRO 58 2HB PRO 58 -15.454 -18.876 0.699 487 1HG PRO 58 1HG PRO 58 -18.202 -19.043 -0.551 488 2HG PRO 58 2HG PRO 58 -17.417 -20.210 0.551 489 1HD PRO 58 1HD PRO 58 -19.223 -18.406 1.455 490 2HD PRO 58 2HD PRO 58 -17.780 -18.797 2.437 491 H SER 59 H SER 59 -18.486 -16.961 -1.079 492 HA SER 59 HA SER 59 -17.481 -15.312 -3.220 493 1HB SER 59 1HB SER 59 -20.072 -15.476 -3.746 494 2HB SER 59 2HB SER 59 -19.022 -16.892 -3.882 495 HG SER 59 HG SER 59 -20.928 -17.334 -2.644 496 H GLN 60 H GLN 60 -18.023 -14.263 -0.189 497 HA GLN 60 HA GLN 60 -18.648 -11.570 -1.149 498 1HB GLN 60 1HB GLN 60 -19.994 -12.971 1.210 499 2HB GLN 60 2HB GLN 60 -19.963 -11.219 1.036 500 1HG GLN 60 1HG GLN 60 -21.157 -13.018 -1.122 501 2HG GLN 60 2HG GLN 60 -22.078 -12.322 0.203 502 1HE2 GLN 60 2HE2 GLN 60 -20.660 -9.811 -2.749 503 2HE2 GLN 60 1HE2 GLN 60 -20.231 -11.527 -2.735 504 H ALA 61 H ALA 61 -16.204 -13.133 -0.593 505 HA ALA 61 HA ALA 61 -15.074 -11.842 1.703 506 1HB ALA 61 2HB ALA 61 -14.099 -13.826 0.572 507 2HB ALA 61 3HB ALA 61 -13.603 -12.771 -0.771 508 3HB ALA 61 1HB ALA 61 -12.985 -12.489 0.876 509 H GLN 62 H GLN 62 -16.116 -10.677 -1.379 510 HA GLN 62 HA GLN 62 -14.749 -8.201 -1.363 511 1HB GLN 62 1HB GLN 62 -17.207 -9.287 -2.603 512 2HB GLN 62 2HB GLN 62 -17.247 -7.548 -2.323 513 1HG GLN 62 1HG GLN 62 -16.424 -8.083 -4.554 514 2HG GLN 62 2HG GLN 62 -15.234 -7.187 -3.611 515 1HE2 GLN 62 2HE2 GLN 62 -12.774 -9.778 -3.698 516 2HE2 GLN 62 1HE2 GLN 62 -13.298 -8.374 -2.818 517 H GLY 63 H GLY 63 -17.527 -9.308 0.532 518 1HA GLY 63 1HA GLY 63 -18.625 -6.849 1.280 519 2HA GLY 63 2HA GLY 63 -18.793 -8.370 2.162 520 H LEU 64 H LEU 64 -15.736 -8.296 2.439 521 HA LEU 64 HA LEU 64 -15.294 -7.381 5.011 522 1HB LEU 64 1HB LEU 64 -13.552 -7.687 2.558 523 2HB LEU 64 2HB LEU 64 -12.900 -6.987 4.040 524 HG LEU 64 HG LEU 64 -13.437 -8.940 5.347 525 1HD1 LEU 64 2HD1 LEU 64 -14.740 -9.975 2.870 526 2HD1 LEU 64 3HD1 LEU 64 -14.192 -11.004 4.195 527 3HD1 LEU 64 1HD1 LEU 64 -15.429 -9.762 4.484 528 1HD2 LEU 64 3HD2 LEU 64 -11.290 -8.814 4.020 529 2HD2 LEU 64 1HD2 LEU 64 -11.842 -10.471 4.311 530 3HD2 LEU 64 2HD2 LEU 64 -12.085 -9.717 2.718 531 H GLY 65 H GLY 65 -15.178 -5.472 2.013 532 1HA GLY 65 1HA GLY 65 -15.119 -3.233 1.645 533 2HA GLY 65 2HA GLY 65 -16.069 -3.102 3.131 534 H SER 66 H SER 66 -14.917 -2.541 5.117 535 HA SER 66 HA SER 66 -12.789 -0.691 4.823 536 1HB SER 66 1HB SER 66 -14.348 -0.861 6.805 537 2HB SER 66 2HB SER 66 -13.422 -2.283 7.337 538 HG SER 66 HG SER 66 -12.607 -0.357 8.299 539 H ASN 67 H ASN 67 -12.800 -4.166 5.675 540 HA ASN 67 HA ASN 67 -9.824 -4.195 5.576 541 1HB ASN 67 1HB ASN 67 -9.786 -6.057 6.867 542 2HB ASN 67 2HB ASN 67 -11.053 -5.070 7.590 543 1HD2 ASN 67 2HD2 ASN 67 -13.617 -7.486 6.818 544 2HD2 ASN 67 1HD2 ASN 67 -13.450 -5.775 7.067 545 H LEU 68 H LEU 68 -11.929 -4.262 3.207 546 HA LEU 68 HA LEU 68 -11.512 -6.760 1.857 547 1HB LEU 68 1HB LEU 68 -13.182 -5.183 1.079 548 2HB LEU 68 2HB LEU 68 -11.973 -3.886 0.919 549 HG LEU 68 HG LEU 68 -10.894 -5.304 -0.897 550 1HD1 LEU 68 2HD1 LEU 68 -12.323 -7.386 -0.240 551 2HD1 LEU 68 3HD1 LEU 68 -13.633 -6.501 -1.038 552 3HD1 LEU 68 1HD1 LEU 68 -12.189 -6.972 -1.967 553 1HD2 LEU 68 2HD2 LEU 68 -13.679 -4.198 -1.344 554 2HD2 LEU 68 3HD2 LEU 68 -12.149 -3.282 -1.419 555 3HD2 LEU 68 1HD2 LEU 68 -12.484 -4.562 -2.606 556 H VAL 69 H VAL 69 -9.657 -7.405 0.788 557 HA VAL 69 HA VAL 69 -7.374 -5.494 0.512 558 HB VAL 69 HB VAL 69 -6.669 -7.624 1.424 559 1HG1 VAL 69 3HG1 VAL 69 -8.051 -8.816 -0.989 560 2HG1 VAL 69 1HG1 VAL 69 -6.709 -9.613 -0.220 561 3HG1 VAL 69 2HG1 VAL 69 -8.140 -9.263 0.744 562 1HG2 VAL 69 2HG2 VAL 69 -5.765 -7.211 -1.458 563 2HG2 VAL 69 3HG2 VAL 69 -5.106 -6.450 0.013 564 3HG2 VAL 69 1HG2 VAL 69 -4.950 -8.190 -0.252 565 H THR 70 H THR 70 -6.770 -4.767 -1.455 566 HA THR 70 HA THR 70 -8.248 -5.630 -3.886 567 HB THR 70 HB THR 70 -8.131 -3.145 -4.466 568 HG1 THR 70 1HG THR 70 -8.112 -1.927 -2.315 569 1HG2 THR 70 2HG2 THR 70 -10.171 -4.393 -3.549 570 2HG2 THR 70 3HG2 THR 70 -9.738 -3.733 -1.951 571 3HG2 THR 70 1HG2 THR 70 -10.164 -2.644 -3.278 572 H GLU 71 H GLU 71 -7.005 -5.043 -5.817 573 HA GLU 71 HA GLU 71 -4.408 -6.084 -5.922 574 1HB GLU 71 1HB GLU 71 -5.834 -3.980 -7.611 575 2HB GLU 71 2HB GLU 71 -4.267 -4.675 -8.062 576 1HG GLU 71 1HG GLU 71 -5.140 -6.888 -8.271 577 2HG GLU 71 2HG GLU 71 -6.637 -6.478 -7.436 578 H VAL 72 H VAL 72 -5.366 -2.642 -5.645 579 HA VAL 72 HA VAL 72 -2.789 -1.631 -5.668 580 HB VAL 72 HB VAL 72 -4.819 -0.337 -5.978 581 1HG1 VAL 72 2HG1 VAL 72 -6.223 -1.194 -4.161 582 2HG1 VAL 72 3HG1 VAL 72 -5.163 -0.452 -2.943 583 3HG1 VAL 72 1HG1 VAL 72 -6.074 0.567 -4.071 584 1HG2 VAL 72 1HG2 VAL 72 -2.638 0.755 -5.475 585 2HG2 VAL 72 2HG2 VAL 72 -4.061 1.700 -5.002 586 3HG2 VAL 72 3HG2 VAL 72 -3.128 0.843 -3.763 587 H ARG 73 H ARG 73 -4.433 -3.104 -2.843 588 HA ARG 73 HA ARG 73 -2.617 -2.134 -0.825 589 1HB ARG 73 1HB ARG 73 -4.138 -4.770 -1.086 590 2HB ARG 73 2HB ARG 73 -3.214 -4.329 0.321 591 1HG ARG 73 1HG ARG 73 -5.690 -2.889 -0.711 592 2HG ARG 73 2HG ARG 73 -5.595 -3.977 0.672 593 1HD ARG 73 1HD ARG 73 -4.474 -1.215 0.371 594 2HD ARG 73 2HD ARG 73 -5.597 -1.840 1.599 595 HE ARG 73 HE ARG 73 -3.371 -3.305 2.096 596 1HH1 ARG 73 2HH2 ARG 73 -4.103 0.185 2.063 597 2HH1 ARG 73 1HH2 ARG 73 -2.494 0.608 2.680 598 1HH2 ARG 73 2HH1 ARG 73 -1.367 -2.585 3.392 599 2HH2 ARG 73 1HH1 ARG 73 -1.160 -0.879 3.505 600 H VAL 74 H VAL 74 -2.721 -5.143 -2.717 601 HA VAL 74 HA VAL 74 -0.268 -6.242 -1.749 602 HB VAL 74 HB VAL 74 -1.846 -6.586 -4.389 603 1HG1 VAL 74 1HG1 VAL 74 0.383 -8.285 -3.273 604 2HG1 VAL 74 2HG1 VAL 74 -0.656 -8.713 -4.659 605 3HG1 VAL 74 3HG1 VAL 74 0.444 -7.344 -4.774 606 1HG2 VAL 74 1HG2 VAL 74 -3.133 -7.277 -2.369 607 2HG2 VAL 74 2HG2 VAL 74 -2.751 -8.616 -3.454 608 3HG2 VAL 74 3HG2 VAL 74 -1.827 -8.419 -1.966 609 H TYR 75 H TYR 75 -1.094 -4.433 -4.716 610 HA TYR 75 HA TYR 75 1.340 -4.411 -5.995 611 1HB TYR 75 1HB TYR 75 -1.045 -3.406 -6.577 612 2HB TYR 75 2HB TYR 75 -0.358 -1.905 -5.980 613 HD1 TYR 75 1HD TYR 75 2.326 -1.720 -7.030 614 HD2 TYR 75 2HD TYR 75 -1.203 -3.421 -8.866 615 HE1 TYR 75 1HE TYR 75 3.329 -1.433 -9.248 616 HE2 TYR 75 2HE TYR 75 -0.302 -2.823 -11.086 617 HH TYR 75 HH TYR 75 3.108 -1.982 -11.503 618 H ASN 76 H ASN 76 0.115 -1.989 -3.641 619 HA ASN 76 HA ASN 76 2.439 -0.383 -3.521 620 1HB ASN 76 1HB ASN 76 0.165 -0.965 -1.587 621 2HB ASN 76 2HB ASN 76 1.588 -0.120 -0.990 622 1HD2 ASN 76 2HD2 ASN 76 -0.996 1.889 -3.401 623 2HD2 ASN 76 1HD2 ASN 76 -1.173 0.163 -3.119 624 H TRP 77 H TRP 77 1.484 -3.174 -1.488 625 HA TRP 77 HA TRP 77 3.719 -3.195 0.231 626 1HB TRP 77 1HB TRP 77 1.646 -4.313 0.635 627 2HB TRP 77 2HB TRP 77 1.820 -5.408 -0.691 628 HD1 TRP 77 HD TRP 77 1.926 -5.379 2.759 629 HE1 TRP 77 1HE TRP 77 3.172 -7.440 3.780 630 HE3 TRP 77 3HE TRP 77 4.093 -7.165 -1.452 631 HZ2 TRP 77 2HZ TRP 77 4.723 -9.652 2.774 632 HZ3 TRP 77 3HZ TRP 77 5.055 -9.387 -1.477 633 HH2 TRP 77 HH TRP 77 5.518 -10.612 0.643 634 H PHE 78 H PHE 78 3.245 -5.133 -2.757 635 HA PHE 78 HA PHE 78 5.807 -6.270 -2.965 636 1HB PHE 78 1HB PHE 78 3.639 -5.541 -4.950 637 2HB PHE 78 2HB PHE 78 5.219 -6.020 -5.521 638 HD1 PHE 78 1HD PHE 78 2.578 -7.352 -3.129 639 HD2 PHE 78 2HD PHE 78 5.733 -8.205 -5.919 640 HE1 PHE 78 1HE PHE 78 2.282 -9.782 -2.754 641 HE2 PHE 78 2HE PHE 78 5.262 -10.637 -5.714 642 HZ PHE 78 HZ PHE 78 3.644 -11.426 -4.034 643 H ALA 79 H ALA 79 4.635 -3.188 -4.354 644 HA ALA 79 HA ALA 79 7.061 -2.455 -5.631 645 1HB ALA 79 1HB ALA 79 4.875 -1.481 -6.202 646 2HB ALA 79 2HB ALA 79 4.802 -0.684 -4.615 647 3HB ALA 79 3HB ALA 79 6.049 -0.222 -5.789 648 H ASN 80 H ASN 80 6.119 -2.268 -2.246 649 HA ASN 80 HA ASN 80 8.375 -0.461 -1.565 650 1HB ASN 80 1HB ASN 80 6.221 -1.857 0.055 651 2HB ASN 80 2HB ASN 80 7.709 -1.289 0.807 652 1HD2 ASN 80 2HD2 ASN 80 5.149 1.525 -0.824 653 2HD2 ASN 80 1HD2 ASN 80 5.022 -0.180 -1.265 654 H ARG 81 H ARG 81 7.475 -3.914 -1.207 655 HA ARG 81 HA ARG 81 9.745 -4.759 0.158 656 1HB ARG 81 1HB ARG 81 8.102 -6.286 -1.867 657 2HB ARG 81 2HB ARG 81 9.258 -6.990 -0.727 658 1HG ARG 81 1HG ARG 81 7.505 -5.269 0.812 659 2HG ARG 81 2HG ARG 81 6.504 -6.194 -0.312 660 1HD ARG 81 1HD ARG 81 6.696 -7.398 1.743 661 2HD ARG 81 2HD ARG 81 7.543 -8.281 0.442 662 HE ARG 81 HE ARG 81 9.316 -6.533 2.017 663 1HH1 ARG 81 2HH2 ARG 81 7.635 -9.624 2.042 664 2HH1 ARG 81 1HH2 ARG 81 8.937 -10.478 2.800 665 1HH2 ARG 81 2HH1 ARG 81 10.706 -7.407 3.435 666 2HH2 ARG 81 1HH1 ARG 81 10.549 -9.049 4.074 667 H ARG 82 H ARG 82 9.319 -4.534 -3.419 668 HA ARG 82 HA ARG 82 11.867 -5.573 -4.043 669 1HB ARG 82 1HB ARG 82 11.635 -4.665 -6.218 670 2HB ARG 82 2HB ARG 82 10.087 -5.251 -5.648 671 1HG ARG 82 1HG ARG 82 9.480 -3.335 -6.685 672 2HG ARG 82 2HG ARG 82 9.590 -2.771 -5.015 673 1HD ARG 82 1HD ARG 82 11.768 -1.690 -5.513 674 2HD ARG 82 2HD ARG 82 11.825 -2.479 -7.095 675 HE ARG 82 HE ARG 82 9.499 -1.099 -7.258 676 1HH1 ARG 82 2HH2 ARG 82 12.884 -0.223 -6.610 677 2HH1 ARG 82 1HH2 ARG 82 12.767 1.363 -7.288 678 1HH2 ARG 82 2HH1 ARG 82 9.356 0.942 -8.260 679 2HH2 ARG 82 1HH1 ARG 82 10.788 1.892 -8.488 680 H LYS 83 H LYS 83 11.032 -2.343 -2.855 681 HA LYS 83 HA LYS 83 13.719 -1.323 -3.383 682 1HB LYS 83 1HB LYS 83 11.782 0.242 -3.433 683 2HB LYS 83 2HB LYS 83 11.400 -0.179 -1.760 684 1HG LYS 83 1HG LYS 83 12.460 1.897 -1.659 685 2HG LYS 83 2HG LYS 83 13.643 0.752 -1.049 686 1HD LYS 83 1HD LYS 83 14.772 0.778 -3.322 687 2HD LYS 83 2HD LYS 83 13.541 1.944 -3.855 688 1HE LYS 83 1HE LYS 83 14.279 3.420 -1.882 689 2HE LYS 83 2HE LYS 83 15.647 2.318 -1.663 690 1HZ LYS 83 3HZ LYS 83 15.046 3.915 -4.076 691 2HZ LYS 83 1HZ LYS 83 16.151 4.276 -2.941 692 3HZ LYS 83 2HZ LYS 83 16.397 2.965 -3.900 693 H GLU 84 H GLU 84 11.894 -2.719 -0.688 694 HA GLU 84 HA GLU 84 13.781 -2.452 1.373 695 1HB GLU 84 1HB GLU 84 11.391 -3.712 1.111 696 2HB GLU 84 2HB GLU 84 12.455 -5.131 1.005 697 1HG GLU 84 1HG GLU 84 13.472 -4.351 3.189 698 2HG GLU 84 2HG GLU 84 12.249 -3.056 3.179 699 H GLU 85 H GLU 85 13.655 -4.661 -1.403 700 HA GLU 85 HA GLU 85 15.932 -6.231 -0.569 701 1HB GLU 85 1HB GLU 85 14.108 -6.977 -2.060 702 2HB GLU 85 2HB GLU 85 14.776 -6.008 -3.385 703 1HG GLU 85 1HG GLU 85 16.866 -7.290 -3.285 704 2HG GLU 85 2HG GLU 85 16.302 -8.166 -1.859 705 H ALA 86 H ALA 86 15.509 -3.582 -2.978 706 HA ALA 86 HA ALA 86 18.235 -3.302 -3.689 707 1HB ALA 86 1HB ALA 86 16.473 -2.077 -4.828 708 2HB ALA 86 2HB ALA 86 16.166 -1.116 -3.351 709 3HB ALA 86 3HB ALA 86 17.711 -0.962 -4.197 710 H PHE 87 H PHE 87 16.479 -2.149 -0.821 711 HA PHE 87 HA PHE 87 18.491 -0.498 0.261 712 1HB PHE 87 1HB PHE 87 15.976 -1.053 1.041 713 2HB PHE 87 2HB PHE 87 16.804 -2.164 2.109 714 HD1 PHE 87 1HD PHE 87 16.303 1.389 1.187 715 HD2 PHE 87 2HD PHE 87 18.232 -1.305 3.945 716 HE1 PHE 87 1HE PHE 87 16.706 3.273 2.757 717 HE2 PHE 87 2HE PHE 87 18.584 0.572 5.530 718 HZ PHE 87 HZ PHE 87 17.830 2.860 4.936 719 H ARG 88 H ARG 88 17.793 -4.036 0.853 720 HA ARG 88 HA ARG 88 20.153 -4.473 2.296 721 1HB ARG 88 1HB ARG 88 18.158 -6.059 1.976 722 2HB ARG 88 2HB ARG 88 18.855 -6.469 0.405 723 1HG ARG 88 1HG ARG 88 21.039 -6.994 1.886 724 2HG ARG 88 2HG ARG 88 19.859 -7.164 3.178 725 1HD ARG 88 1HD ARG 88 19.978 -8.623 0.517 726 2HD ARG 88 2HD ARG 88 20.350 -9.300 2.099 727 HE ARG 88 HE ARG 88 17.885 -8.768 2.676 728 1HH1 ARG 88 2HH2 ARG 88 18.957 -10.249 -0.303 729 2HH1 ARG 88 1HH2 ARG 88 17.421 -10.287 -1.098 730 1HH2 ARG 88 2HH1 ARG 88 15.972 -9.818 2.185 731 2HH2 ARG 88 1HH1 ARG 88 15.506 -9.993 0.494 732 H HIS 89 H HIS 89 19.648 -4.206 -1.139 733 HA HIS 89 HA HIS 89 22.038 -5.549 -1.888 734 1HB HIS 89 1HB HIS 89 19.857 -5.082 -3.219 735 2HB HIS 89 2HB HIS 89 20.620 -3.533 -3.622 736 HD1 HIS 89 1HD HIS 89 23.329 -4.108 -4.649 737 HD2 HIS 89 2HD HIS 89 20.248 -6.951 -4.872 738 HE1 HIS 89 1HE HIS 89 23.969 -5.736 -6.535 739 H LYS 90 H LYS 90 21.578 -2.449 -0.542 740 HA LYS 90 HA LYS 90 24.474 -1.994 -1.106 741 1HB LYS 90 1HB LYS 90 23.058 -0.529 -2.604 742 2HB LYS 90 2HB LYS 90 22.437 0.254 -1.159 743 1HG LYS 90 1HG LYS 90 24.223 1.544 -2.210 744 2HG LYS 90 2HG LYS 90 24.643 1.071 -0.571 745 1HD LYS 90 1HD LYS 90 26.543 0.940 -2.010 746 2HD LYS 90 2HD LYS 90 26.205 -0.661 -1.412 747 1HE LYS 90 1HE LYS 90 25.361 0.382 -4.185 748 2HE LYS 90 2HE LYS 90 26.897 -0.418 -3.846 749 1HZ LYS 90 1HZ LYS 90 25.597 -2.399 -3.142 750 2HZ LYS 90 2HZ LYS 90 24.238 -1.701 -3.766 751 3HZ LYS 90 3HZ LYS 90 25.490 -1.980 -4.724 752 H LEU 91 H LEU 91 21.806 -1.161 1.129 753 HA LEU 91 HA LEU 91 23.623 -0.518 3.163 754 1HB LEU 91 1HB LEU 91 20.595 -0.678 3.248 755 2HB LEU 91 2HB LEU 91 21.645 -0.088 4.538 756 HG LEU 91 HG LEU 91 20.837 1.819 3.621 757 1HD1 LEU 91 2HD1 LEU 91 23.312 1.890 3.876 758 2HD1 LEU 91 3HD1 LEU 91 23.487 1.509 2.144 759 3HD1 LEU 91 1HD1 LEU 91 22.704 3.006 2.639 760 1HD2 LEU 91 1HD2 LEU 91 19.798 0.941 1.604 761 2HD2 LEU 91 2HD2 LEU 91 20.715 2.423 1.305 762 3HD2 LEU 91 3HD2 LEU 91 21.375 0.883 0.783 763 H ALA 92 H ALA 92 21.331 -2.012 4.895 764 HA ALA 92 HA ALA 92 21.151 -3.941 6.013 765 1HB ALA 92 2HB ALA 92 22.059 -5.139 3.394 766 2HB ALA 92 3HB ALA 92 21.774 -6.107 4.822 767 3HB ALA 92 1HB ALA 92 20.450 -5.138 4.207 768 H MET 93 H MET 93 22.840 -2.691 7.171 769 HA MET 93 HA MET 93 24.718 -2.647 8.403 770 1HB MET 93 1HB MET 93 23.790 -5.138 8.765 771 2HB MET 93 2HB MET 93 25.287 -5.577 7.956 772 1HG MET 93 1HG MET 93 26.486 -4.244 9.750 773 2HG MET 93 2HG MET 93 24.906 -3.937 10.484 774 1HE MET 93 2HE MET 93 25.422 -4.864 12.712 775 2HE MET 93 3HE MET 93 26.234 -6.417 13.046 776 3HE MET 93 1HE MET 93 27.111 -5.110 12.208 777 H ASP 94 H ASP 94 24.831 -2.563 5.397 778 HA ASP 94 HA ASP 94 26.125 -2.363 3.649 779 1HB ASP 94 1HB ASP 94 28.014 -1.405 4.915 780 2HB ASP 94 2HB ASP 94 28.518 -3.040 5.394 781 H THR 95 H THR 95 27.053 -5.087 5.753 782 HA THR 95 HA THR 95 27.587 -6.726 3.446 783 HB THR 95 HB THR 95 28.006 -8.442 5.387 784 HG1 THR 95 1HG THR 95 28.523 -7.416 7.292 785 1HG2 THR 95 1HG2 THR 95 29.645 -5.914 4.887 786 2HG2 THR 95 2HG2 THR 95 30.290 -7.391 5.630 787 3HG2 THR 95 3HG2 THR 95 29.734 -7.421 3.963 788 H TYR 96 H TYR 96 25.481 -7.416 6.292 789 HA TYR 96 HA TYR 96 23.255 -8.048 4.554 790 1HB TYR 96 1HB TYR 96 22.980 -10.276 5.554 791 2HB TYR 96 2HB TYR 96 24.327 -10.141 4.442 792 HD1 TYR 96 1HD TYR 96 26.672 -10.315 5.338 793 HD2 TYR 96 2HD TYR 96 23.204 -10.879 7.816 794 HE1 TYR 96 1HE TYR 96 28.039 -11.603 6.960 795 HE2 TYR 96 2HE TYR 96 24.528 -12.253 9.371 796 HH TYR 96 HH TYR 96 26.499 -13.406 9.632 797 H LYS 97 H LYS 97 21.317 -8.241 5.696 798 HA LYS 97 HA LYS 97 20.801 -8.041 8.411 799 1HB LYS 97 1HB LYS 97 22.040 -5.653 7.709 800 2HB LYS 97 2HB LYS 97 20.358 -5.199 7.659 801 1HG LYS 97 1HG LYS 97 20.062 -6.126 9.950 802 2HG LYS 97 2HG LYS 97 21.830 -6.339 10.015 803 1HD LYS 97 1HD LYS 97 22.101 -3.884 9.430 804 2HD LYS 97 2HD LYS 97 20.355 -3.690 9.475 805 1HE LYS 97 1HE LYS 97 22.073 -4.608 11.837 806 2HE LYS 97 2HE LYS 97 21.561 -2.944 11.549 807 1HZ LYS 97 3HZ LYS 97 19.251 -3.689 11.688 808 2HZ LYS 97 1HZ LYS 97 19.777 -5.225 12.067 809 3HZ LYS 97 2HZ LYS 97 20.083 -3.945 13.057 810 H LEU 98 H LEU 98 19.574 -5.705 6.006 811 HA LEU 98 HA LEU 98 17.633 -5.128 5.346 812 1HB LEU 98 1HB LEU 98 17.707 -7.136 3.945 813 2HB LEU 98 2HB LEU 98 16.732 -7.997 5.127 814 HG LEU 98 HG LEU 98 15.881 -5.350 3.838 815 1HD1 LEU 98 2HD1 LEU 98 16.173 -7.127 2.086 816 2HD1 LEU 98 3HD1 LEU 98 14.959 -8.098 2.958 817 3HD1 LEU 98 1HD1 LEU 98 14.524 -6.531 2.266 818 1HD2 LEU 98 1HD2 LEU 98 14.465 -7.467 5.499 819 2HD2 LEU 98 2HD2 LEU 98 14.473 -5.697 5.736 820 3HD2 LEU 98 3HD2 LEU 98 13.568 -6.416 4.410 821 H ASN 99 H ASN 99 16.960 -4.012 7.023 822 HA ASN 99 HA ASN 99 14.978 -5.276 8.873 823 1HB ASN 99 2HB ASN 99 17.308 -3.517 9.552 824 2HB ASN 99 3HB ASN 99 15.773 -3.116 10.333 825 1HD2 ASN 99 2HD2 ASN 99 15.496 -6.353 12.020 826 2HD2 ASN 99 1HD2 ASN 99 14.521 -5.180 11.140 No H/Q in entry = 826 Start of MODEL 15 1 1H MET 0 2H MET 0 20.191 9.390 -10.393 2 2H MET 0 3H MET 0 19.430 8.627 -11.646 3 3H MET 0 1H MET 0 20.254 10.053 -11.886 4 HA MET 0 HA MET 0 18.838 11.341 -10.699 5 1HB MET 0 2HB MET 0 17.190 9.333 -12.271 6 2HB MET 0 3HB MET 0 16.492 10.788 -11.553 7 1HG MET 0 2HG MET 0 18.762 10.835 -13.586 8 2HG MET 0 3HG MET 0 17.055 11.131 -13.930 9 1HE MET 0 3HE MET 0 17.642 13.475 -15.076 10 2HE MET 0 1HE MET 0 18.567 14.732 -14.250 11 3HE MET 0 2HE MET 0 19.358 13.209 -14.741 12 H ALA 1 H ALA 1 17.337 11.714 -9.056 13 HA ALA 1 HA ALA 1 17.322 9.702 -6.952 14 1HB ALA 1 2HB ALA 1 16.061 12.466 -7.136 15 2HB ALA 1 3HB ALA 1 16.018 11.416 -5.707 16 3HB ALA 1 1HB ALA 1 17.574 11.988 -6.329 17 H ARG 2 H ARG 2 14.648 11.393 -8.745 18 HA ARG 2 HA ARG 2 12.739 9.502 -7.744 19 1HB ARG 2 1HB ARG 2 11.096 10.510 -9.110 20 2HB ARG 2 2HB ARG 2 12.098 11.737 -8.356 21 1HG ARG 2 1HG ARG 2 12.107 12.682 -10.354 22 2HG ARG 2 2HG ARG 2 13.393 11.548 -10.764 23 1HD ARG 2 1HD ARG 2 10.443 10.884 -11.210 24 2HD ARG 2 2HD ARG 2 11.301 11.894 -12.342 25 HE ARG 2 HE ARG 2 13.001 10.046 -12.622 26 1HH1 ARG 2 2HH2 ARG 2 9.529 9.270 -12.063 27 2HH1 ARG 2 1HH2 ARG 2 9.810 7.591 -12.435 28 1HH2 ARG 2 2HH1 ARG 2 13.144 8.106 -13.482 29 2HH2 ARG 2 1HH1 ARG 2 11.845 6.924 -13.463 30 H ILE 3 H ILE 3 11.626 7.925 -8.788 31 HA ILE 3 HA ILE 3 11.568 6.330 -10.760 32 HB ILE 3 HB ILE 3 13.876 6.455 -11.306 33 1HG1 ILE 3 1HG1 ILE 3 13.205 3.712 -10.145 34 2HG1 ILE 3 2HG1 ILE 3 12.634 4.372 -11.679 35 1HG2 ILE 3 1HG2 ILE 3 14.846 6.766 -8.897 36 2HG2 ILE 3 2HG2 ILE 3 14.772 5.001 -8.794 37 3HG2 ILE 3 3HG2 ILE 3 15.757 5.790 -10.032 38 1HD1 ILE 3 3HD1 ILE 3 15.072 4.598 -12.376 39 2HD1 ILE 3 1HD1 ILE 3 15.494 3.651 -10.929 40 3HD1 ILE 3 2HD1 ILE 3 14.474 2.937 -12.183 41 H ASP 4 H ASP 4 13.309 6.094 -7.696 42 HA ASP 4 HA ASP 4 11.664 3.933 -6.688 43 1HB ASP 4 1HB ASP 4 13.862 3.616 -6.281 44 2HB ASP 4 2HB ASP 4 14.176 5.274 -5.817 45 HA PRO 5 HA PRO 5 9.932 7.071 -3.570 46 1HB PRO 5 1HB PRO 5 10.843 9.637 -3.430 47 2HB PRO 5 2HB PRO 5 11.701 8.281 -2.673 48 1HG PRO 5 1HG PRO 5 12.327 9.512 -5.365 49 2HG PRO 5 2HG PRO 5 13.456 9.169 -4.023 50 1HD PRO 5 1HD PRO 5 13.139 7.401 -6.092 51 2HD PRO 5 2HD PRO 5 13.333 6.811 -4.416 52 H THR 6 H THR 6 8.570 6.492 -5.510 53 HA THR 6 HA THR 6 7.388 8.831 -6.868 54 HB THR 6 HB THR 6 8.616 6.534 -8.457 55 HG1 THR 6 1HG THR 6 9.828 8.874 -7.505 56 1HG2 THR 6 2HG2 THR 6 6.878 7.996 -9.572 57 2HG2 THR 6 3HG2 THR 6 7.926 9.394 -9.255 58 3HG2 THR 6 1HG2 THR 6 8.480 8.068 -10.308 59 H LYS 7 H LYS 7 6.034 7.399 -4.992 60 HA LYS 7 HA LYS 7 4.053 5.934 -6.626 61 1HB LYS 7 1HB LYS 7 5.399 4.802 -4.145 62 2HB LYS 7 2HB LYS 7 3.911 4.169 -4.854 63 1HG LYS 7 1HG LYS 7 6.526 4.294 -6.402 64 2HG LYS 7 2HG LYS 7 6.049 2.945 -5.403 65 1HD LYS 7 1HD LYS 7 4.223 2.316 -6.769 66 2HD LYS 7 2HD LYS 7 4.142 3.893 -7.555 67 1HE LYS 7 1HE LYS 7 5.082 2.263 -9.102 68 2HE LYS 7 2HE LYS 7 6.245 3.529 -8.710 69 1HZ LYS 7 2HZ LYS 7 7.121 1.783 -7.005 70 2HZ LYS 7 3HZ LYS 7 6.374 0.692 -7.974 71 3HZ LYS 7 1HZ LYS 7 7.497 1.731 -8.578 72 H LYS 8 H LYS 8 3.548 8.272 -6.151 73 HA LYS 8 HA LYS 8 2.551 9.320 -3.831 74 1HB LYS 8 1HB LYS 8 1.155 10.763 -5.347 75 2HB LYS 8 2HB LYS 8 2.863 10.656 -5.747 76 1HG LYS 8 1HG LYS 8 2.266 8.913 -7.528 77 2HG LYS 8 2HG LYS 8 0.568 9.293 -7.221 78 1HD LYS 8 1HD LYS 8 0.965 11.640 -7.851 79 2HD LYS 8 2HD LYS 8 2.703 11.322 -8.012 80 1HE LYS 8 1HE LYS 8 2.127 9.567 -9.792 81 2HE LYS 8 2HE LYS 8 0.454 10.139 -9.713 82 1HZ LYS 8 3HZ LYS 8 1.304 12.332 -10.392 83 2HZ LYS 8 1HZ LYS 8 2.824 11.701 -10.531 84 3HZ LYS 8 2HZ LYS 8 1.591 11.141 -11.494 85 H GLY 9 H GLY 9 1.655 7.216 -2.897 86 1HA GLY 9 1HA GLY 9 -0.880 7.373 -2.016 87 2HA GLY 9 2HA GLY 9 -1.156 6.636 -3.607 88 H ARG 10 H ARG 10 0.853 6.272 -0.660 89 HA ARG 10 HA ARG 10 0.537 3.287 -0.805 90 1HB ARG 10 1HB ARG 10 2.278 4.863 1.119 91 2HB ARG 10 2HB ARG 10 2.258 3.128 0.848 92 1HG ARG 10 1HG ARG 10 3.256 5.238 -1.134 93 2HG ARG 10 2HG ARG 10 4.250 4.299 -0.030 94 1HD ARG 10 1HD ARG 10 4.421 3.408 -2.214 95 2HD ARG 10 2HD ARG 10 3.612 2.202 -1.195 96 HE ARG 10 HE ARG 10 1.653 3.833 -2.454 97 1HH1 ARG 10 2HH2 ARG 10 4.179 1.623 -3.610 98 2HH1 ARG 10 1HH2 ARG 10 3.199 1.015 -4.916 99 1HH2 ARG 10 2HH1 ARG 10 0.442 3.166 -4.142 100 2HH2 ARG 10 1HH1 ARG 10 1.085 2.113 -5.379 101 H ARG 11 H ARG 11 -1.380 2.770 0.232 102 HA ARG 11 HA ARG 11 -2.745 4.578 1.852 103 1HB ARG 11 1HB ARG 11 -3.172 2.068 0.708 104 2HB ARG 11 2HB ARG 11 -3.301 1.741 2.401 105 1HG ARG 11 1HG ARG 11 -5.078 3.566 2.532 106 2HG ARG 11 2HG ARG 11 -4.850 3.827 0.792 107 1HD ARG 11 1HD ARG 11 -5.332 1.231 0.577 108 2HD ARG 11 2HD ARG 11 -5.970 1.366 2.208 109 HE ARG 11 HE ARG 11 -7.878 2.322 1.349 110 1HH1 ARG 11 2HH2 ARG 11 -5.276 2.547 -1.101 111 2HH1 ARG 11 1HH2 ARG 11 -6.343 3.018 -2.365 112 1HH2 ARG 11 2HH1 ARG 11 -9.334 2.773 -0.454 113 2HH2 ARG 11 1HH1 ARG 11 -8.621 2.790 -2.043 114 H ASN 12 H ASN 12 -2.888 4.558 4.069 115 HA ASN 12 HA ASN 12 -0.691 3.162 5.609 116 1HB ASN 12 1HB ASN 12 -0.436 5.653 4.992 117 2HB ASN 12 2HB ASN 12 -1.598 5.971 6.291 118 1HD2 ASN 12 2HD2 ASN 12 0.788 4.601 8.788 119 2HD2 ASN 12 1HD2 ASN 12 -0.942 4.629 8.462 120 H ARG 13 H ARG 13 -3.899 4.690 5.812 121 HA ARG 13 HA ARG 13 -4.578 3.951 8.423 122 1HB ARG 13 1HB ARG 13 -6.877 4.068 7.701 123 2HB ARG 13 2HB ARG 13 -5.928 5.395 7.011 124 1HG ARG 13 1HG ARG 13 -5.814 3.630 4.922 125 2HG ARG 13 2HG ARG 13 -7.285 3.041 5.712 126 1HD ARG 13 1HD ARG 13 -8.053 4.625 4.159 127 2HD ARG 13 2HD ARG 13 -8.038 5.543 5.678 128 HE ARG 13 HE ARG 13 -5.488 5.933 4.527 129 1HH1 ARG 13 2HH2 ARG 13 -8.829 6.844 3.781 130 2HH1 ARG 13 1HH2 ARG 13 -8.366 7.888 2.462 131 1HH2 ARG 13 2HH1 ARG 13 -4.883 7.310 2.968 132 2HH2 ARG 13 1HH1 ARG 13 -5.999 8.357 2.134 133 H PHE 14 H PHE 14 -4.724 2.053 5.505 134 HA PHE 14 HA PHE 14 -5.873 -0.370 6.587 135 1HB PHE 14 1HB PHE 14 -6.033 0.080 4.247 136 2HB PHE 14 2HB PHE 14 -4.283 0.316 4.102 137 HD1 PHE 14 2HD PHE 14 -6.875 -2.344 4.804 138 HD2 PHE 14 1HD PHE 14 -2.751 -1.507 3.803 139 HE1 PHE 14 2HE PHE 14 -6.480 -4.736 4.254 140 HE2 PHE 14 1HE PHE 14 -2.462 -3.840 3.096 141 HZ PHE 14 HZ PHE 14 -4.375 -5.403 3.120 142 H LYS 15 H LYS 15 -4.510 -2.493 6.399 143 HA LYS 15 HA LYS 15 -1.761 -2.605 6.947 144 1HB LYS 15 1HB LYS 15 -2.117 -3.392 9.361 145 2HB LYS 15 2HB LYS 15 -2.195 -1.673 9.006 146 1HG LYS 15 1HG LYS 15 -4.854 -1.995 8.970 147 2HG LYS 15 2HG LYS 15 -4.478 -3.548 9.672 148 1HD LYS 15 1HD LYS 15 -4.751 -2.285 11.582 149 2HD LYS 15 2HD LYS 15 -3.017 -2.113 11.377 150 1HE LYS 15 1HE LYS 15 -5.168 -0.088 10.575 151 2HE LYS 15 2HE LYS 15 -4.063 0.032 11.945 152 1HZ LYS 15 3HZ LYS 15 -2.221 0.252 10.396 153 2HZ LYS 15 1HZ LYS 15 -3.244 0.181 9.102 154 3HZ LYS 15 2HZ LYS 15 -3.329 1.400 10.178 155 H TRP 16 H TRP 16 -1.205 -4.804 6.640 156 HA TRP 16 HA TRP 16 -3.390 -6.632 5.855 157 1HB TRP 16 1HB TRP 16 -0.369 -6.961 5.914 158 2HB TRP 16 2HB TRP 16 -1.506 -8.142 5.317 159 HD1 TRP 16 HD TRP 16 0.429 -5.142 4.168 160 HE1 TRP 16 1HE TRP 16 0.116 -4.844 1.676 161 HE3 TRP 16 3HE TRP 16 -3.439 -8.404 3.449 162 HZ2 TRP 16 2HZ TRP 16 -1.394 -6.071 -0.420 163 HZ3 TRP 16 3HZ TRP 16 -3.851 -9.221 1.141 164 HH2 TRP 16 HH TRP 16 -2.948 -7.974 -0.802 165 H GLY 17 H GLY 17 -3.846 -8.534 7.020 166 1HA GLY 17 1HA GLY 17 -2.941 -8.676 9.853 167 2HA GLY 17 2HA GLY 17 -4.347 -9.462 9.113 168 HA PRO 18 HA PRO 18 -0.423 -12.154 9.431 169 1HB PRO 18 1HB PRO 18 -1.386 -14.082 11.191 170 2HB PRO 18 2HB PRO 18 -0.464 -12.628 11.648 171 1HG PRO 18 1HG PRO 18 -3.459 -13.022 11.680 172 2HG PRO 18 2HG PRO 18 -2.428 -12.229 12.908 173 1HD PRO 18 1HD PRO 18 -3.832 -10.765 11.133 174 2HD PRO 18 2HD PRO 18 -2.176 -10.285 11.607 175 H ALA 19 H ALA 19 -3.787 -12.929 8.983 176 HA ALA 19 HA ALA 19 -3.324 -15.629 7.941 177 1HB ALA 19 2HB ALA 19 -5.774 -13.825 7.817 178 2HB ALA 19 3HB ALA 19 -5.722 -15.528 7.313 179 3HB ALA 19 1HB ALA 19 -5.460 -15.098 9.015 180 H SER 20 H SER 20 -4.414 -12.517 6.542 181 HA SER 20 HA SER 20 -3.917 -13.003 3.829 182 1HB SER 20 1HB SER 20 -3.735 -10.553 5.616 183 2HB SER 20 2HB SER 20 -3.278 -10.519 3.903 184 HG SER 20 HG SER 20 -5.860 -10.877 4.999 185 H GLN 21 H GLN 21 -1.535 -12.065 6.386 186 HA GLN 21 HA GLN 21 0.686 -11.724 4.714 187 1HB GLN 21 1HB GLN 21 0.375 -11.594 7.404 188 2HB GLN 21 2HB GLN 21 1.116 -13.179 7.297 189 1HG GLN 21 1HG GLN 21 2.967 -11.800 7.476 190 2HG GLN 21 2HG GLN 21 2.896 -12.178 5.778 191 1HE2 GLN 21 2HE2 GLN 21 1.447 -8.395 6.754 192 2HE2 GLN 21 1HE2 GLN 21 0.926 -9.811 7.652 193 H GLN 22 H GLN 22 -0.642 -14.660 6.112 194 HA GLN 22 HA GLN 22 1.370 -16.435 5.297 195 1HB GLN 22 1HB GLN 22 0.038 -18.050 6.193 196 2HB GLN 22 2HB GLN 22 -0.929 -16.685 6.742 197 1HG GLN 22 1HG GLN 22 -2.216 -17.041 4.434 198 2HG GLN 22 2HG GLN 22 -1.389 -18.598 4.424 199 1HE2 GLN 22 2HE2 GLN 22 -4.572 -19.427 5.906 200 2HE2 GLN 22 1HE2 GLN 22 -3.827 -19.148 4.340 201 H ILE 23 H ILE 23 -0.864 -14.763 3.282 202 HA ILE 23 HA ILE 23 -0.350 -16.580 0.971 203 HB ILE 23 HB ILE 23 -2.548 -14.732 1.838 204 1HG1 ILE 23 1HG1 ILE 23 -2.838 -17.346 0.359 205 2HG1 ILE 23 2HG1 ILE 23 -2.199 -17.418 2.000 206 1HG2 ILE 23 1HG2 ILE 23 -2.095 -15.508 -1.061 207 2HG2 ILE 23 2HG2 ILE 23 -3.569 -14.777 -0.380 208 3HG2 ILE 23 3HG2 ILE 23 -2.077 -13.859 -0.367 209 1HD1 ILE 23 3HD1 ILE 23 -4.787 -16.046 1.289 210 2HD1 ILE 23 1HD1 ILE 23 -4.606 -17.691 1.958 211 3HD1 ILE 23 2HD1 ILE 23 -4.083 -16.275 2.911 212 H LEU 24 H LEU 24 -0.112 -13.182 2.073 213 HA LEU 24 HA LEU 24 1.146 -12.071 -0.210 214 1HB LEU 24 1HB LEU 24 1.705 -11.702 2.776 215 2HB LEU 24 2HB LEU 24 2.454 -10.730 1.523 216 HG LEU 24 HG LEU 24 -0.523 -10.823 2.121 217 1HD1 LEU 24 3HD1 LEU 24 0.955 -9.594 3.721 218 2HD1 LEU 24 1HD1 LEU 24 1.589 -8.636 2.364 219 3HD1 LEU 24 2HD1 LEU 24 -0.112 -8.540 2.806 220 1HD2 LEU 24 1HD2 LEU 24 1.099 -9.674 -0.142 221 2HD2 LEU 24 2HD2 LEU 24 -0.491 -10.446 -0.198 222 3HD2 LEU 24 3HD2 LEU 24 -0.316 -8.794 0.428 223 H PHE 25 H PHE 25 2.635 -13.757 2.551 224 HA PHE 25 HA PHE 25 5.302 -13.667 1.517 225 1HB PHE 25 1HB PHE 25 5.801 -14.494 3.513 226 2HB PHE 25 2HB PHE 25 4.084 -14.520 3.910 227 HD1 PHE 25 2HD PHE 25 2.760 -16.496 3.538 228 HD2 PHE 25 1HD PHE 25 7.018 -16.563 3.093 229 HE1 PHE 25 2HE PHE 25 2.699 -18.992 3.506 230 HE2 PHE 25 1HE PHE 25 6.975 -19.030 3.037 231 HZ PHE 25 HZ PHE 25 4.828 -20.255 3.268 232 H GLN 26 H GLN 26 2.577 -15.979 1.115 233 HA GLN 26 HA GLN 26 4.209 -17.994 0.208 234 1HB GLN 26 1HB GLN 26 2.334 -19.289 -0.054 235 2HB GLN 26 2HB GLN 26 1.641 -17.971 0.860 236 1HG GLN 26 1HG GLN 26 0.826 -16.990 -1.325 237 2HG GLN 26 2HG GLN 26 1.427 -18.465 -2.091 238 1HE2 GLN 26 2HE2 GLN 26 -2.190 -19.023 -1.314 239 2HE2 GLN 26 1HE2 GLN 26 -1.301 -17.958 -2.387 240 H ALA 27 H ALA 27 2.520 -15.394 -1.518 241 HA ALA 27 HA ALA 27 3.312 -16.033 -4.197 242 1HB ALA 27 2HB ALA 27 2.671 -13.372 -2.897 243 2HB ALA 27 3HB ALA 27 2.836 -13.662 -4.633 244 3HB ALA 27 1HB ALA 27 1.531 -14.464 -3.733 245 H TYR 28 H TYR 28 4.806 -13.966 -1.627 246 HA TYR 28 HA TYR 28 6.971 -13.024 -3.149 247 1HB TYR 28 1HB TYR 28 6.221 -12.645 -0.595 248 2HB TYR 28 2HB TYR 28 7.499 -13.799 -0.290 249 HD1 TYR 28 2HD TYR 28 6.674 -10.468 -1.722 250 HD2 TYR 28 1HD TYR 28 9.860 -13.103 -0.511 251 HE1 TYR 28 2HE TYR 28 8.233 -8.559 -1.704 252 HE2 TYR 28 1HE TYR 28 11.403 -11.165 -0.414 253 HH TYR 28 HH TYR 28 11.609 -8.795 -0.586 254 H GLU 29 H GLU 29 6.602 -16.097 -1.385 255 HA GLU 29 HA GLU 29 9.181 -17.093 -1.815 256 1HB GLU 29 1HB GLU 29 7.333 -18.015 -0.284 257 2HB GLU 29 2HB GLU 29 6.674 -18.817 -1.716 258 1HG GLU 29 1HG GLU 29 8.043 -20.411 -0.610 259 2HG GLU 29 2HG GLU 29 8.966 -19.904 -2.028 260 H ARG 30 H ARG 30 6.170 -17.696 -3.713 261 HA ARG 30 HA ARG 30 7.612 -19.351 -5.538 262 1HB ARG 30 1HB ARG 30 5.517 -19.295 -6.941 263 2HB ARG 30 2HB ARG 30 5.366 -19.931 -5.302 264 1HG ARG 30 1HG ARG 30 3.970 -18.279 -4.604 265 2HG ARG 30 2HG ARG 30 4.808 -17.038 -5.556 266 1HD ARG 30 1HD ARG 30 2.588 -17.198 -6.419 267 2HD ARG 30 2HD ARG 30 3.758 -17.767 -7.583 268 HE ARG 30 HE ARG 30 3.068 -19.961 -7.400 269 1HH1 ARG 30 2HH2 ARG 30 1.027 -17.986 -5.295 270 2HH1 ARG 30 1HH2 ARG 30 -0.397 -18.972 -5.568 271 1HH2 ARG 30 2HH1 ARG 30 1.332 -21.109 -7.820 272 2HH2 ARG 30 1HH1 ARG 30 -0.271 -20.686 -7.279 273 H GLN 31 H GLN 31 6.599 -15.909 -5.765 274 HA GLN 31 HA GLN 31 8.767 -15.432 -7.572 275 1HB GLN 31 1HB GLN 31 7.495 -14.386 -9.384 276 2HB GLN 31 2HB GLN 31 7.365 -16.144 -9.324 277 1HG GLN 31 1HG GLN 31 5.112 -15.993 -8.361 278 2HG GLN 31 2HG GLN 31 5.179 -14.225 -8.405 279 1HE2 GLN 31 2HE2 GLN 31 3.731 -15.908 -11.639 280 2HE2 GLN 31 1HE2 GLN 31 3.488 -16.369 -9.975 281 H LYS 32 H LYS 32 9.455 -14.124 -5.926 282 HA LYS 32 HA LYS 32 8.230 -11.939 -4.729 283 1HB LYS 32 1HB LYS 32 10.325 -12.830 -4.185 284 2HB LYS 32 2HB LYS 32 11.029 -12.422 -5.777 285 1HG LYS 32 1HG LYS 32 10.857 -10.004 -5.127 286 2HG LYS 32 2HG LYS 32 10.215 -10.524 -3.565 287 1HD LYS 32 1HD LYS 32 13.016 -10.855 -4.714 288 2HD LYS 32 2HD LYS 32 12.515 -10.127 -3.205 289 1HE LYS 32 1HE LYS 32 13.565 -12.112 -2.563 290 2HE LYS 32 2HE LYS 32 11.855 -12.513 -2.406 291 1HZ LYS 32 2HZ LYS 32 13.615 -13.249 -4.665 292 2HZ LYS 32 3HZ LYS 32 13.197 -14.231 -3.433 293 3HZ LYS 32 1HZ LYS 32 12.056 -13.785 -4.481 294 H ASN 33 H ASN 33 9.215 -12.212 -8.114 295 HA ASN 33 HA ASN 33 8.549 -9.396 -8.744 296 1HB ASN 33 1HB ASN 33 9.356 -11.776 -10.412 297 2HB ASN 33 2HB ASN 33 8.782 -10.256 -11.103 298 1HD2 ASN 33 2HD2 ASN 33 12.626 -10.526 -9.956 299 2HD2 ASN 33 1HD2 ASN 33 11.481 -11.879 -9.746 300 HA PRO 34 HA PRO 34 4.241 -11.158 -9.042 301 1HB PRO 34 1HB PRO 34 2.969 -8.677 -9.267 302 2HB PRO 34 2HB PRO 34 3.354 -9.475 -7.725 303 1HG PRO 34 1HG PRO 34 5.018 -7.370 -9.107 304 2HG PRO 34 2HG PRO 34 4.499 -7.437 -7.394 305 1HD PRO 34 1HD PRO 34 6.925 -8.270 -8.047 306 2HD PRO 34 2HD PRO 34 5.939 -9.295 -6.957 307 H SER 35 H SER 35 3.467 -11.819 -10.961 308 HA SER 35 HA SER 35 4.268 -10.343 -13.434 309 1HB SER 35 1HB SER 35 3.873 -12.570 -14.507 310 2HB SER 35 2HB SER 35 5.225 -12.512 -13.357 311 HG SER 35 HG SER 35 4.150 -13.666 -11.936 312 H LYS 36 H LYS 36 1.793 -12.779 -13.099 313 HA LYS 36 HA LYS 36 -0.362 -10.821 -13.675 314 1HB LYS 36 1HB LYS 36 0.878 -12.441 -15.639 315 2HB LYS 36 2HB LYS 36 -0.652 -13.217 -15.370 316 1HG LYS 36 1HG LYS 36 -0.797 -10.219 -15.684 317 2HG LYS 36 2HG LYS 36 -0.135 -11.100 -17.044 318 1HD LYS 36 1HD LYS 36 -2.543 -10.864 -17.373 319 2HD LYS 36 2HD LYS 36 -2.040 -12.540 -17.208 320 1HE LYS 36 1HE LYS 36 -3.995 -12.474 -15.940 321 2HE LYS 36 2HE LYS 36 -2.724 -12.389 -14.731 322 1HZ LYS 36 1HZ LYS 36 -3.137 -9.880 -14.820 323 2HZ LYS 36 2HZ LYS 36 -4.496 -10.208 -15.619 324 3HZ LYS 36 3HZ LYS 36 -4.319 -10.856 -14.165 325 H GLU 37 H GLU 37 -0.606 -14.378 -13.764 326 HA GLU 37 HA GLU 37 -2.752 -14.863 -12.138 327 1HB GLU 37 1HB GLU 37 -1.231 -16.607 -13.266 328 2HB GLU 37 2HB GLU 37 -0.083 -16.333 -11.950 329 1HG GLU 37 1HG GLU 37 -2.205 -16.930 -10.410 330 2HG GLU 37 2HG GLU 37 -2.829 -17.627 -11.899 331 H GLU 38 H GLU 38 0.577 -14.549 -10.799 332 HA GLU 38 HA GLU 38 -0.095 -14.964 -8.205 333 1HB GLU 38 1HB GLU 38 2.152 -14.837 -8.987 334 2HB GLU 38 2HB GLU 38 2.023 -13.111 -9.363 335 1HG GLU 38 1HG GLU 38 1.416 -13.838 -6.531 336 2HG GLU 38 2HG GLU 38 3.074 -14.149 -7.064 337 H ARG 39 H ARG 39 -0.485 -11.780 -9.852 338 HA ARG 39 HA ARG 39 -1.189 -10.369 -7.459 339 1HB ARG 39 1HB ARG 39 -2.083 -9.980 -10.342 340 2HB ARG 39 2HB ARG 39 -2.365 -8.790 -9.072 341 1HG ARG 39 1HG ARG 39 -0.267 -7.952 -9.180 342 2HG ARG 39 2HG ARG 39 0.485 -9.544 -9.286 343 1HD ARG 39 1HD ARG 39 0.824 -8.133 -11.370 344 2HD ARG 39 2HD ARG 39 0.118 -9.722 -11.600 345 HE ARG 39 HE ARG 39 -2.008 -8.854 -12.099 346 1HH1 ARG 39 2HH2 ARG 39 0.404 -6.188 -11.944 347 2HH1 ARG 39 1HH2 ARG 39 -0.787 -4.996 -12.310 348 1HH2 ARG 39 2HH1 ARG 39 -3.239 -7.435 -13.157 349 2HH2 ARG 39 1HH1 ARG 39 -2.623 -5.851 -13.617 350 H GLU 40 H GLU 40 -3.084 -11.951 -9.999 351 HA GLU 40 HA GLU 40 -5.714 -11.630 -9.034 352 1HB GLU 40 1HB GLU 40 -5.179 -13.979 -10.626 353 2HB GLU 40 2HB GLU 40 -6.374 -12.666 -10.829 354 1HG GLU 40 1HG GLU 40 -4.319 -11.395 -11.779 355 2HG GLU 40 2HG GLU 40 -3.433 -12.908 -11.634 356 H THR 41 H THR 41 -3.664 -14.474 -8.668 357 HA THR 41 HA THR 41 -5.235 -15.868 -6.867 358 HB THR 41 HB THR 41 -2.700 -16.147 -8.112 359 HG1 THR 41 1HG THR 41 -4.458 -17.600 -7.655 360 1HG2 THR 41 3HG2 THR 41 -1.497 -15.253 -6.167 361 2HG2 THR 41 1HG2 THR 41 -2.246 -16.479 -5.133 362 3HG2 THR 41 2HG2 THR 41 -1.173 -16.940 -6.486 363 H LEU 42 H LEU 42 -2.743 -13.290 -6.121 364 HA LEU 42 HA LEU 42 -2.919 -13.698 -3.341 365 1HB LEU 42 1HB LEU 42 -2.120 -11.401 -5.148 366 2HB LEU 42 2HB LEU 42 -2.301 -11.132 -3.428 367 HG LEU 42 HG LEU 42 -0.484 -13.275 -4.607 368 1HD1 LEU 42 2HD1 LEU 42 0.202 -10.980 -5.193 369 2HD1 LEU 42 3HD1 LEU 42 0.175 -10.534 -3.462 370 3HD1 LEU 42 1HD1 LEU 42 1.332 -11.735 -4.064 371 1HD2 LEU 42 1HD2 LEU 42 -1.036 -12.253 -1.787 372 2HD2 LEU 42 2HD2 LEU 42 -0.953 -13.935 -2.380 373 3HD2 LEU 42 3HD2 LEU 42 0.516 -12.989 -2.208 374 H VAL 43 H VAL 43 -4.778 -11.449 -5.463 375 HA VAL 43 HA VAL 43 -6.264 -10.421 -3.221 376 HB VAL 43 HB VAL 43 -7.029 -10.431 -6.174 377 1HG1 VAL 43 2HG1 VAL 43 -8.048 -8.913 -3.709 378 2HG1 VAL 43 3HG1 VAL 43 -8.451 -8.475 -5.383 379 3HG1 VAL 43 1HG1 VAL 43 -8.979 -10.031 -4.730 380 1HG2 VAL 43 1HG2 VAL 43 -5.667 -8.322 -4.421 381 2HG2 VAL 43 2HG2 VAL 43 -4.896 -9.215 -5.746 382 3HG2 VAL 43 3HG2 VAL 43 -6.209 -8.088 -6.095 383 H GLU 44 H GLU 44 -6.833 -13.149 -5.442 384 HA GLU 44 HA GLU 44 -9.458 -13.848 -4.604 385 1HB GLU 44 1HB GLU 44 -8.175 -14.597 -6.660 386 2HB GLU 44 2HB GLU 44 -7.151 -15.572 -5.618 387 1HG GLU 44 1HG GLU 44 -8.486 -17.245 -5.960 388 2HG GLU 44 2HG GLU 44 -9.686 -16.458 -4.935 389 H GLU 45 H GLU 45 -6.380 -15.437 -3.687 390 HA GLU 45 HA GLU 45 -7.469 -17.071 -1.708 391 1HB GLU 45 1HB GLU 45 -4.846 -16.432 -2.718 392 2HB GLU 45 2HB GLU 45 -4.784 -16.540 -0.963 393 1HG GLU 45 1HG GLU 45 -5.960 -18.699 -2.721 394 2HG GLU 45 2HG GLU 45 -4.282 -18.651 -2.179 395 H CYS 46 H CYS 46 -6.044 -13.775 -1.574 396 HA CYS 46 HA CYS 46 -6.185 -13.412 1.230 397 1HB CYS 46 1HB CYS 46 -5.127 -11.677 -0.227 398 2HB CYS 46 2HB CYS 46 -6.710 -11.305 -0.926 399 HG CYS 46 HG CYS 46 -5.998 -11.352 2.306 400 H ASN 47 H ASN 47 -8.653 -12.690 -1.300 401 HA ASN 47 HA ASN 47 -10.724 -11.726 0.341 402 1HB ASN 47 1HB ASN 47 -10.562 -13.010 -2.360 403 2HB ASN 47 2HB ASN 47 -12.086 -13.223 -1.559 404 1HD2 ASN 47 2HD2 ASN 47 -10.995 -9.600 -3.082 405 2HD2 ASN 47 1HD2 ASN 47 -9.796 -10.859 -2.792 406 H ARG 48 H ARG 48 -9.961 -15.100 -0.565 407 HA ARG 48 HA ARG 48 -12.075 -16.334 0.863 408 1HB ARG 48 1HB ARG 48 -10.651 -17.385 -0.895 409 2HB ARG 48 2HB ARG 48 -9.287 -17.436 0.225 410 1HG ARG 48 1HG ARG 48 -10.529 -18.929 1.730 411 2HG ARG 48 2HG ARG 48 -11.974 -18.776 0.715 412 1HD ARG 48 1HD ARG 48 -10.972 -20.863 0.214 413 2HD ARG 48 2HD ARG 48 -10.694 -19.806 -1.193 414 HE ARG 48 HE ARG 48 -8.350 -19.453 0.165 415 1HH1 ARG 48 2HH2 ARG 48 -10.027 -22.198 -1.188 416 2HH1 ARG 48 1HH2 ARG 48 -8.649 -23.260 -1.159 417 1HH2 ARG 48 2HH1 ARG 48 -6.516 -20.794 0.238 418 2HH2 ARG 48 1HH1 ARG 48 -6.555 -22.406 -0.333 419 H ALA 49 H ALA 49 -8.641 -16.005 1.813 420 HA ALA 49 HA ALA 49 -8.883 -17.025 4.425 421 1HB ALA 49 3HB ALA 49 -6.748 -16.709 3.248 422 2HB ALA 49 1HB ALA 49 -6.928 -14.944 3.359 423 3HB ALA 49 2HB ALA 49 -6.720 -15.912 4.835 424 H GLU 50 H GLU 50 -9.500 -13.733 3.206 425 HA GLU 50 HA GLU 50 -9.327 -12.565 5.835 426 1HB GLU 50 1HB GLU 50 -8.492 -11.483 3.752 427 2HB GLU 50 2HB GLU 50 -10.174 -11.227 3.291 428 1HG GLU 50 1HG GLU 50 -9.907 -9.267 4.355 429 2HG GLU 50 2HG GLU 50 -10.090 -10.159 5.880 430 H CYS 51 H CYS 51 -11.811 -13.795 3.644 431 HA CYS 51 HA CYS 51 -14.009 -12.946 5.315 432 1HB CYS 51 1HB CYS 51 -15.359 -13.853 3.792 433 2HB CYS 51 2HB CYS 51 -13.927 -13.972 2.790 434 HG CYS 51 HG CYS 51 -13.384 -16.429 3.398 435 H ILE 52 H ILE 52 -11.877 -15.852 5.229 436 HA ILE 52 HA ILE 52 -13.594 -17.444 6.867 437 HB ILE 52 HB ILE 52 -10.670 -17.649 6.076 438 1HG1 ILE 52 1HG1 ILE 52 -13.110 -19.388 5.459 439 2HG1 ILE 52 2HG1 ILE 52 -12.556 -18.081 4.422 440 1HG2 ILE 52 2HG2 ILE 52 -12.243 -19.611 7.805 441 2HG2 ILE 52 3HG2 ILE 52 -10.645 -19.924 7.095 442 3HG2 ILE 52 1HG2 ILE 52 -10.818 -18.680 8.314 443 1HD1 ILE 52 2HD1 ILE 52 -10.339 -19.235 4.182 444 2HD1 ILE 52 3HD1 ILE 52 -11.026 -20.631 5.047 445 3HD1 ILE 52 1HD1 ILE 52 -11.725 -20.121 3.509 446 H GLN 53 H GLN 53 -10.822 -15.389 7.540 447 HA GLN 53 HA GLN 53 -10.625 -15.909 10.334 448 1HB GLN 53 1HB GLN 53 -9.473 -13.724 10.534 449 2HB GLN 53 2HB GLN 53 -8.874 -14.689 9.171 450 1HG GLN 53 1HG GLN 53 -10.266 -13.445 7.636 451 2HG GLN 53 2HG GLN 53 -10.981 -12.494 8.924 452 1HE2 GLN 53 2HE2 GLN 53 -7.402 -11.547 7.294 453 2HE2 GLN 53 1HE2 GLN 53 -7.813 -13.244 7.452 454 H ARG 54 H ARG 54 -13.326 -14.447 8.781 455 HA ARG 54 HA ARG 54 -14.307 -13.332 11.392 456 1HB ARG 54 1HB ARG 54 -14.794 -12.443 8.543 457 2HB ARG 54 2HB ARG 54 -15.674 -11.795 9.935 458 1HG ARG 54 1HG ARG 54 -13.873 -10.604 10.761 459 2HG ARG 54 2HG ARG 54 -12.683 -11.676 10.043 460 1HD ARG 54 1HD ARG 54 -13.595 -10.819 7.731 461 2HD ARG 54 2HD ARG 54 -14.217 -9.451 8.642 462 HE ARG 54 HE ARG 54 -11.500 -10.185 7.885 463 1HH1 ARG 54 2HH2 ARG 54 -13.349 -8.430 10.287 464 2HH1 ARG 54 1HH2 ARG 54 -12.072 -7.362 10.787 465 1HH2 ARG 54 2HH1 ARG 54 -9.677 -9.080 8.779 466 2HH2 ARG 54 1HH1 ARG 54 -9.879 -7.683 9.799 467 H GLY 55 H GLY 55 -14.552 -16.001 9.469 468 1HA GLY 55 1HA GLY 55 -16.207 -17.394 8.760 469 2HA GLY 55 2HA GLY 55 -17.125 -16.849 10.176 470 H VAL 56 H VAL 56 -16.077 -14.833 7.393 471 HA VAL 56 HA VAL 56 -18.862 -13.946 6.996 472 HB VAL 56 HB VAL 56 -16.199 -13.226 5.771 473 1HG1 VAL 56 2HG1 VAL 56 -18.931 -12.291 4.771 474 2HG1 VAL 56 3HG1 VAL 56 -17.382 -11.520 4.378 475 3HG1 VAL 56 1HG1 VAL 56 -17.694 -13.172 3.847 476 1HG2 VAL 56 2HG2 VAL 56 -17.003 -12.213 7.927 477 2HG2 VAL 56 3HG2 VAL 56 -16.707 -11.039 6.616 478 3HG2 VAL 56 1HG2 VAL 56 -18.371 -11.527 7.024 479 H SER 57 H SER 57 -20.129 -14.493 5.272 480 HA SER 57 HA SER 57 -20.022 -17.014 4.085 481 1HB SER 57 1HB SER 57 -21.572 -14.589 3.983 482 2HB SER 57 2HB SER 57 -21.384 -15.210 2.341 483 HG SER 57 HG SER 57 -23.197 -16.139 3.483 484 HA PRO 58 HA PRO 58 -16.453 -15.901 1.515 485 1HB PRO 58 1HB PRO 58 -16.368 -18.050 -0.245 486 2HB PRO 58 2HB PRO 58 -15.763 -18.076 1.434 487 1HG PRO 58 1HG PRO 58 -18.450 -19.031 0.426 488 2HG PRO 58 2HG PRO 58 -17.337 -19.867 1.547 489 1HD PRO 58 1HD PRO 58 -19.465 -18.471 2.463 490 2HD PRO 58 2HD PRO 58 -17.906 -18.383 3.337 491 H SER 59 H SER 59 -19.508 -16.883 -0.023 492 HA SER 59 HA SER 59 -19.178 -15.690 -2.579 493 1HB SER 59 1HB SER 59 -21.790 -15.518 -2.188 494 2HB SER 59 2HB SER 59 -21.010 -17.104 -2.337 495 HG SER 59 HG SER 59 -22.372 -17.015 -0.477 496 H GLN 60 H GLN 60 -19.900 -14.389 0.617 497 HA GLN 60 HA GLN 60 -20.268 -11.661 -0.492 498 1HB GLN 60 1HB GLN 60 -22.055 -12.909 1.080 499 2HB GLN 60 2HB GLN 60 -20.900 -12.513 2.350 500 1HG GLN 60 1HG GLN 60 -21.095 -10.045 1.446 501 2HG GLN 60 2HG GLN 60 -22.469 -10.647 0.517 502 1HE2 GLN 60 2HE2 GLN 60 -22.712 -10.521 4.649 503 2HE2 GLN 60 1HE2 GLN 60 -21.140 -10.726 3.878 504 H ALA 61 H ALA 61 -17.663 -13.067 -0.147 505 HA ALA 61 HA ALA 61 -16.431 -12.207 2.248 506 1HB ALA 61 2HB ALA 61 -15.071 -12.473 -0.468 507 2HB ALA 61 3HB ALA 61 -14.256 -12.327 1.093 508 3HB ALA 61 1HB ALA 61 -15.242 -13.753 0.758 509 H GLN 62 H GLN 62 -17.314 -10.359 -0.556 510 HA GLN 62 HA GLN 62 -15.545 -8.219 0.019 511 1HB GLN 62 1HB GLN 62 -17.585 -8.836 -1.996 512 2HB GLN 62 2HB GLN 62 -18.054 -7.312 -1.276 513 1HG GLN 62 1HG GLN 62 -16.815 -6.887 -3.271 514 2HG GLN 62 2HG GLN 62 -15.884 -6.313 -1.892 515 1HE2 GLN 62 2HE2 GLN 62 -14.111 -9.807 -2.752 516 2HE2 GLN 62 1HE2 GLN 62 -15.678 -9.732 -2.003 517 H GLY 63 H GLY 63 -18.304 -9.092 1.781 518 1HA GLY 63 1HA GLY 63 -19.188 -6.679 2.936 519 2HA GLY 63 2HA GLY 63 -18.994 -8.231 3.776 520 H LEU 64 H LEU 64 -16.125 -8.387 3.223 521 HA LEU 64 HA LEU 64 -14.665 -7.342 5.214 522 1HB LEU 64 1HB LEU 64 -14.175 -7.649 2.239 523 2HB LEU 64 2HB LEU 64 -12.865 -7.099 3.280 524 HG LEU 64 HG LEU 64 -14.344 -9.710 3.874 525 1HD1 LEU 64 1HD1 LEU 64 -13.181 -9.800 1.585 526 2HD1 LEU 64 2HD1 LEU 64 -11.685 -9.305 2.394 527 3HD1 LEU 64 3HD1 LEU 64 -12.459 -10.854 2.798 528 1HD2 LEU 64 2HD2 LEU 64 -11.857 -8.366 4.820 529 2HD2 LEU 64 3HD2 LEU 64 -13.292 -8.884 5.753 530 3HD2 LEU 64 1HD2 LEU 64 -12.232 -10.103 5.028 531 H GLY 65 H GLY 65 -15.655 -5.456 2.372 532 1HA GLY 65 1HA GLY 65 -15.297 -3.272 1.761 533 2HA GLY 65 2HA GLY 65 -16.065 -3.044 3.333 534 H SER 66 H SER 66 -14.745 -2.493 5.127 535 HA SER 66 HA SER 66 -12.798 -0.512 4.704 536 1HB SER 66 1HB SER 66 -14.192 -0.937 6.794 537 2HB SER 66 2HB SER 66 -13.070 -2.241 7.204 538 HG SER 66 HG SER 66 -12.577 -0.168 8.159 539 H ASN 67 H ASN 67 -12.384 -3.962 5.565 540 HA ASN 67 HA ASN 67 -9.440 -3.758 5.692 541 1HB ASN 67 1HB ASN 67 -11.296 -6.180 5.619 542 2HB ASN 67 2HB ASN 67 -9.549 -6.231 5.885 543 1HD2 ASN 67 2HD2 ASN 67 -10.028 -4.414 9.148 544 2HD2 ASN 67 1HD2 ASN 67 -9.097 -4.143 7.688 545 H LEU 68 H LEU 68 -11.951 -4.826 3.439 546 HA LEU 68 HA LEU 68 -10.987 -6.666 1.941 547 1HB LEU 68 1HB LEU 68 -13.088 -5.539 1.382 548 2HB LEU 68 2HB LEU 68 -12.199 -4.193 0.665 549 HG LEU 68 HG LEU 68 -11.153 -6.555 -0.582 550 1HD1 LEU 68 3HD1 LEU 68 -12.955 -7.813 0.402 551 2HD1 LEU 68 1HD1 LEU 68 -14.104 -6.750 -0.465 552 3HD1 LEU 68 2HD1 LEU 68 -12.941 -7.791 -1.355 553 1HD2 LEU 68 2HD2 LEU 68 -11.554 -4.321 -1.606 554 2HD2 LEU 68 3HD2 LEU 68 -12.156 -5.677 -2.578 555 3HD2 LEU 68 1HD2 LEU 68 -13.294 -4.681 -1.631 556 H VAL 69 H VAL 69 -9.280 -7.177 0.908 557 HA VAL 69 HA VAL 69 -7.158 -5.331 0.167 558 HB VAL 69 HB VAL 69 -7.612 -8.321 0.130 559 1HG1 VAL 69 3HG1 VAL 69 -5.132 -6.879 -0.851 560 2HG1 VAL 69 1HG1 VAL 69 -5.297 -8.629 -0.582 561 3HG1 VAL 69 2HG1 VAL 69 -6.230 -7.857 -1.853 562 1HG2 VAL 69 1HG2 VAL 69 -7.163 -7.134 2.303 563 2HG2 VAL 69 2HG2 VAL 69 -5.798 -8.146 1.888 564 3HG2 VAL 69 3HG2 VAL 69 -5.704 -6.419 1.587 565 H THR 70 H THR 70 -6.282 -5.373 -2.023 566 HA THR 70 HA THR 70 -8.173 -5.567 -4.215 567 HB THR 70 HB THR 70 -8.096 -3.100 -4.673 568 HG1 THR 70 1HG THR 70 -6.990 -3.137 -2.065 569 1HG2 THR 70 1HG2 THR 70 -10.039 -4.031 -3.403 570 2HG2 THR 70 2HG2 THR 70 -9.226 -3.631 -1.881 571 3HG2 THR 70 3HG2 THR 70 -9.680 -2.337 -2.984 572 H GLU 71 H GLU 71 -7.022 -4.483 -6.176 573 HA GLU 71 HA GLU 71 -4.710 -6.049 -6.545 574 1HB GLU 71 1HB GLU 71 -5.909 -3.689 -8.154 575 2HB GLU 71 2HB GLU 71 -4.607 -4.753 -8.693 576 1HG GLU 71 1HG GLU 71 -6.684 -5.639 -9.620 577 2HG GLU 71 2HG GLU 71 -6.112 -6.770 -8.377 578 H VAL 72 H VAL 72 -5.180 -2.532 -6.330 579 HA VAL 72 HA VAL 72 -2.500 -1.693 -6.270 580 HB VAL 72 HB VAL 72 -4.473 -0.235 -6.548 581 1HG1 VAL 72 3HG1 VAL 72 -5.932 -1.179 -4.763 582 2HG1 VAL 72 1HG1 VAL 72 -4.858 -0.497 -3.522 583 3HG1 VAL 72 2HG1 VAL 72 -5.741 0.572 -4.621 584 1HG2 VAL 72 2HG2 VAL 72 -2.249 0.699 -5.939 585 2HG2 VAL 72 3HG2 VAL 72 -3.621 1.668 -5.355 586 3HG2 VAL 72 1HG2 VAL 72 -2.706 0.659 -4.226 587 H ARG 73 H ARG 73 -4.340 -3.378 -3.790 588 HA ARG 73 HA ARG 73 -2.772 -2.401 -1.567 589 1HB ARG 73 1HB ARG 73 -5.165 -3.698 -1.728 590 2HB ARG 73 2HB ARG 73 -4.091 -5.042 -1.357 591 1HG ARG 73 1HG ARG 73 -4.903 -4.259 0.697 592 2HG ARG 73 2HG ARG 73 -3.238 -3.700 0.594 593 1HD ARG 73 1HD ARG 73 -4.700 -1.914 1.493 594 2HD ARG 73 2HD ARG 73 -3.991 -1.430 -0.014 595 HE ARG 73 HE ARG 73 -6.149 -1.216 -0.899 596 1HH1 ARG 73 2HH2 ARG 73 -6.299 -3.292 1.980 597 2HH1 ARG 73 1HH2 ARG 73 -8.026 -3.431 1.946 598 1HH2 ARG 73 2HH1 ARG 73 -8.359 -1.189 -0.829 599 2HH2 ARG 73 1HH1 ARG 73 -9.201 -2.331 0.229 600 H VAL 74 H VAL 74 -2.935 -5.411 -3.486 601 HA VAL 74 HA VAL 74 -0.603 -6.696 -2.493 602 HB VAL 74 HB VAL 74 -2.023 -6.732 -5.198 603 1HG1 VAL 74 1HG1 VAL 74 0.301 -8.425 -4.253 604 2HG1 VAL 74 2HG1 VAL 74 -0.767 -8.854 -5.609 605 3HG1 VAL 74 3HG1 VAL 74 0.229 -7.404 -5.705 606 1HG2 VAL 74 2HG2 VAL 74 -3.304 -7.633 -3.274 607 2HG2 VAL 74 3HG2 VAL 74 -2.846 -8.901 -4.418 608 3HG2 VAL 74 1HG2 VAL 74 -1.948 -8.723 -2.899 609 H TYR 75 H TYR 75 -1.059 -4.532 -5.315 610 HA TYR 75 HA TYR 75 1.552 -4.356 -6.126 611 1HB TYR 75 1HB TYR 75 -0.636 -3.251 -7.065 612 2HB TYR 75 2HB TYR 75 -0.143 -1.847 -6.118 613 HD1 TYR 75 2HD TYR 75 0.643 -4.094 -8.932 614 HD2 TYR 75 1HD TYR 75 1.996 -0.662 -6.709 615 HE1 TYR 75 2HE TYR 75 2.442 -3.723 -10.589 616 HE2 TYR 75 1HE TYR 75 3.737 -0.240 -8.429 617 HH TYR 75 HH TYR 75 4.651 -2.730 -10.535 618 H ASN 76 H ASN 76 0.010 -2.307 -3.585 619 HA ASN 76 HA ASN 76 2.448 -0.880 -3.101 620 1HB ASN 76 1HB ASN 76 1.487 0.335 -1.500 621 2HB ASN 76 2HB ASN 76 0.112 -0.054 -2.521 622 1HD2 ASN 76 2HD2 ASN 76 -1.644 -1.256 0.282 623 2HD2 ASN 76 1HD2 ASN 76 -1.651 -0.658 -1.378 624 H TRP 77 H TRP 77 1.109 -3.869 -1.661 625 HA TRP 77 HA TRP 77 2.935 -3.969 0.522 626 1HB TRP 77 1HB TRP 77 1.768 -5.758 1.000 627 2HB TRP 77 2HB TRP 77 0.925 -5.687 -0.547 628 HD1 TRP 77 HD TRP 77 1.667 -7.473 -2.366 629 HE1 TRP 77 1HE TRP 77 3.137 -9.522 -2.357 630 HE3 TRP 77 3HE TRP 77 3.757 -6.916 2.279 631 HZ2 TRP 77 2HZ TRP 77 4.840 -10.894 -0.503 632 HZ3 TRP 77 3HZ TRP 77 5.179 -8.723 3.197 633 HH2 TRP 77 HH TRP 77 5.818 -10.664 1.774 634 H PHE 78 H PHE 78 3.176 -5.441 -2.753 635 HA PHE 78 HA PHE 78 5.853 -6.344 -2.438 636 1HB PHE 78 1HB PHE 78 4.212 -5.595 -4.893 637 2HB PHE 78 2HB PHE 78 5.878 -6.145 -5.007 638 HD1 PHE 78 2HD PHE 78 6.540 -8.320 -3.750 639 HD2 PHE 78 1HD PHE 78 2.609 -7.357 -5.235 640 HE1 PHE 78 2HE PHE 78 5.962 -10.731 -3.877 641 HE2 PHE 78 1HE PHE 78 2.129 -9.780 -5.384 642 HZ PHE 78 HZ PHE 78 3.697 -11.434 -4.443 643 H ALA 79 H ALA 79 4.578 -3.345 -3.880 644 HA ALA 79 HA ALA 79 7.056 -2.212 -4.596 645 1HB ALA 79 1HB ALA 79 4.806 -1.537 -5.414 646 2HB ALA 79 2HB ALA 79 4.534 -0.752 -3.838 647 3HB ALA 79 3HB ALA 79 5.825 -0.196 -4.926 648 H ASN 80 H ASN 80 5.534 -2.461 -1.439 649 HA ASN 80 HA ASN 80 7.399 -0.527 -0.224 650 1HB ASN 80 1HB ASN 80 5.130 -2.244 0.854 651 2HB ASN 80 2HB ASN 80 6.255 -1.373 1.910 652 1HD2 ASN 80 2HD2 ASN 80 3.344 0.859 1.556 653 2HD2 ASN 80 1HD2 ASN 80 3.548 -0.785 2.123 654 H ARG 81 H ARG 81 6.868 -4.084 -0.272 655 HA ARG 81 HA ARG 81 8.987 -4.740 1.511 656 1HB ARG 81 1HB ARG 81 7.789 -6.196 -0.879 657 2HB ARG 81 2HB ARG 81 9.143 -6.866 0.025 658 1HG ARG 81 1HG ARG 81 6.484 -6.136 1.297 659 2HG ARG 81 2HG ARG 81 6.898 -7.739 0.687 660 1HD ARG 81 1HD ARG 81 8.458 -6.308 2.887 661 2HD ARG 81 2HD ARG 81 7.208 -7.490 3.170 662 HE ARG 81 HE ARG 81 8.525 -9.233 2.212 663 1HH1 ARG 81 2HH2 ARG 81 10.490 -6.433 3.207 664 2HH1 ARG 81 1HH2 ARG 81 11.949 -7.131 2.537 665 1HH2 ARG 81 2HH1 ARG 81 10.409 -10.227 1.884 666 2HH2 ARG 81 1HH1 ARG 81 11.908 -9.323 1.709 667 H ARG 82 H ARG 82 8.988 -4.206 -2.012 668 HA ARG 82 HA ARG 82 11.614 -4.438 -2.758 669 1HB ARG 82 1HB ARG 82 9.650 -2.166 -3.229 670 2HB ARG 82 2HB ARG 82 11.221 -2.201 -4.007 671 1HG ARG 82 1HG ARG 82 9.669 -4.729 -4.309 672 2HG ARG 82 2HG ARG 82 8.907 -3.294 -5.014 673 1HD ARG 82 1HD ARG 82 10.945 -2.713 -6.215 674 2HD ARG 82 2HD ARG 82 11.762 -4.178 -5.610 675 HE ARG 82 HE ARG 82 9.285 -4.833 -6.940 676 1HH1 ARG 82 2HH2 ARG 82 12.498 -3.584 -7.802 677 2HH1 ARG 82 1HH2 ARG 82 12.568 -4.471 -9.304 678 1HH2 ARG 82 2HH1 ARG 82 9.169 -5.575 -8.920 679 2HH2 ARG 82 1HH1 ARG 82 10.460 -5.428 -10.114 680 H LYS 83 H LYS 83 10.197 -1.679 -0.952 681 HA LYS 83 HA LYS 83 12.749 -0.358 -0.880 682 1HB LYS 83 1HB LYS 83 10.564 0.839 -1.168 683 2HB LYS 83 2HB LYS 83 10.058 0.302 0.437 684 1HG LYS 83 1HG LYS 83 10.771 2.619 0.412 685 2HG LYS 83 2HG LYS 83 11.763 1.667 1.509 686 1HD LYS 83 1HD LYS 83 13.673 1.848 0.241 687 2HD LYS 83 2HD LYS 83 12.811 1.931 -1.311 688 1HE LYS 83 1HE LYS 83 12.657 4.185 0.722 689 2HE LYS 83 2HE LYS 83 13.944 4.110 -0.487 690 1HZ LYS 83 2HZ LYS 83 11.075 4.103 -1.210 691 2HZ LYS 83 3HZ LYS 83 12.073 5.418 -1.191 692 3HZ LYS 83 1HZ LYS 83 12.352 4.161 -2.216 693 H GLU 84 H GLU 84 10.808 -2.163 1.448 694 HA GLU 84 HA GLU 84 12.440 -1.733 3.743 695 1HB GLU 84 1HB GLU 84 10.209 -3.038 3.544 696 2HB GLU 84 2HB GLU 84 11.198 -4.368 2.917 697 1HG GLU 84 1HG GLU 84 12.605 -4.059 5.091 698 2HG GLU 84 2HG GLU 84 11.244 -3.102 5.686 699 H GLU 85 H GLU 85 12.756 -3.824 0.878 700 HA GLU 85 HA GLU 85 15.016 -5.303 1.937 701 1HB GLU 85 1HB GLU 85 13.285 -5.595 -0.329 702 2HB GLU 85 2HB GLU 85 14.892 -5.270 -0.983 703 1HG GLU 85 1HG GLU 85 14.884 -7.557 -0.796 704 2HG GLU 85 2HG GLU 85 15.741 -7.076 0.660 705 H ALA 86 H ALA 86 14.588 -2.729 -0.477 706 HA ALA 86 HA ALA 86 17.196 -2.221 -1.144 707 1HB ALA 86 1HB ALA 86 15.121 -1.228 -2.107 708 2HB ALA 86 2HB ALA 86 15.138 -0.053 -0.761 709 3HB ALA 86 3HB ALA 86 16.483 -0.138 -1.922 710 H PHE 87 H PHE 87 15.404 -0.999 1.629 711 HA PHE 87 HA PHE 87 17.323 0.755 2.765 712 1HB PHE 87 1HB PHE 87 15.187 1.012 3.476 713 2HB PHE 87 2HB PHE 87 14.874 -0.700 3.644 714 HD1 PHE 87 2HD PHE 87 15.712 -2.034 5.590 715 HD2 PHE 87 1HD PHE 87 15.867 2.281 5.446 716 HE1 PHE 87 2HE PHE 87 16.163 -1.949 8.036 717 HE2 PHE 87 1HE PHE 87 16.153 2.335 7.914 718 HZ PHE 87 HZ PHE 87 16.462 0.221 9.180 719 H ARG 88 H ARG 88 17.051 -2.781 2.966 720 HA ARG 88 HA ARG 88 19.300 -3.074 4.855 721 1HB ARG 88 1HB ARG 88 17.560 -4.706 5.038 722 2HB ARG 88 2HB ARG 88 17.516 -4.975 3.309 723 1HG ARG 88 1HG ARG 88 18.555 -6.821 4.432 724 2HG ARG 88 2HG ARG 88 19.643 -6.072 3.271 725 1HD ARG 88 1HD ARG 88 20.820 -6.705 5.276 726 2HD ARG 88 2HD ARG 88 20.889 -4.965 5.130 727 HE ARG 88 HE ARG 88 18.885 -4.914 6.727 728 1HH1 ARG 88 2HH2 ARG 88 21.586 -7.272 7.027 729 2HH1 ARG 88 1HH2 ARG 88 21.573 -7.167 8.746 730 1HH2 ARG 88 2HH1 ARG 88 18.508 -5.370 8.898 731 2HH2 ARG 88 1HH1 ARG 88 19.658 -6.329 9.797 732 H HIS 89 H HIS 89 18.627 -3.188 1.396 733 HA HIS 89 HA HIS 89 21.048 -4.520 0.682 734 1HB HIS 89 1HB HIS 89 18.814 -4.516 -0.496 735 2HB HIS 89 2HB HIS 89 19.166 -2.879 -1.035 736 HD1 HIS 89 1HD HIS 89 21.240 -6.160 -1.147 737 HD2 HIS 89 2HD HIS 89 19.824 -3.011 -3.540 738 HE1 HIS 89 1HE HIS 89 21.900 -6.716 -3.529 739 H LYS 90 H LYS 90 20.577 -1.384 1.742 740 HA LYS 90 HA LYS 90 22.919 -0.385 0.176 741 1HB LYS 90 1HB LYS 90 22.546 1.791 1.063 742 2HB LYS 90 2HB LYS 90 21.081 1.178 0.312 743 1HG LYS 90 1HG LYS 90 20.028 0.767 2.416 744 2HG LYS 90 2HG LYS 90 21.525 1.012 3.321 745 1HD LYS 90 1HD LYS 90 20.077 3.196 1.766 746 2HD LYS 90 2HD LYS 90 19.961 2.901 3.508 747 1HE LYS 90 1HE LYS 90 22.567 3.192 3.520 748 2HE LYS 90 2HE LYS 90 22.358 3.906 1.909 749 1HZ LYS 90 1HZ LYS 90 20.820 5.508 2.956 750 2HZ LYS 90 2HZ LYS 90 21.172 4.838 4.428 751 3HZ LYS 90 3HZ LYS 90 22.349 5.591 3.579 752 H LEU 91 H LEU 91 23.021 -2.543 2.448 753 HA LEU 91 HA LEU 91 25.435 -1.566 3.455 754 1HB LEU 91 1HB LEU 91 24.775 -1.631 5.848 755 2HB LEU 91 2HB LEU 91 23.919 -0.369 5.019 756 HG LEU 91 HG LEU 91 22.575 -3.087 5.137 757 1HD1 LEU 91 1HD1 LEU 91 23.472 -2.838 7.387 758 2HD1 LEU 91 2HD1 LEU 91 22.709 -1.224 7.484 759 3HD1 LEU 91 3HD1 LEU 91 21.704 -2.694 7.335 760 1HD2 LEU 91 3HD2 LEU 91 21.695 -0.183 5.413 761 2HD2 LEU 91 1HD2 LEU 91 21.358 -1.238 4.048 762 3HD2 LEU 91 2HD2 LEU 91 20.623 -1.563 5.633 763 H ALA 92 H ALA 92 25.425 -3.492 5.729 764 HA ALA 92 HA ALA 92 25.927 -5.647 6.073 765 1HB ALA 92 3HB ALA 92 23.450 -5.820 5.895 766 2HB ALA 92 1HB ALA 92 23.615 -6.216 4.167 767 3HB ALA 92 2HB ALA 92 24.281 -7.302 5.396 768 H MET 93 H MET 93 27.376 -4.314 4.033 769 HA MET 93 HA MET 93 28.715 -4.567 2.278 770 1HB MET 93 1HB MET 93 29.029 -6.965 3.941 771 2HB MET 93 2HB MET 93 29.491 -7.316 2.284 772 1HG MET 93 1HG MET 93 30.563 -5.055 3.973 773 2HG MET 93 2HG MET 93 31.383 -6.574 3.612 774 1HE MET 93 2HE MET 93 33.575 -5.351 2.809 775 2HE MET 93 3HE MET 93 33.577 -4.053 1.600 776 3HE MET 93 1HE MET 93 32.837 -3.779 3.195 777 H ASP 94 H ASP 94 25.766 -5.296 1.823 778 HA ASP 94 HA ASP 94 25.710 -7.045 -0.401 779 1HB ASP 94 1HB ASP 94 23.961 -4.670 0.345 780 2HB ASP 94 2HB ASP 94 23.754 -5.542 -1.171 781 H THR 95 H THR 95 26.982 -3.796 -0.159 782 HA THR 95 HA THR 95 28.470 -2.749 -1.495 783 HB THR 95 HB THR 95 28.264 -5.008 -3.528 784 HG1 THR 95 1HG THR 95 28.795 -5.741 -1.371 785 1HG2 THR 95 3HG2 THR 95 30.510 -3.068 -2.864 786 2HG2 THR 95 1HG2 THR 95 30.556 -4.389 -4.047 787 3HG2 THR 95 2HG2 THR 95 29.483 -3.006 -4.318 788 H TYR 96 H TYR 96 25.612 -4.022 -3.119 789 HA TYR 96 HA TYR 96 25.044 -1.941 -4.964 790 1HB TYR 96 1HB TYR 96 23.376 -3.729 -3.141 791 2HB TYR 96 2HB TYR 96 22.660 -2.700 -4.357 792 HD1 TYR 96 2HD TYR 96 23.177 -3.055 -6.857 793 HD2 TYR 96 1HD TYR 96 24.215 -5.851 -3.750 794 HE1 TYR 96 2HE TYR 96 23.012 -4.934 -8.463 795 HE2 TYR 96 1HE TYR 96 24.156 -7.688 -5.347 796 HH TYR 96 HH TYR 96 23.512 -8.333 -7.416 797 H LYS 97 H LYS 97 22.837 -0.554 -4.330 798 HA LYS 97 HA LYS 97 22.920 0.535 -1.686 799 1HB LYS 97 1HB LYS 97 24.763 1.712 -3.389 800 2HB LYS 97 2HB LYS 97 23.377 2.791 -3.507 801 1HG LYS 97 1HG LYS 97 24.805 3.622 -1.814 802 2HG LYS 97 2HG LYS 97 23.354 2.998 -1.010 803 1HD LYS 97 1HD LYS 97 24.605 0.938 -0.383 804 2HD LYS 97 2HD LYS 97 25.979 1.469 -1.363 805 1HE LYS 97 1HE LYS 97 26.515 3.203 0.144 806 2HE LYS 97 2HE LYS 97 24.962 3.098 1.003 807 1HZ LYS 97 2HZ LYS 97 26.977 0.946 0.993 808 2HZ LYS 97 3HZ LYS 97 26.836 2.139 2.163 809 3HZ LYS 97 1HZ LYS 97 25.636 1.048 1.932 810 H LEU 98 H LEU 98 20.873 -0.272 -1.699 811 HA LEU 98 HA LEU 98 18.666 -0.057 -1.666 812 1HB LEU 98 1HB LEU 98 19.509 2.169 -0.693 813 2HB LEU 98 2HB LEU 98 19.029 2.930 -2.187 814 HG LEU 98 HG LEU 98 17.114 1.395 -0.325 815 1HD1 LEU 98 2HD1 LEU 98 17.838 4.335 -0.371 816 2HD1 LEU 98 3HD1 LEU 98 16.415 3.643 0.438 817 3HD1 LEU 98 1HD1 LEU 98 18.028 3.171 0.962 818 1HD2 LEU 98 2HD2 LEU 98 16.331 1.878 -2.760 819 2HD2 LEU 98 3HD2 LEU 98 15.377 2.634 -1.493 820 3HD2 LEU 98 1HD2 LEU 98 16.580 3.592 -2.374 821 H ASN 99 H ASN 99 18.523 -1.385 -3.658 822 HA ASN 99 HA ASN 99 17.281 -0.075 -5.911 823 1HB ASN 99 2HB ASN 99 18.971 -0.911 -7.545 824 2HB ASN 99 3HB ASN 99 19.572 0.403 -6.526 825 1HD2 ASN 99 2HD2 ASN 99 21.102 -3.406 -5.898 826 2HD2 ASN 99 1HD2 ASN 99 19.611 -3.226 -6.776 No H/Q in entry = 826 Start of MODEL 16 1 1H MET 0 1H MET 0 14.753 -2.962 14.561 2 2H MET 0 2H MET 0 15.482 -1.643 15.155 3 3H MET 0 3H MET 0 16.397 -2.896 14.564 4 HA MET 0 HA MET 0 15.979 -4.247 16.347 5 1HB MET 0 2HB MET 0 16.152 -1.411 17.485 6 2HB MET 0 3HB MET 0 16.607 -2.906 18.303 7 1HG MET 0 2HG MET 0 18.318 -3.280 16.432 8 2HG MET 0 3HG MET 0 17.909 -1.666 15.838 9 1HE MET 0 2HE MET 0 19.791 -3.783 18.401 10 2HE MET 0 3HE MET 0 20.327 -2.598 19.605 11 3HE MET 0 1HE MET 0 18.614 -3.062 19.532 12 H ALA 1 H ALA 1 13.694 -4.734 15.585 13 HA ALA 1 HA ALA 1 11.650 -5.264 16.152 14 1HB ALA 1 2HB ALA 1 12.451 -5.667 18.406 15 2HB ALA 1 3HB ALA 1 12.138 -3.996 18.883 16 3HB ALA 1 1HB ALA 1 10.798 -5.044 18.426 17 H ARG 2 H ARG 2 11.779 -2.203 17.924 18 HA ARG 2 HA ARG 2 10.360 -0.475 18.067 19 1HB ARG 2 1HB ARG 2 9.773 -1.024 15.134 20 2HB ARG 2 2HB ARG 2 8.569 -0.204 16.106 21 1HG ARG 2 1HG ARG 2 9.910 1.473 15.110 22 2HG ARG 2 2HG ARG 2 10.210 1.448 16.850 23 1HD ARG 2 1HD ARG 2 12.255 -0.084 16.252 24 2HD ARG 2 2HD ARG 2 11.994 0.479 14.586 25 HE ARG 2 HE ARG 2 12.006 2.730 16.364 26 1HH1 ARG 2 2HH2 ARG 2 14.241 0.829 14.487 27 2HH1 ARG 2 1HH2 ARG 2 15.652 1.494 15.277 28 1HH2 ARG 2 2HH1 ARG 2 13.881 3.476 17.544 29 2HH2 ARG 2 1HH1 ARG 2 15.445 3.147 16.817 30 H ILE 3 H ILE 3 8.385 -0.287 19.081 31 HA ILE 3 HA ILE 3 6.582 -2.633 18.912 32 HB ILE 3 HB ILE 3 7.718 -2.832 20.996 33 1HG1 ILE 3 1HG1 ILE 3 5.805 -2.733 22.566 34 2HG1 ILE 3 2HG1 ILE 3 4.895 -1.780 21.393 35 1HG2 ILE 3 2HG2 ILE 3 8.472 -0.537 21.379 36 2HG2 ILE 3 3HG2 ILE 3 6.800 -0.022 21.717 37 3HG2 ILE 3 1HG2 ILE 3 7.621 -1.179 22.780 38 1HD1 ILE 3 3HD1 ILE 3 5.945 -4.598 20.881 39 2HD1 ILE 3 1HD1 ILE 3 4.296 -4.199 21.410 40 3HD1 ILE 3 2HD1 ILE 3 4.853 -3.673 19.826 41 H ASP 4 H ASP 4 6.862 0.872 19.567 42 HA ASP 4 HA ASP 4 4.790 1.360 17.646 43 1HB ASP 4 1HB ASP 4 3.303 0.942 19.611 44 2HB ASP 4 2HB ASP 4 4.139 2.217 20.497 45 HA PRO 5 HA PRO 5 7.998 4.523 18.212 46 1HB PRO 5 1HB PRO 5 8.475 5.288 15.658 47 2HB PRO 5 2HB PRO 5 8.967 3.686 16.287 48 1HG PRO 5 1HG PRO 5 6.488 4.347 14.718 49 2HG PRO 5 2HG PRO 5 7.661 3.040 14.396 50 1HD PRO 5 1HD PRO 5 5.347 2.583 15.799 51 2HD PRO 5 2HD PRO 5 6.871 1.745 16.212 52 H THR 6 H THR 6 8.108 6.786 17.995 53 HA THR 6 HA THR 6 5.588 8.143 18.449 54 HB THR 6 HB THR 6 8.415 9.243 18.632 55 HG1 THR 6 1HG THR 6 7.084 8.032 20.808 56 1HG2 THR 6 2HG2 THR 6 6.543 10.878 18.903 57 2HG2 THR 6 3HG2 THR 6 5.873 9.879 20.196 58 3HG2 THR 6 1HG2 THR 6 7.460 10.649 20.386 59 H LYS 7 H LYS 7 5.582 7.450 15.991 60 HA LYS 7 HA LYS 7 5.429 10.085 14.650 61 1HB LYS 7 1HB LYS 7 7.516 8.883 13.892 62 2HB LYS 7 2HB LYS 7 6.495 7.625 13.198 63 1HG LYS 7 1HG LYS 7 5.475 9.169 11.674 64 2HG LYS 7 2HG LYS 7 6.212 10.583 12.429 65 1HD LYS 7 1HD LYS 7 7.944 8.365 11.300 66 2HD LYS 7 2HD LYS 7 7.172 9.491 10.204 67 1HE LYS 7 1HE LYS 7 9.419 10.249 10.633 68 2HE LYS 7 2HE LYS 7 8.256 11.419 11.271 69 1HZ LYS 7 3HZ LYS 7 9.746 9.424 12.880 70 2HZ LYS 7 1HZ LYS 7 10.090 11.007 12.815 71 3HZ LYS 7 2HZ LYS 7 8.693 10.577 13.478 72 H LYS 8 H LYS 8 3.264 9.477 15.765 73 HA LYS 8 HA LYS 8 1.685 7.459 14.351 74 1HB LYS 8 1HB LYS 8 -0.248 8.298 15.563 75 2HB LYS 8 2HB LYS 8 1.103 7.851 16.584 76 1HG LYS 8 1HG LYS 8 -0.039 9.742 17.463 77 2HG LYS 8 2HG LYS 8 1.605 10.195 17.078 78 1HD LYS 8 1HD LYS 8 -0.559 10.695 15.023 79 2HD LYS 8 2HD LYS 8 -0.600 11.663 16.480 80 1HE LYS 8 1HE LYS 8 1.262 12.886 16.007 81 2HE LYS 8 2HE LYS 8 2.099 11.560 15.200 82 1HZ LYS 8 3HZ LYS 8 -0.156 12.998 13.970 83 2HZ LYS 8 1HZ LYS 8 1.428 13.344 13.681 84 3HZ LYS 8 2HZ LYS 8 0.864 11.873 13.289 85 H GLY 9 H GLY 9 -0.364 8.025 13.184 86 1HA GLY 9 1HA GLY 9 -1.608 9.445 11.746 87 2HA GLY 9 2HA GLY 9 -0.206 10.494 11.495 88 H ARG 10 H ARG 10 -0.663 6.931 11.413 89 HA ARG 10 HA ARG 10 0.515 6.822 8.662 90 1HB ARG 10 1HB ARG 10 1.287 4.516 9.402 91 2HB ARG 10 2HB ARG 10 2.094 5.889 10.126 92 1HG ARG 10 1HG ARG 10 0.955 5.691 12.180 93 2HG ARG 10 2HG ARG 10 -0.220 4.517 11.528 94 1HD ARG 10 1HD ARG 10 1.509 2.836 11.317 95 2HD ARG 10 2HD ARG 10 2.781 4.023 11.612 96 HE ARG 10 HE ARG 10 2.404 4.028 13.883 97 1HH1 ARG 10 2HH2 ARG 10 0.166 1.690 12.450 98 2HH1 ARG 10 1HH2 ARG 10 -0.938 1.690 13.795 99 1HH2 ARG 10 2HH1 ARG 10 1.055 3.897 15.760 100 2HH2 ARG 10 1HH1 ARG 10 -0.352 2.879 15.737 101 H ARG 11 H ARG 11 -0.128 4.225 8.155 102 HA ARG 11 HA ARG 11 -2.681 4.486 7.101 103 1HB ARG 11 1HB ARG 11 -0.734 3.064 6.307 104 2HB ARG 11 2HB ARG 11 -1.188 1.893 7.572 105 1HG ARG 11 1HG ARG 11 -3.462 1.719 6.473 106 2HG ARG 11 2HG ARG 11 -2.864 2.777 5.178 107 1HD ARG 11 1HD ARG 11 -1.775 0.062 6.038 108 2HD ARG 11 2HD ARG 11 -2.749 0.383 4.617 109 HE ARG 11 HE ARG 11 -0.860 1.982 3.891 110 1HH1 ARG 11 2HH2 ARG 11 -0.025 -0.775 5.979 111 2HH1 ARG 11 1HH2 ARG 11 1.483 -1.048 5.160 112 1HH2 ARG 11 2HH1 ARG 11 1.026 1.357 2.646 113 2HH2 ARG 11 1HH1 ARG 11 2.007 0.024 3.181 114 H ASN 12 H ASN 12 -4.611 3.459 7.607 115 HA ASN 12 HA ASN 12 -4.820 1.480 9.731 116 1HB ASN 12 1HB ASN 12 -4.927 3.327 11.235 117 2HB ASN 12 2HB ASN 12 -5.962 4.252 10.136 118 1HD2 ASN 12 2HD2 ASN 12 -7.720 1.106 12.196 119 2HD2 ASN 12 1HD2 ASN 12 -6.021 0.996 11.800 120 H ARG 13 H ARG 13 -6.470 3.533 7.313 121 HA ARG 13 HA ARG 13 -9.019 2.429 7.449 122 1HB ARG 13 1HB ARG 13 -9.273 2.966 5.096 123 2HB ARG 13 2HB ARG 13 -8.584 4.319 6.002 124 1HG ARG 13 1HG ARG 13 -6.392 3.916 4.947 125 2HG ARG 13 2HG ARG 13 -6.974 2.423 4.209 126 1HD ARG 13 1HD ARG 13 -6.964 4.166 2.561 127 2HD ARG 13 2HD ARG 13 -8.591 3.571 2.857 128 HE ARG 13 HE ARG 13 -7.577 6.092 4.154 129 1HH1 ARG 13 2HH2 ARG 13 -10.562 4.801 3.208 130 2HH1 ARG 13 1HH2 ARG 13 -11.046 6.009 2.077 131 1HH2 ARG 13 2HH1 ARG 13 -7.822 7.649 2.319 132 2HH2 ARG 13 1HH1 ARG 13 -9.397 7.736 1.555 133 H PHE 14 H PHE 14 -6.201 1.150 5.872 134 HA PHE 14 HA PHE 14 -7.507 -1.456 5.322 135 1HB PHE 14 1HB PHE 14 -6.876 -0.339 3.271 136 2HB PHE 14 2HB PHE 14 -5.297 0.093 3.914 137 HD1 PHE 14 2HD PHE 14 -7.371 -3.036 3.391 138 HD2 PHE 14 1HD PHE 14 -3.448 -1.214 3.306 139 HE1 PHE 14 2HE PHE 14 -6.369 -5.186 2.728 140 HE2 PHE 14 1HE PHE 14 -2.467 -3.377 2.691 141 HZ PHE 14 HZ PHE 14 -3.928 -5.355 2.418 142 H LYS 15 H LYS 15 -6.041 -3.221 5.842 143 HA LYS 15 HA LYS 15 -3.952 -2.756 7.844 144 1HB LYS 15 1HB LYS 15 -5.050 -4.198 9.462 145 2HB LYS 15 2HB LYS 15 -6.082 -2.805 9.159 146 1HG LYS 15 1HG LYS 15 -7.596 -4.120 7.769 147 2HG LYS 15 2HG LYS 15 -6.443 -5.464 7.753 148 1HD LYS 15 1HD LYS 15 -6.706 -5.732 10.218 149 2HD LYS 15 2HD LYS 15 -7.955 -4.477 10.177 150 1HE LYS 15 1HE LYS 15 -8.877 -6.794 10.232 151 2HE LYS 15 2HE LYS 15 -9.411 -5.867 8.826 152 1HZ LYS 15 2HZ LYS 15 -7.185 -7.830 8.715 153 2HZ LYS 15 3HZ LYS 15 -8.737 -8.166 8.292 154 3HZ LYS 15 1HZ LYS 15 -7.870 -7.084 7.462 155 H TRP 16 H TRP 16 -3.778 -5.524 8.503 156 HA TRP 16 HA TRP 16 -4.311 -7.025 6.043 157 1HB TRP 16 1HB TRP 16 -1.570 -7.013 7.350 158 2HB TRP 16 2HB TRP 16 -2.152 -8.267 6.245 159 HD1 TRP 16 HD TRP 16 -0.563 -4.875 6.179 160 HE1 TRP 16 1HE TRP 16 -0.001 -4.249 3.759 161 HE3 TRP 16 3HE TRP 16 -3.503 -8.258 3.750 162 HZ2 TRP 16 2HZ TRP 16 -0.756 -5.099 1.116 163 HZ3 TRP 16 3HZ TRP 16 -3.301 -8.556 1.303 164 HH2 TRP 16 HH TRP 16 -1.994 -6.916 -0.036 165 H GLY 17 H GLY 17 -2.448 -8.731 8.380 166 1HA GLY 17 1HA GLY 17 -3.951 -9.170 10.598 167 2HA GLY 17 2HA GLY 17 -4.867 -10.036 9.349 168 HA PRO 18 HA PRO 18 -0.974 -12.372 10.777 169 1HB PRO 18 1HB PRO 18 -2.160 -14.521 12.073 170 2HB PRO 18 2HB PRO 18 -1.636 -13.018 12.877 171 1HG PRO 18 1HG PRO 18 -4.394 -13.727 11.899 172 2HG PRO 18 2HG PRO 18 -3.952 -13.011 13.467 173 1HD PRO 18 1HD PRO 18 -4.864 -11.433 11.464 174 2HD PRO 18 2HD PRO 18 -3.520 -10.891 12.500 175 H ALA 19 H ALA 19 -4.040 -13.750 9.851 176 HA ALA 19 HA ALA 19 -3.049 -15.988 8.420 177 1HB ALA 19 1HB ALA 19 -5.461 -15.654 9.129 178 2HB ALA 19 2HB ALA 19 -5.637 -14.496 7.791 179 3HB ALA 19 3HB ALA 19 -5.256 -16.185 7.445 180 H SER 20 H SER 20 -3.744 -12.683 7.400 181 HA SER 20 HA SER 20 -3.395 -12.890 4.634 182 1HB SER 20 1HB SER 20 -3.984 -10.819 6.091 183 2HB SER 20 2HB SER 20 -2.233 -10.620 6.273 184 HG SER 20 HG SER 20 -3.630 -10.817 3.800 185 H GLN 21 H GLN 21 -0.908 -12.821 7.236 186 HA GLN 21 HA GLN 21 1.215 -12.369 5.321 187 1HB GLN 21 1HB GLN 21 1.424 -13.360 8.180 188 2HB GLN 21 2HB GLN 21 2.725 -12.697 7.191 189 1HG GLN 21 1HG GLN 21 0.333 -11.267 8.402 190 2HG GLN 21 2HG GLN 21 2.046 -10.990 8.709 191 1HE2 GLN 21 2HE2 GLN 21 2.218 -9.527 5.183 192 2HE2 GLN 21 1HE2 GLN 21 2.836 -11.002 5.917 193 H GLN 22 H GLN 22 -0.572 -15.209 6.181 194 HA GLN 22 HA GLN 22 1.484 -17.076 5.279 195 1HB GLN 22 1HB GLN 22 -0.414 -17.834 6.659 196 2HB GLN 22 2HB GLN 22 -1.550 -17.335 5.419 197 1HG GLN 22 1HG GLN 22 -1.232 -19.726 5.345 198 2HG GLN 22 2HG GLN 22 -0.729 -18.959 3.844 199 1HE2 GLN 22 2HE2 GLN 22 2.426 -20.233 6.207 200 2HE2 GLN 22 1HE2 GLN 22 1.250 -19.127 6.897 201 H ILE 23 H ILE 23 -1.410 -15.416 3.855 202 HA ILE 23 HA ILE 23 -1.020 -16.495 1.279 203 HB ILE 23 HB ILE 23 -2.448 -13.952 2.156 204 1HG1 ILE 23 1HG1 ILE 23 -4.414 -15.344 1.351 205 2HG1 ILE 23 2HG1 ILE 23 -3.339 -16.742 1.259 206 1HG2 ILE 23 2HG2 ILE 23 -2.256 -15.164 -0.637 207 2HG2 ILE 23 3HG2 ILE 23 -3.437 -13.940 -0.143 208 3HG2 ILE 23 1HG2 ILE 23 -1.740 -13.535 -0.139 209 1HD1 ILE 23 1HD1 ILE 23 -3.984 -15.106 3.731 210 2HD1 ILE 23 2HD1 ILE 23 -4.736 -16.647 3.244 211 3HD1 ILE 23 3HD1 ILE 23 -3.034 -16.631 3.682 212 H LEU 24 H LEU 24 -0.044 -13.262 2.491 213 HA LEU 24 HA LEU 24 1.166 -12.410 0.101 214 1HB LEU 24 1HB LEU 24 1.783 -11.813 3.016 215 2HB LEU 24 2HB LEU 24 2.607 -10.988 1.689 216 HG LEU 24 HG LEU 24 -0.435 -10.994 1.885 217 1HD1 LEU 24 3HD1 LEU 24 1.637 -9.210 3.159 218 2HD1 LEU 24 1HD1 LEU 24 -0.019 -8.653 2.863 219 3HD1 LEU 24 2HD1 LEU 24 0.283 -10.039 3.943 220 1HD2 LEU 24 2HD2 LEU 24 1.574 -9.101 0.559 221 2HD2 LEU 24 3HD2 LEU 24 0.608 -10.317 -0.286 222 3HD2 LEU 24 1HD2 LEU 24 -0.195 -8.962 0.504 223 H PHE 25 H PHE 25 2.613 -14.322 2.772 224 HA PHE 25 HA PHE 25 5.226 -14.314 1.511 225 1HB PHE 25 1HB PHE 25 4.056 -15.864 3.826 226 2HB PHE 25 2HB PHE 25 5.649 -16.154 3.168 227 HD1 PHE 25 2HD PHE 25 3.967 -12.803 3.870 228 HD2 PHE 25 1HD PHE 25 7.160 -15.550 4.818 229 HE1 PHE 25 2HE PHE 25 5.106 -11.052 5.192 230 HE2 PHE 25 1HE PHE 25 8.297 -13.758 6.097 231 HZ PHE 25 HZ PHE 25 7.332 -11.480 6.189 232 H GLN 26 H GLN 26 2.418 -16.572 1.497 233 HA GLN 26 HA GLN 26 3.756 -18.688 0.180 234 1HB GLN 26 1HB GLN 26 1.833 -19.789 0.017 235 2HB GLN 26 2HB GLN 26 1.328 -18.651 1.249 236 1HG GLN 26 1HG GLN 26 0.132 -17.340 -0.486 237 2HG GLN 26 2HG GLN 26 0.788 -18.386 -1.741 238 1HE2 GLN 26 2HE2 GLN 26 -2.717 -19.431 -0.086 239 2HE2 GLN 26 1HE2 GLN 26 -1.955 -17.949 0.245 240 H ALA 27 H ALA 27 2.003 -15.855 -1.026 241 HA ALA 27 HA ALA 27 2.203 -16.370 -3.815 242 1HB ALA 27 3HB ALA 27 2.126 -13.767 -2.284 243 2HB ALA 27 1HB ALA 27 1.873 -13.944 -4.036 244 3HB ALA 27 2HB ALA 27 0.723 -14.678 -2.888 245 H TYR 28 H TYR 28 4.256 -14.345 -1.642 246 HA TYR 28 HA TYR 28 6.242 -13.681 -3.460 247 1HB TYR 28 1HB TYR 28 5.764 -13.068 -0.923 248 2HB TYR 28 2HB TYR 28 6.926 -14.340 -0.597 249 HD1 TYR 28 2HD TYR 28 6.358 -11.217 -2.580 250 HD2 TYR 28 1HD TYR 28 9.234 -13.666 -0.509 251 HE1 TYR 28 2HE TYR 28 7.887 -9.291 -2.453 252 HE2 TYR 28 1HE TYR 28 10.801 -11.751 -0.437 253 HH TYR 28 HH TYR 28 9.983 -8.581 -1.843 254 H GLU 29 H GLU 29 5.867 -16.676 -1.585 255 HA GLU 29 HA GLU 29 8.326 -17.921 -2.267 256 1HB GLU 29 1HB GLU 29 6.409 -18.632 -0.568 257 2HB GLU 29 2HB GLU 29 5.742 -19.462 -1.975 258 1HG GLU 29 1HG GLU 29 6.987 -21.167 -1.193 259 2HG GLU 29 2HG GLU 29 8.240 -20.417 -2.171 260 H ARG 30 H ARG 30 5.197 -17.661 -4.044 261 HA ARG 30 HA ARG 30 6.007 -19.717 -5.950 262 1HB ARG 30 1HB ARG 30 3.885 -17.637 -6.542 263 2HB ARG 30 2HB ARG 30 4.058 -19.263 -7.175 264 1HG ARG 30 1HG ARG 30 3.026 -18.347 -4.503 265 2HG ARG 30 2HG ARG 30 2.163 -19.200 -5.767 266 1HD ARG 30 1HD ARG 30 3.520 -21.234 -5.333 267 2HD ARG 30 2HD ARG 30 4.372 -20.365 -4.024 268 HE ARG 30 HE ARG 30 1.591 -20.157 -3.533 269 1HH1 ARG 30 2HH2 ARG 30 4.136 -22.565 -3.547 270 2HH1 ARG 30 1HH2 ARG 30 3.418 -23.610 -2.362 271 1HH2 ARG 30 2HH1 ARG 30 0.570 -21.490 -1.889 272 2HH2 ARG 30 1HH1 ARG 30 1.308 -22.965 -1.406 273 H GLN 31 H GLN 31 5.652 -16.102 -5.963 274 HA GLN 31 HA GLN 31 7.856 -15.797 -7.824 275 1HB GLN 31 1HB GLN 31 5.849 -16.465 -9.248 276 2HB GLN 31 2HB GLN 31 5.031 -15.011 -8.671 277 1HG GLN 31 1HG GLN 31 6.890 -13.659 -9.664 278 2HG GLN 31 2HG GLN 31 7.677 -15.155 -10.199 279 1HE2 GLN 31 2HE2 GLN 31 4.158 -13.985 -12.072 280 2HE2 GLN 31 1HE2 GLN 31 4.518 -13.482 -10.396 281 H LYS 32 H LYS 32 8.625 -13.675 -7.748 282 HA LYS 32 HA LYS 32 7.445 -11.916 -5.619 283 1HB LYS 32 1HB LYS 32 10.297 -12.081 -6.657 284 2HB LYS 32 2HB LYS 32 9.720 -11.133 -5.278 285 1HG LYS 32 1HG LYS 32 9.155 -13.253 -4.077 286 2HG LYS 32 2HG LYS 32 9.793 -14.178 -5.444 287 1HD LYS 32 1HD LYS 32 11.984 -12.901 -5.181 288 2HD LYS 32 2HD LYS 32 11.345 -12.239 -3.657 289 1HE LYS 32 1HE LYS 32 11.151 -14.540 -2.738 290 2HE LYS 32 2HE LYS 32 11.622 -15.200 -4.308 291 1HZ LYS 32 3HZ LYS 32 13.785 -14.097 -4.042 292 2HZ LYS 32 1HZ LYS 32 13.395 -13.655 -2.497 293 3HZ LYS 32 2HZ LYS 32 13.500 -15.234 -2.916 294 H ASN 33 H ASN 33 7.060 -11.961 -8.851 295 HA ASN 33 HA ASN 33 7.731 -9.188 -9.316 296 1HB ASN 33 1HB ASN 33 8.857 -9.500 -11.119 297 2HB ASN 33 2HB ASN 33 9.660 -10.613 -10.031 298 1HD2 ASN 33 2HD2 ASN 33 8.443 -13.467 -12.091 299 2HD2 ASN 33 1HD2 ASN 33 8.722 -13.021 -10.413 300 HA PRO 34 HA PRO 34 3.518 -10.507 -10.065 301 1HB PRO 34 1HB PRO 34 2.204 -8.116 -9.856 302 2HB PRO 34 2HB PRO 34 2.863 -9.031 -8.473 303 1HG PRO 34 1HG PRO 34 4.182 -6.747 -9.957 304 2HG PRO 34 2HG PRO 34 4.001 -6.939 -8.177 305 1HD PRO 34 1HD PRO 34 6.278 -7.591 -9.424 306 2HD PRO 34 2HD PRO 34 5.644 -8.657 -8.125 307 H SER 35 H SER 35 4.275 -11.136 -12.122 308 HA SER 35 HA SER 35 4.126 -9.683 -14.486 309 1HB SER 35 1HB SER 35 3.345 -12.619 -14.106 310 2HB SER 35 2HB SER 35 3.934 -11.846 -15.583 311 HG SER 35 HG SER 35 5.381 -12.103 -13.102 312 H LYS 36 H LYS 36 1.510 -11.768 -13.130 313 HA LYS 36 HA LYS 36 -0.465 -9.787 -13.495 314 1HB LYS 36 1HB LYS 36 -0.007 -10.833 -15.917 315 2HB LYS 36 2HB LYS 36 -1.037 -12.115 -15.358 316 1HG LYS 36 1HG LYS 36 -1.699 -9.117 -15.374 317 2HG LYS 36 2HG LYS 36 -2.151 -10.233 -16.659 318 1HD LYS 36 1HD LYS 36 -3.086 -10.592 -13.785 319 2HD LYS 36 2HD LYS 36 -3.997 -9.652 -14.957 320 1HE LYS 36 1HE LYS 36 -4.513 -11.514 -16.324 321 2HE LYS 36 2HE LYS 36 -3.175 -12.465 -15.700 322 1HZ LYS 36 1HZ LYS 36 -4.415 -12.343 -13.514 323 2HZ LYS 36 2HZ LYS 36 -5.720 -11.951 -14.339 324 3HZ LYS 36 3HZ LYS 36 -4.923 -13.393 -14.666 325 H GLU 37 H GLU 37 -0.748 -13.417 -13.819 326 HA GLU 37 HA GLU 37 -2.784 -13.785 -12.273 327 1HB GLU 37 1HB GLU 37 -0.491 -15.297 -13.431 328 2HB GLU 37 2HB GLU 37 -0.995 -15.974 -11.923 329 1HG GLU 37 1HG GLU 37 -2.254 -16.960 -13.826 330 2HG GLU 37 2HG GLU 37 -3.362 -16.097 -12.739 331 H GLU 38 H GLU 38 0.533 -13.704 -11.092 332 HA GLU 38 HA GLU 38 0.490 -14.385 -8.456 333 1HB GLU 38 1HB GLU 38 2.386 -13.403 -9.840 334 2HB GLU 38 2HB GLU 38 1.693 -11.800 -9.556 335 1HG GLU 38 1HG GLU 38 2.102 -12.112 -7.115 336 2HG GLU 38 2HG GLU 38 2.824 -13.690 -7.448 337 H ARG 39 H ARG 39 -0.746 -11.325 -9.820 338 HA ARG 39 HA ARG 39 -1.420 -10.143 -7.306 339 1HB ARG 39 1HB ARG 39 -2.519 -9.628 -10.119 340 2HB ARG 39 2HB ARG 39 -2.746 -8.539 -8.774 341 1HG ARG 39 1HG ARG 39 0.089 -9.287 -9.627 342 2HG ARG 39 2HG ARG 39 -0.879 -8.224 -10.632 343 1HD ARG 39 1HD ARG 39 -1.191 -7.172 -8.005 344 2HD ARG 39 2HD ARG 39 0.504 -7.643 -8.126 345 HE ARG 39 HE ARG 39 -0.968 -6.008 -10.197 346 1HH1 ARG 39 2HH2 ARG 39 1.630 -5.905 -7.812 347 2HH1 ARG 39 1HH2 ARG 39 2.690 -4.943 -8.851 348 1HH2 ARG 39 2HH1 ARG 39 0.628 -4.992 -11.644 349 2HH2 ARG 39 1HH1 ARG 39 2.137 -4.425 -10.920 350 H GLU 40 H GLU 40 -3.369 -11.753 -9.851 351 HA GLU 40 HA GLU 40 -5.885 -11.319 -8.780 352 1HB GLU 40 1HB GLU 40 -4.672 -13.115 -10.698 353 2HB GLU 40 2HB GLU 40 -5.998 -13.889 -9.862 354 1HG GLU 40 1HG GLU 40 -7.219 -12.994 -11.516 355 2HG GLU 40 2HG GLU 40 -7.323 -11.626 -10.410 356 H THR 41 H THR 41 -3.732 -14.076 -8.521 357 HA THR 41 HA THR 41 -4.855 -15.707 -6.586 358 HB THR 41 HB THR 41 -2.169 -15.111 -7.714 359 HG1 THR 41 1HG THR 41 -3.519 -16.755 -8.444 360 1HG2 THR 41 1HG2 THR 41 -2.238 -16.396 -5.009 361 2HG2 THR 41 2HG2 THR 41 -0.926 -16.571 -6.213 362 3HG2 THR 41 3HG2 THR 41 -1.293 -14.989 -5.561 363 H LEU 42 H LEU 42 -2.521 -13.004 -6.040 364 HA LEU 42 HA LEU 42 -2.423 -13.301 -3.261 365 1HB LEU 42 1HB LEU 42 -1.880 -11.097 -5.264 366 2HB LEU 42 2HB LEU 42 -1.995 -10.601 -3.598 367 HG LEU 42 HG LEU 42 -0.261 -12.960 -4.340 368 1HD1 LEU 42 3HD1 LEU 42 0.373 -10.985 -5.830 369 2HD1 LEU 42 1HD1 LEU 42 0.825 -10.133 -4.345 370 3HD1 LEU 42 2HD1 LEU 42 1.642 -11.631 -4.785 371 1HD2 LEU 42 2HD2 LEU 42 -0.346 -10.831 -2.163 372 2HD2 LEU 42 3HD2 LEU 42 -0.574 -12.578 -1.955 373 3HD2 LEU 42 1HD2 LEU 42 1.031 -11.910 -2.338 374 H VAL 43 H VAL 43 -4.488 -11.089 -5.159 375 HA VAL 43 HA VAL 43 -5.711 -9.986 -2.833 376 HB VAL 43 HB VAL 43 -6.588 -10.077 -5.749 377 1HG1 VAL 43 1HG1 VAL 43 -7.852 -8.828 -3.290 378 2HG1 VAL 43 2HG1 VAL 43 -8.142 -8.183 -4.916 379 3HG1 VAL 43 3HG1 VAL 43 -8.599 -9.854 -4.510 380 1HG2 VAL 43 2HG2 VAL 43 -5.411 -7.853 -4.003 381 2HG2 VAL 43 3HG2 VAL 43 -4.539 -8.747 -5.262 382 3HG2 VAL 43 1HG2 VAL 43 -5.897 -7.702 -5.702 383 H GLU 44 H GLU 44 -6.737 -12.618 -5.036 384 HA GLU 44 HA GLU 44 -9.243 -13.090 -3.802 385 1HB GLU 44 1HB GLU 44 -8.826 -13.959 -5.984 386 2HB GLU 44 2HB GLU 44 -7.310 -14.736 -5.487 387 1HG GLU 44 1HG GLU 44 -9.099 -16.329 -5.964 388 2HG GLU 44 2HG GLU 44 -8.421 -16.466 -4.338 389 H GLU 45 H GLU 45 -6.096 -14.822 -3.283 390 HA GLU 45 HA GLU 45 -7.262 -16.649 -1.437 391 1HB GLU 45 1HB GLU 45 -4.630 -16.064 -2.469 392 2HB GLU 45 2HB GLU 45 -4.547 -16.437 -0.767 393 1HG GLU 45 1HG GLU 45 -5.887 -18.273 -2.733 394 2HG GLU 45 2HG GLU 45 -4.208 -18.379 -2.278 395 H CYS 46 H CYS 46 -5.644 -13.473 -1.121 396 HA CYS 46 HA CYS 46 -5.521 -13.250 1.703 397 1HB CYS 46 1HB CYS 46 -4.616 -11.455 0.005 398 2HB CYS 46 2HB CYS 46 -6.265 -11.002 -0.240 399 HG CYS 46 HG CYS 46 -6.875 -10.576 2.301 400 H ASN 47 H ASN 47 -8.005 -12.004 -0.545 401 HA ASN 47 HA ASN 47 -9.888 -11.062 1.290 402 1HB ASN 47 1HB ASN 47 -10.035 -12.077 -1.571 403 2HB ASN 47 2HB ASN 47 -11.504 -11.614 -0.751 404 1HD2 ASN 47 2HD2 ASN 47 -10.090 -8.611 -2.551 405 2HD2 ASN 47 1HD2 ASN 47 -10.530 -10.248 -3.050 406 H ARG 48 H ARG 48 -9.700 -14.262 -0.205 407 HA ARG 48 HA ARG 48 -11.960 -15.481 0.913 408 1HB ARG 48 1HB ARG 48 -10.409 -16.251 -0.909 409 2HB ARG 48 2HB ARG 48 -9.222 -16.685 0.322 410 1HG ARG 48 1HG ARG 48 -10.952 -18.272 1.294 411 2HG ARG 48 2HG ARG 48 -11.963 -17.915 -0.125 412 1HD ARG 48 1HD ARG 48 -9.118 -19.030 -0.140 413 2HD ARG 48 2HD ARG 48 -10.578 -19.942 -0.509 414 HE ARG 48 HE ARG 48 -10.657 -17.824 -2.350 415 1HH1 ARG 48 2HH2 ARG 48 -7.911 -19.841 -1.654 416 2HH1 ARG 48 1HH2 ARG 48 -7.666 -20.367 -3.280 417 1HH2 ARG 48 2HH1 ARG 48 -10.208 -18.207 -4.450 418 2HH2 ARG 48 1HH1 ARG 48 -8.956 -19.296 -4.986 419 H ALA 49 H ALA 49 -8.550 -15.498 2.098 420 HA ALA 49 HA ALA 49 -9.108 -16.752 4.580 421 1HB ALA 49 2HB ALA 49 -6.896 -16.620 3.616 422 2HB ALA 49 3HB ALA 49 -6.856 -14.853 3.820 423 3HB ALA 49 1HB ALA 49 -6.876 -15.909 5.244 424 H GLU 50 H GLU 50 -9.172 -13.344 3.639 425 HA GLU 50 HA GLU 50 -9.220 -12.186 6.254 426 1HB GLU 50 1HB GLU 50 -8.384 -11.070 4.253 427 2HB GLU 50 2HB GLU 50 -9.979 -11.180 3.492 428 1HG GLU 50 1HG GLU 50 -9.582 -8.949 4.241 429 2HG GLU 50 2HG GLU 50 -10.891 -9.691 5.169 430 H CYS 51 H CYS 51 -11.726 -13.220 3.913 431 HA CYS 51 HA CYS 51 -13.937 -12.374 5.490 432 1HB CYS 51 1HB CYS 51 -15.225 -13.287 3.938 433 2HB CYS 51 2HB CYS 51 -13.757 -13.533 3.024 434 HG CYS 51 HG CYS 51 -13.374 -15.983 3.751 435 H ILE 52 H ILE 52 -11.918 -15.339 5.623 436 HA ILE 52 HA ILE 52 -13.600 -16.617 7.584 437 HB ILE 52 HB ILE 52 -10.717 -17.159 6.807 438 1HG1 ILE 52 1HG1 ILE 52 -13.304 -18.613 6.090 439 2HG1 ILE 52 2HG1 ILE 52 -12.475 -17.472 5.032 440 1HG2 ILE 52 3HG2 ILE 52 -11.165 -17.995 9.103 441 2HG2 ILE 52 1HG2 ILE 52 -12.622 -18.821 8.513 442 3HG2 ILE 52 2HG2 ILE 52 -11.008 -19.328 7.976 443 1HD1 ILE 52 2HD1 ILE 52 -10.440 -18.915 5.065 444 2HD1 ILE 52 3HD1 ILE 52 -11.375 -20.145 5.951 445 3HD1 ILE 52 1HD1 ILE 52 -11.870 -19.658 4.327 446 H GLN 53 H GLN 53 -10.798 -14.435 7.752 447 HA GLN 53 HA GLN 53 -10.237 -14.540 10.503 448 1HB GLN 53 1HB GLN 53 -10.242 -12.062 8.722 449 2HB GLN 53 2HB GLN 53 -9.604 -12.130 10.350 450 1HG GLN 53 1HG GLN 53 -8.086 -14.048 9.607 451 2HG GLN 53 2HG GLN 53 -8.546 -13.677 7.957 452 1HE2 GLN 53 2HE2 GLN 53 -6.981 -10.320 8.152 453 2HE2 GLN 53 1HE2 GLN 53 -8.646 -10.775 8.146 454 H ARG 54 H ARG 54 -13.147 -13.266 8.988 455 HA ARG 54 HA ARG 54 -14.162 -12.484 11.681 456 1HB ARG 54 1HB ARG 54 -15.230 -10.609 10.634 457 2HB ARG 54 2HB ARG 54 -13.484 -10.589 10.298 458 1HG ARG 54 1HG ARG 54 -13.994 -11.665 8.036 459 2HG ARG 54 2HG ARG 54 -15.701 -11.332 8.366 460 1HD ARG 54 1HD ARG 54 -13.360 -9.403 8.239 461 2HD ARG 54 2HD ARG 54 -14.632 -9.541 7.026 462 HE ARG 54 HE ARG 54 -14.724 -8.380 9.783 463 1HH1 ARG 54 2HH2 ARG 54 -16.340 -8.709 6.664 464 2HH1 ARG 54 1HH2 ARG 54 -17.668 -7.651 7.055 465 1HH2 ARG 54 2HH1 ARG 54 -16.677 -7.291 10.455 466 2HH2 ARG 54 1HH1 ARG 54 -17.856 -6.824 9.261 467 H GLY 55 H GLY 55 -14.409 -14.950 9.757 468 1HA GLY 55 1HA GLY 55 -16.045 -16.412 9.128 469 2HA GLY 55 2HA GLY 55 -16.926 -15.817 10.545 470 H VAL 56 H VAL 56 -16.082 -13.995 7.571 471 HA VAL 56 HA VAL 56 -18.961 -13.619 6.916 472 HB VAL 56 HB VAL 56 -16.350 -12.659 5.749 473 1HG1 VAL 56 1HG1 VAL 56 -19.041 -12.610 4.289 474 2HG1 VAL 56 2HG1 VAL 56 -17.684 -11.550 3.899 475 3HG1 VAL 56 3HG1 VAL 56 -17.502 -13.287 3.697 476 1HG2 VAL 56 3HG2 VAL 56 -17.697 -11.422 7.515 477 2HG2 VAL 56 1HG2 VAL 56 -17.331 -10.524 6.015 478 3HG2 VAL 56 2HG2 VAL 56 -18.953 -11.209 6.276 479 H SER 57 H SER 57 -19.885 -14.546 5.018 480 HA SER 57 HA SER 57 -19.345 -17.291 4.673 481 1HB SER 57 1HB SER 57 -21.263 -15.336 3.807 482 2HB SER 57 2HB SER 57 -20.772 -16.278 2.398 483 HG SER 57 HG SER 57 -22.526 -17.205 3.663 484 HA PRO 58 HA PRO 58 -15.813 -16.970 1.921 485 1HB PRO 58 1HB PRO 58 -16.053 -19.288 0.423 486 2HB PRO 58 2HB PRO 58 -15.434 -19.209 2.095 487 1HG PRO 58 1HG PRO 58 -18.237 -19.904 1.196 488 2HG PRO 58 2HG PRO 58 -17.230 -20.743 2.410 489 1HD PRO 58 1HD PRO 58 -19.144 -18.978 3.146 490 2HD PRO 58 2HD PRO 58 -17.582 -19.008 4.014 491 H SER 59 H SER 59 -18.926 -17.863 0.433 492 HA SER 59 HA SER 59 -18.446 -17.009 -2.213 493 1HB SER 59 1HB SER 59 -21.060 -16.680 -2.007 494 2HB SER 59 2HB SER 59 -20.341 -18.293 -1.888 495 HG SER 59 HG SER 59 -21.773 -17.970 -0.152 496 H GLN 60 H GLN 60 -18.793 -15.106 0.695 497 HA GLN 60 HA GLN 60 -19.253 -12.637 -0.906 498 1HB GLN 60 1HB GLN 60 -19.884 -13.171 2.027 499 2HB GLN 60 2HB GLN 60 -20.234 -11.683 1.131 500 1HG GLN 60 1HG GLN 60 -21.769 -12.971 -0.365 501 2HG GLN 60 2HG GLN 60 -21.467 -14.428 0.596 502 1HE2 GLN 60 2HE2 GLN 60 -24.274 -11.898 1.901 503 2HE2 GLN 60 1HE2 GLN 60 -23.592 -11.808 0.288 504 H ALA 61 H ALA 61 -16.711 -14.103 -0.403 505 HA ALA 61 HA ALA 61 -15.202 -12.519 1.424 506 1HB ALA 61 2HB ALA 61 -14.363 -14.668 0.616 507 2HB ALA 61 3HB ALA 61 -14.234 -14.026 -1.044 508 3HB ALA 61 1HB ALA 61 -13.211 -13.374 0.249 509 H GLN 62 H GLN 62 -16.375 -11.788 -1.755 510 HA GLN 62 HA GLN 62 -14.650 -9.438 -2.092 511 1HB GLN 62 1HB GLN 62 -16.968 -10.564 -3.590 512 2HB GLN 62 2HB GLN 62 -16.388 -8.940 -3.942 513 1HG GLN 62 1HG GLN 62 -14.615 -11.422 -3.964 514 2HG GLN 62 2HG GLN 62 -15.352 -10.707 -5.397 515 1HE2 GLN 62 2HE2 GLN 62 -11.830 -9.390 -4.941 516 2HE2 GLN 62 1HE2 GLN 62 -12.472 -11.024 -4.872 517 H GLY 63 H GLY 63 -17.307 -10.103 -0.088 518 1HA GLY 63 1HA GLY 63 -18.830 -7.698 -0.362 519 2HA GLY 63 2HA GLY 63 -18.864 -8.851 0.987 520 H LEU 64 H LEU 64 -16.355 -8.738 1.948 521 HA LEU 64 HA LEU 64 -16.729 -6.585 3.692 522 1HB LEU 64 1HB LEU 64 -15.021 -7.474 5.062 523 2HB LEU 64 2HB LEU 64 -16.194 -8.634 4.569 524 HG LEU 64 HG LEU 64 -13.908 -9.490 4.883 525 1HD1 LEU 64 3HD1 LEU 64 -15.564 -10.773 3.677 526 2HD1 LEU 64 1HD1 LEU 64 -15.053 -10.006 2.157 527 3HD1 LEU 64 2HD1 LEU 64 -13.929 -11.025 3.039 528 1HD2 LEU 64 1HD2 LEU 64 -13.269 -8.068 2.303 529 2HD2 LEU 64 2HD2 LEU 64 -12.518 -7.877 3.927 530 3HD2 LEU 64 3HD2 LEU 64 -12.298 -9.371 3.025 531 H GLY 65 H GLY 65 -16.174 -5.289 1.395 532 1HA GLY 65 1HA GLY 65 -14.106 -4.034 0.523 533 2HA GLY 65 2HA GLY 65 -15.441 -3.116 1.199 534 H SER 66 H SER 66 -15.164 -3.236 3.885 535 HA SER 66 HA SER 66 -13.454 -1.288 4.703 536 1HB SER 66 1HB SER 66 -15.025 -3.422 5.910 537 2HB SER 66 2HB SER 66 -13.508 -3.410 6.709 538 HG SER 66 HG SER 66 -13.813 -1.480 7.512 539 H ASN 67 H ASN 67 -12.822 -4.743 4.710 540 HA ASN 67 HA ASN 67 -9.950 -4.374 5.314 541 1HB ASN 67 1HB ASN 67 -10.189 -6.296 6.759 542 2HB ASN 67 2HB ASN 67 -11.260 -4.966 7.239 543 1HD2 ASN 67 2HD2 ASN 67 -12.840 -8.592 6.452 544 2HD2 ASN 67 1HD2 ASN 67 -11.148 -8.359 6.782 545 H LEU 68 H LEU 68 -12.202 -5.839 3.110 546 HA LEU 68 HA LEU 68 -10.850 -7.598 1.647 547 1HB LEU 68 1HB LEU 68 -12.948 -6.150 1.072 548 2HB LEU 68 2HB LEU 68 -11.811 -4.953 0.467 549 HG LEU 68 HG LEU 68 -10.908 -7.063 -0.935 550 1HD1 LEU 68 3HD1 LEU 68 -12.447 -8.653 0.217 551 2HD1 LEU 68 1HD1 LEU 68 -13.831 -7.744 -0.412 552 3HD1 LEU 68 2HD1 LEU 68 -12.719 -8.571 -1.529 553 1HD2 LEU 68 3HD2 LEU 68 -13.387 -5.476 -1.590 554 2HD2 LEU 68 1HD2 LEU 68 -11.704 -5.037 -1.957 555 3HD2 LEU 68 2HD2 LEU 68 -12.425 -6.442 -2.752 556 H VAL 69 H VAL 69 -9.119 -7.522 0.174 557 HA VAL 69 HA VAL 69 -7.331 -5.135 0.245 558 HB VAL 69 HB VAL 69 -6.480 -7.432 1.050 559 1HG1 VAL 69 2HG1 VAL 69 -7.500 -8.856 -0.687 560 2HG1 VAL 69 3HG1 VAL 69 -6.499 -8.002 -1.900 561 3HG1 VAL 69 1HG1 VAL 69 -5.725 -8.944 -0.644 562 1HG2 VAL 69 2HG2 VAL 69 -5.003 -5.554 0.341 563 2HG2 VAL 69 3HG2 VAL 69 -4.359 -7.126 -0.168 564 3HG2 VAL 69 1HG2 VAL 69 -5.152 -6.109 -1.349 565 H THR 70 H THR 70 -6.590 -4.365 -1.802 566 HA THR 70 HA THR 70 -7.970 -5.346 -4.244 567 HB THR 70 HB THR 70 -8.104 -2.975 -4.961 568 HG1 THR 70 1HG THR 70 -7.883 -1.437 -3.166 569 1HG2 THR 70 2HG2 THR 70 -10.036 -4.049 -3.749 570 2HG2 THR 70 3HG2 THR 70 -9.429 -3.360 -2.228 571 3HG2 THR 70 1HG2 THR 70 -9.961 -2.289 -3.536 572 H GLU 71 H GLU 71 -6.638 -4.706 -6.216 573 HA GLU 71 HA GLU 71 -4.080 -5.756 -6.214 574 1HB GLU 71 1HB GLU 71 -5.272 -3.459 -7.829 575 2HB GLU 71 2HB GLU 71 -3.705 -4.179 -8.203 576 1HG GLU 71 1HG GLU 71 -4.638 -6.234 -8.888 577 2HG GLU 71 2HG GLU 71 -6.211 -5.893 -8.154 578 H VAL 72 H VAL 72 -4.940 -2.323 -6.073 579 HA VAL 72 HA VAL 72 -2.426 -1.207 -5.895 580 HB VAL 72 HB VAL 72 -4.361 0.062 -6.433 581 1HG1 VAL 72 2HG1 VAL 72 -5.318 -0.523 -3.608 582 2HG1 VAL 72 3HG1 VAL 72 -6.014 0.737 -4.646 583 3HG1 VAL 72 1HG1 VAL 72 -6.116 -0.957 -5.133 584 1HG2 VAL 72 3HG2 VAL 72 -2.412 1.192 -5.250 585 2HG2 VAL 72 1HG2 VAL 72 -3.968 2.047 -5.212 586 3HG2 VAL 72 2HG2 VAL 72 -3.418 1.169 -3.781 587 H ARG 73 H ARG 73 -4.120 -2.876 -3.294 588 HA ARG 73 HA ARG 73 -2.495 -1.677 -1.166 589 1HB ARG 73 1HB ARG 73 -4.254 -4.130 -1.237 590 2HB ARG 73 2HB ARG 73 -3.445 -3.511 0.191 591 1HG ARG 73 1HG ARG 73 -5.689 -2.189 -1.392 592 2HG ARG 73 2HG ARG 73 -5.750 -2.851 0.238 593 1HD ARG 73 1HD ARG 73 -5.404 -0.743 0.909 594 2HD ARG 73 2HD ARG 73 -3.719 -1.066 0.589 595 HE ARG 73 HE ARG 73 -3.786 0.352 -1.266 596 1HH1 ARG 73 2HH2 ARG 73 -7.230 -0.429 -0.436 597 2HH1 ARG 73 1HH2 ARG 73 -7.748 1.079 -1.161 598 1HH2 ARG 73 2HH1 ARG 73 -4.716 2.226 -2.335 599 2HH2 ARG 73 1HH1 ARG 73 -6.453 2.405 -2.282 600 H VAL 74 H VAL 74 -2.734 -4.835 -2.804 601 HA VAL 74 HA VAL 74 -0.386 -6.000 -1.655 602 HB VAL 74 HB VAL 74 -1.709 -6.319 -4.427 603 1HG1 VAL 74 2HG1 VAL 74 0.578 -7.255 -4.474 604 2HG1 VAL 74 3HG1 VAL 74 0.192 -8.228 -3.033 605 3HG1 VAL 74 1HG1 VAL 74 -0.671 -8.498 -4.567 606 1HG2 VAL 74 2HG2 VAL 74 -3.247 -6.877 -2.535 607 2HG2 VAL 74 3HG2 VAL 74 -2.838 -8.271 -3.534 608 3HG2 VAL 74 1HG2 VAL 74 -2.057 -8.070 -1.961 609 H TYR 75 H TYR 75 -0.920 -3.810 -4.428 610 HA TYR 75 HA TYR 75 1.675 -3.712 -5.447 611 1HB TYR 75 1HB TYR 75 -0.532 -2.609 -6.262 612 2HB TYR 75 2HB TYR 75 -0.056 -1.227 -5.278 613 HD1 TYR 75 1HD TYR 75 2.627 -0.584 -5.677 614 HD2 TYR 75 2HD TYR 75 -0.044 -2.445 -8.512 615 HE1 TYR 75 1HE TYR 75 4.332 -0.369 -7.435 616 HE2 TYR 75 2HE TYR 75 1.587 -1.997 -10.317 617 HH TYR 75 HH TYR 75 4.852 -0.715 -9.672 618 H ASN 76 H ASN 76 0.229 -1.521 -2.901 619 HA ASN 76 HA ASN 76 2.775 -0.291 -2.397 620 1HB ASN 76 1HB ASN 76 1.926 0.630 -0.347 621 2HB ASN 76 2HB ASN 76 0.857 0.907 -1.698 622 1HD2 ASN 76 2HD2 ASN 76 -1.876 -0.141 0.158 623 2HD2 ASN 76 1HD2 ASN 76 -1.171 0.850 -1.123 624 H TRP 77 H TRP 77 1.430 -3.339 -1.228 625 HA TRP 77 HA TRP 77 3.488 -3.675 0.771 626 1HB TRP 77 1HB TRP 77 1.308 -4.842 0.610 627 2HB TRP 77 2HB TRP 77 1.949 -5.889 -0.630 628 HD1 TRP 77 HD TRP 77 1.699 -5.355 2.939 629 HE1 TRP 77 1HE TRP 77 2.895 -7.189 4.310 630 HE3 TRP 77 3HE TRP 77 4.305 -7.549 -0.833 631 HZ2 TRP 77 2HZ TRP 77 4.549 -9.533 3.693 632 HZ3 TRP 77 3HZ TRP 77 5.358 -9.736 -0.487 633 HH2 TRP 77 HH TRP 77 5.459 -10.772 1.740 634 H PHE 78 H PHE 78 3.168 -5.419 -2.349 635 HA PHE 78 HA PHE 78 5.704 -6.526 -2.486 636 1HB PHE 78 1HB PHE 78 3.673 -5.812 -4.594 637 2HB PHE 78 2HB PHE 78 5.270 -6.397 -5.038 638 HD1 PHE 78 1HD PHE 78 2.572 -7.394 -2.544 639 HD2 PHE 78 2HD PHE 78 5.368 -8.698 -5.575 640 HE1 PHE 78 1HE PHE 78 2.301 -9.735 -1.815 641 HE2 PHE 78 2HE PHE 78 4.904 -11.028 -4.970 642 HZ PHE 78 HZ PHE 78 3.534 -11.556 -2.970 643 H ALA 79 H ALA 79 4.682 -3.373 -3.882 644 HA ALA 79 HA ALA 79 7.142 -2.690 -5.085 645 1HB ALA 79 2HB ALA 79 5.016 -1.506 -5.449 646 2HB ALA 79 3HB ALA 79 5.105 -0.819 -3.811 647 3HB ALA 79 1HB ALA 79 6.325 -0.395 -5.025 648 H ASN 80 H ASN 80 5.920 -2.001 -1.764 649 HA ASN 80 HA ASN 80 8.338 -0.660 -0.928 650 1HB ASN 80 1HB ASN 80 6.129 -0.318 0.154 651 2HB ASN 80 2HB ASN 80 6.161 -1.999 0.722 652 1HD2 ASN 80 2HD2 ASN 80 7.660 -0.895 3.723 653 2HD2 ASN 80 1HD2 ASN 80 6.461 -1.874 2.896 654 H ARG 81 H ARG 81 7.248 -3.999 -1.001 655 HA ARG 81 HA ARG 81 9.210 -5.146 0.676 656 1HB ARG 81 1HB ARG 81 7.026 -6.067 -0.827 657 2HB ARG 81 2HB ARG 81 8.397 -6.776 -1.674 658 1HG ARG 81 1HG ARG 81 7.639 -8.333 -0.021 659 2HG ARG 81 2HG ARG 81 9.154 -7.641 0.596 660 1HD ARG 81 1HD ARG 81 7.831 -6.049 1.967 661 2HD ARG 81 2HD ARG 81 6.332 -6.722 1.356 662 HE ARG 81 HE ARG 81 7.586 -8.930 2.395 663 1HH1 ARG 81 2HH2 ARG 81 7.023 -5.708 3.769 664 2HH1 ARG 81 1HH2 ARG 81 6.922 -6.255 5.379 665 1HH2 ARG 81 2HH1 ARG 81 7.445 -9.686 4.360 666 2HH2 ARG 81 1HH1 ARG 81 6.981 -8.725 5.774 667 H ARG 82 H ARG 82 9.283 -4.344 -2.797 668 HA ARG 82 HA ARG 82 11.881 -5.254 -3.373 669 1HB ARG 82 1HB ARG 82 10.941 -2.487 -4.204 670 2HB ARG 82 2HB ARG 82 12.116 -3.538 -4.992 671 1HG ARG 82 1HG ARG 82 10.239 -5.150 -5.525 672 2HG ARG 82 2HG ARG 82 9.109 -3.964 -4.850 673 1HD ARG 82 1HD ARG 82 10.216 -2.223 -6.410 674 2HD ARG 82 2HD ARG 82 10.958 -3.581 -7.243 675 HE ARG 82 HE ARG 82 8.188 -2.619 -7.329 676 1HH1 ARG 82 2HH2 ARG 82 10.226 -5.393 -8.092 677 2HH1 ARG 82 1HH2 ARG 82 9.505 -5.618 -9.659 678 1HH2 ARG 82 2HH1 ARG 82 7.027 -3.119 -8.988 679 2HH2 ARG 82 1HH1 ARG 82 7.219 -4.548 -9.973 680 H LYS 83 H LYS 83 10.921 -2.189 -1.735 681 HA LYS 83 HA LYS 83 13.646 -1.313 -1.369 682 1HB LYS 83 1HB LYS 83 11.137 -0.452 0.096 683 2HB LYS 83 2HB LYS 83 12.706 0.348 0.182 684 1HG LYS 83 1HG LYS 83 11.214 -0.062 -2.453 685 2HG LYS 83 2HG LYS 83 10.966 1.334 -1.421 686 1HD LYS 83 1HD LYS 83 13.803 0.625 -2.284 687 2HD LYS 83 2HD LYS 83 12.740 1.418 -3.421 688 1HE LYS 83 1HE LYS 83 13.221 2.535 -0.619 689 2HE LYS 83 2HE LYS 83 14.259 2.897 -2.002 690 1HZ LYS 83 3HZ LYS 83 12.429 3.820 -3.158 691 2HZ LYS 83 1HZ LYS 83 11.369 3.557 -1.892 692 3HZ LYS 83 2HZ LYS 83 12.661 4.573 -1.752 693 H GLU 84 H GLU 84 11.417 -3.198 0.645 694 HA GLU 84 HA GLU 84 13.175 -3.432 2.860 695 1HB GLU 84 1HB GLU 84 10.636 -4.147 2.542 696 2HB GLU 84 2HB GLU 84 11.321 -5.696 2.081 697 1HG GLU 84 1HG GLU 84 12.157 -6.122 4.210 698 2HG GLU 84 2HG GLU 84 12.293 -4.426 4.665 699 H GLU 85 H GLU 85 13.547 -4.745 -0.340 700 HA GLU 85 HA GLU 85 15.994 -6.133 0.627 701 1HB GLU 85 1HB GLU 85 13.878 -7.592 -0.129 702 2HB GLU 85 2HB GLU 85 14.369 -7.116 -1.761 703 1HG GLU 85 1HG GLU 85 16.641 -8.081 -1.302 704 2HG GLU 85 2HG GLU 85 16.118 -8.407 0.357 705 H ALA 86 H ALA 86 15.467 -3.440 -0.466 706 HA ALA 86 HA ALA 86 17.569 -3.515 -2.612 707 1HB ALA 86 1HB ALA 86 15.432 -3.383 -3.774 708 2HB ALA 86 2HB ALA 86 15.040 -1.892 -2.886 709 3HB ALA 86 3HB ALA 86 16.422 -1.923 -3.971 710 H PHE 87 H PHE 87 15.998 -1.756 0.026 711 HA PHE 87 HA PHE 87 17.473 0.648 -0.143 712 1HB PHE 87 1HB PHE 87 15.493 0.179 1.350 713 2HB PHE 87 2HB PHE 87 16.510 -0.782 2.394 714 HD1 PHE 87 2HD PHE 87 18.435 0.372 3.666 715 HD2 PHE 87 1HD PHE 87 15.543 2.568 1.314 716 HE1 PHE 87 2HE PHE 87 19.312 2.503 4.554 717 HE2 PHE 87 1HE PHE 87 16.414 4.680 2.236 718 HZ PHE 87 HZ PHE 87 18.344 4.655 3.800 719 H ARG 88 H ARG 88 18.124 -2.207 1.980 720 HA ARG 88 HA ARG 88 20.730 -1.339 2.680 721 1HB ARG 88 1HB ARG 88 19.029 -3.057 3.765 722 2HB ARG 88 2HB ARG 88 19.804 -4.254 2.739 723 1HG ARG 88 1HG ARG 88 21.308 -2.339 4.591 724 2HG ARG 88 2HG ARG 88 20.662 -3.875 5.171 725 1HD ARG 88 1HD ARG 88 22.765 -3.608 2.964 726 2HD ARG 88 2HD ARG 88 23.076 -3.977 4.633 727 HE ARG 88 HE ARG 88 21.769 -5.694 2.578 728 1HH1 ARG 88 2HH2 ARG 88 23.731 -5.724 5.445 729 2HH1 ARG 88 1HH2 ARG 88 22.844 -6.966 6.312 730 1HH2 ARG 88 2HH1 ARG 88 21.072 -7.887 3.327 731 2HH2 ARG 88 1HH1 ARG 88 22.010 -8.523 4.657 732 H HIS 89 H HIS 89 19.394 -3.420 0.191 733 HA HIS 89 HA HIS 89 21.670 -4.833 -0.636 734 1HB HIS 89 1HB HIS 89 18.962 -4.699 -1.294 735 2HB HIS 89 2HB HIS 89 19.755 -4.176 -2.783 736 HD1 HIS 89 1HD HIS 89 21.241 -6.108 -4.017 737 HD2 HIS 89 2HD HIS 89 19.043 -7.196 -0.592 738 HE1 HIS 89 1HE HIS 89 21.058 -8.657 -4.033 739 H LYS 90 H LYS 90 20.391 -1.631 -1.533 740 HA LYS 90 HA LYS 90 22.376 -1.314 -3.679 741 1HB LYS 90 1HB LYS 90 20.024 -0.367 -3.706 742 2HB LYS 90 2HB LYS 90 20.571 0.829 -2.519 743 1HG LYS 90 1HG LYS 90 22.474 1.347 -4.217 744 2HG LYS 90 2HG LYS 90 21.564 0.317 -5.350 745 1HD LYS 90 1HD LYS 90 19.520 1.843 -4.703 746 2HD LYS 90 2HD LYS 90 20.727 2.953 -4.058 747 1HE LYS 90 1HE LYS 90 20.453 1.963 -6.947 748 2HE LYS 90 2HE LYS 90 20.209 3.613 -6.329 749 1HZ LYS 90 3HZ LYS 90 22.555 3.598 -5.703 750 2HZ LYS 90 1HZ LYS 90 22.786 2.189 -6.566 751 3HZ LYS 90 2HZ LYS 90 22.318 3.570 -7.300 752 H LEU 91 H LEU 91 21.658 0.333 -0.558 753 HA LEU 91 HA LEU 91 23.831 2.059 -0.627 754 1HB LEU 91 1HB LEU 91 22.082 0.947 1.566 755 2HB LEU 91 2HB LEU 91 23.421 2.018 1.970 756 HG LEU 91 HG LEU 91 22.525 3.871 0.959 757 1HD1 LEU 91 1HD1 LEU 91 20.502 2.190 -0.582 758 2HD1 LEU 91 2HD1 LEU 91 20.574 3.955 -0.543 759 3HD1 LEU 91 3HD1 LEU 91 21.891 3.053 -1.289 760 1HD2 LEU 91 1HD2 LEU 91 21.278 3.075 2.959 761 2HD2 LEU 91 2HD2 LEU 91 20.259 4.042 1.866 762 3HD2 LEU 91 3HD2 LEU 91 20.125 2.270 1.867 763 H ALA 92 H ALA 92 23.553 -1.056 1.101 764 HA ALA 92 HA ALA 92 25.063 -2.350 2.187 765 1HB ALA 92 3HB ALA 92 25.371 -2.823 -0.232 766 2HB ALA 92 1HB ALA 92 26.713 -1.658 -0.263 767 3HB ALA 92 2HB ALA 92 26.843 -3.126 0.715 768 H MET 93 H MET 93 25.290 0.526 2.947 769 HA MET 93 HA MET 93 27.663 0.214 4.536 770 1HB MET 93 1HB MET 93 27.790 1.837 2.130 771 2HB MET 93 2HB MET 93 27.904 2.926 3.504 772 1HG MET 93 1HG MET 93 29.594 0.465 3.031 773 2HG MET 93 2HG MET 93 30.088 2.145 2.822 774 1HE MET 93 2HE MET 93 31.654 -0.138 4.376 775 2HE MET 93 3HE MET 93 32.266 1.524 4.184 776 3HE MET 93 1HE MET 93 32.244 0.757 5.787 777 H ASP 94 H ASP 94 25.019 0.042 5.184 778 HA ASP 94 HA ASP 94 24.613 2.351 6.990 779 1HB ASP 94 1HB ASP 94 23.278 2.955 5.002 780 2HB ASP 94 2HB ASP 94 22.405 1.421 5.064 781 H THR 95 H THR 95 22.838 -0.355 5.760 782 HA THR 95 HA THR 95 22.471 -2.451 6.490 783 HB THR 95 HB THR 95 22.882 -1.811 9.388 784 HG1 THR 95 1HG THR 95 24.747 -2.186 7.327 785 1HG2 THR 95 2HG2 THR 95 21.780 -4.005 8.755 786 2HG2 THR 95 3HG2 THR 95 23.161 -4.349 7.699 787 3HG2 THR 95 1HG2 THR 95 23.395 -4.229 9.442 788 H TYR 96 H TYR 96 20.811 -2.273 9.292 789 HA TYR 96 HA TYR 96 18.602 -2.611 9.495 790 1HB TYR 96 1HB TYR 96 19.086 -0.147 9.968 791 2HB TYR 96 2HB TYR 96 18.346 0.235 8.432 792 HD1 TYR 96 1HD TYR 96 17.817 -1.720 11.588 793 HD2 TYR 96 2HD TYR 96 16.021 0.914 8.700 794 HE1 TYR 96 1HE TYR 96 16.082 -1.099 13.191 795 HE2 TYR 96 2HE TYR 96 14.219 1.419 10.268 796 HH TYR 96 HH TYR 96 13.228 0.816 12.286 797 H LYS 97 H LYS 97 16.732 -0.920 7.639 798 HA LYS 97 HA LYS 97 17.101 -1.971 4.988 799 1HB LYS 97 1HB LYS 97 15.048 -3.030 6.917 800 2HB LYS 97 2HB LYS 97 14.452 -2.723 5.296 801 1HG LYS 97 1HG LYS 97 15.618 -4.387 4.319 802 2HG LYS 97 2HG LYS 97 16.992 -4.300 5.403 803 1HD LYS 97 1HD LYS 97 15.802 -5.345 7.211 804 2HD LYS 97 2HD LYS 97 14.285 -5.345 6.311 805 1HE LYS 97 1HE LYS 97 16.755 -6.773 5.197 806 2HE LYS 97 2HE LYS 97 15.782 -7.529 6.455 807 1HZ LYS 97 3HZ LYS 97 13.875 -7.407 5.107 808 2HZ LYS 97 1HZ LYS 97 14.702 -6.700 3.849 809 3HZ LYS 97 2HZ LYS 97 15.082 -8.230 4.338 810 H LEU 98 H LEU 98 16.765 0.642 6.738 811 HA LEU 98 HA LEU 98 15.312 2.190 4.953 812 1HB LEU 98 1HB LEU 98 13.535 0.630 6.428 813 2HB LEU 98 2HB LEU 98 13.601 2.045 7.435 814 HG LEU 98 HG LEU 98 13.040 2.038 4.434 815 1HD1 LEU 98 2HD1 LEU 98 11.130 2.225 6.812 816 2HD1 LEU 98 3HD1 LEU 98 10.667 2.422 5.111 817 3HD1 LEU 98 1HD1 LEU 98 11.265 0.858 5.682 818 1HD2 LEU 98 2HD2 LEU 98 12.712 4.243 6.516 819 2HD2 LEU 98 3HD2 LEU 98 13.899 4.207 5.190 820 3HD2 LEU 98 1HD2 LEU 98 12.172 4.314 4.824 821 H ASN 99 H ASN 99 17.732 2.418 6.107 822 HA ASN 99 HA ASN 99 19.136 3.470 7.440 823 1HB ASN 99 2HB ASN 99 19.079 5.845 7.530 824 2HB ASN 99 3HB ASN 99 18.523 5.318 5.953 825 1HD2 ASN 99 2HD2 ASN 99 16.058 7.407 8.579 826 2HD2 ASN 99 1HD2 ASN 99 17.347 6.339 9.135 No H/Q in entry = 826 Start of MODEL 17 1 1H MET 0 2H MET 0 4.350 8.861 20.567 2 2H MET 0 3H MET 0 5.911 9.365 20.502 3 3H MET 0 1H MET 0 4.939 9.418 19.135 4 HA MET 0 HA MET 0 6.220 7.567 18.783 5 1HB MET 0 2HB MET 0 6.566 7.545 21.517 6 2HB MET 0 3HB MET 0 5.416 6.229 21.354 7 1HG MET 0 2HG MET 0 7.667 5.331 21.277 8 2HG MET 0 3HG MET 0 6.945 5.198 19.675 9 1HE MET 0 1HE MET 0 9.592 6.945 21.890 10 2HE MET 0 2HE MET 0 10.336 8.102 20.766 11 3HE MET 0 3HE MET 0 8.690 8.383 21.355 12 H ALA 1 H ALA 1 5.151 5.499 17.937 13 HA ALA 1 HA ALA 1 2.598 4.707 19.006 14 1HB ALA 1 2HB ALA 1 2.612 5.892 16.201 15 2HB ALA 1 3HB ALA 1 1.281 4.977 16.935 16 3HB ALA 1 1HB ALA 1 1.755 6.541 17.616 17 H ARG 2 H ARG 2 2.137 2.640 18.454 18 HA ARG 2 HA ARG 2 4.209 0.933 18.213 19 1HB ARG 2 1HB ARG 2 1.781 0.624 19.045 20 2HB ARG 2 2HB ARG 2 1.351 0.257 17.392 21 1HG ARG 2 1HG ARG 2 1.647 -1.860 18.322 22 2HG ARG 2 2HG ARG 2 3.194 -1.581 17.525 23 1HD ARG 2 1HD ARG 2 4.101 -2.145 19.519 24 2HD ARG 2 2HD ARG 2 3.708 -0.527 20.033 25 HE ARG 2 HE ARG 2 2.691 -3.021 20.992 26 1HH1 ARG 2 2HH2 ARG 2 2.113 0.457 21.179 27 2HH1 ARG 2 1HH2 ARG 2 0.633 0.264 22.077 28 1HH2 ARG 2 2HH1 ARG 2 0.833 -3.206 22.431 29 2HH2 ARG 2 1HH1 ARG 2 0.044 -1.708 22.860 30 H ILE 3 H ILE 3 5.545 1.565 16.275 31 HA ILE 3 HA ILE 3 4.543 1.045 13.629 32 HB ILE 3 HB ILE 3 6.695 1.235 12.823 33 1HG1 ILE 3 1HG1 ILE 3 7.992 -0.331 14.024 34 2HG1 ILE 3 2HG1 ILE 3 8.765 1.247 14.073 35 1HG2 ILE 3 1HG2 ILE 3 5.775 3.318 13.684 36 2HG2 ILE 3 2HG2 ILE 3 6.655 3.099 15.205 37 3HG2 ILE 3 3HG2 ILE 3 7.537 3.302 13.679 38 1HD1 ILE 3 3HD1 ILE 3 7.929 1.561 16.402 39 2HD1 ILE 3 1HD1 ILE 3 7.304 -0.088 16.346 40 3HD1 ILE 3 2HD1 ILE 3 9.040 0.199 16.202 41 H ASP 4 H ASP 4 5.277 -0.808 12.236 42 HA ASP 4 HA ASP 4 4.845 -3.281 13.731 43 1HB ASP 4 1HB ASP 4 4.904 -4.443 11.585 44 2HB ASP 4 2HB ASP 4 3.612 -3.272 11.814 45 HA PRO 5 HA PRO 5 9.207 -3.891 14.109 46 1HB PRO 5 1HB PRO 5 9.307 -6.305 15.318 47 2HB PRO 5 2HB PRO 5 8.558 -4.886 16.104 48 1HG PRO 5 1HG PRO 5 7.145 -7.119 14.612 49 2HG PRO 5 2HG PRO 5 6.747 -6.435 16.211 50 1HD PRO 5 1HD PRO 5 5.478 -5.588 13.932 51 2HD PRO 5 2HD PRO 5 5.851 -4.492 15.299 52 H THR 6 H THR 6 7.368 -6.500 12.518 53 HA THR 6 HA THR 6 9.521 -6.901 10.578 54 HB THR 6 HB THR 6 8.734 -9.281 12.320 55 HG1 THR 6 1HG THR 6 10.795 -7.387 12.518 56 1HG2 THR 6 1HG2 THR 6 9.576 -9.812 10.022 57 2HG2 THR 6 2HG2 THR 6 11.044 -8.870 10.372 58 3HG2 THR 6 3HG2 THR 6 10.685 -10.338 11.294 59 H LYS 7 H LYS 7 6.623 -8.762 11.762 60 HA LYS 7 HA LYS 7 5.760 -9.184 9.042 61 1HB LYS 7 1HB LYS 7 3.983 -10.446 9.898 62 2HB LYS 7 2HB LYS 7 5.483 -10.909 10.689 63 1HG LYS 7 1HG LYS 7 4.600 -9.262 12.628 64 2HG LYS 7 2HG LYS 7 3.060 -9.464 11.785 65 1HD LYS 7 1HD LYS 7 2.985 -11.220 13.332 66 2HD LYS 7 2HD LYS 7 3.565 -12.019 11.866 67 1HE LYS 7 1HE LYS 7 5.971 -11.575 12.759 68 2HE LYS 7 2HE LYS 7 5.210 -11.085 14.271 69 1HZ LYS 7 2HZ LYS 7 4.861 -13.747 13.046 70 2HZ LYS 7 3HZ LYS 7 5.965 -13.367 14.210 71 3HZ LYS 7 1HZ LYS 7 4.342 -13.254 14.529 72 H LYS 8 H LYS 8 5.404 -7.406 8.212 73 HA LYS 8 HA LYS 8 4.184 -5.106 9.608 74 1HB LYS 8 1HB LYS 8 5.479 -3.764 7.952 75 2HB LYS 8 2HB LYS 8 6.477 -4.824 8.976 76 1HG LYS 8 1HG LYS 8 6.533 -6.402 6.935 77 2HG LYS 8 2HG LYS 8 5.779 -5.093 6.026 78 1HD LYS 8 1HD LYS 8 8.445 -5.008 7.548 79 2HD LYS 8 2HD LYS 8 8.236 -5.102 5.806 80 1HE LYS 8 1HE LYS 8 8.750 -2.862 6.136 81 2HE LYS 8 2HE LYS 8 6.994 -2.827 5.958 82 1HZ LYS 8 1HZ LYS 8 6.921 -2.651 8.475 83 2HZ LYS 8 2HZ LYS 8 8.529 -2.604 8.505 84 3HZ LYS 8 3HZ LYS 8 7.704 -1.440 7.721 85 H GLY 9 H GLY 9 3.439 -3.351 8.045 86 1HA GLY 9 1HA GLY 9 2.156 -2.725 6.109 87 2HA GLY 9 2HA GLY 9 1.730 -4.414 5.811 88 H ARG 10 H ARG 10 1.542 -1.960 8.410 89 HA ARG 10 HA ARG 10 -1.354 -2.402 8.560 90 1HB ARG 10 1HB ARG 10 -1.294 -2.151 11.050 91 2HB ARG 10 2HB ARG 10 -0.749 -3.706 10.420 92 1HG ARG 10 1HG ARG 10 1.560 -3.206 10.829 93 2HG ARG 10 2HG ARG 10 1.224 -1.502 11.159 94 1HD ARG 10 1HD ARG 10 1.572 -2.629 13.275 95 2HD ARG 10 2HD ARG 10 -0.117 -2.116 13.143 96 HE ARG 10 HE ARG 10 0.204 -4.837 12.206 97 1HH1 ARG 10 2HH2 ARG 10 -0.293 -2.868 15.168 98 2HH1 ARG 10 1HH2 ARG 10 -0.791 -4.300 16.050 99 1HH2 ARG 10 2HH1 ARG 10 -0.553 -6.559 13.493 100 2HH2 ARG 10 1HH1 ARG 10 -0.861 -6.288 15.206 101 H ARG 11 H ARG 11 -1.047 -0.562 7.053 102 HA ARG 11 HA ARG 11 -0.078 1.868 8.022 103 1HB ARG 11 1HB ARG 11 -1.003 0.921 5.542 104 2HB ARG 11 2HB ARG 11 -2.267 2.035 6.027 105 1HG ARG 11 1HG ARG 11 -0.772 3.387 4.818 106 2HG ARG 11 2HG ARG 11 -0.346 3.741 6.497 107 1HD ARG 11 1HD ARG 11 1.472 1.990 6.341 108 2HD ARG 11 2HD ARG 11 0.991 1.710 4.667 109 HE ARG 11 HE ARG 11 1.617 4.506 5.207 110 1HH1 ARG 11 2HH2 ARG 11 2.808 1.570 3.766 111 2HH1 ARG 11 1HH2 ARG 11 4.506 1.891 3.980 112 1HH2 ARG 11 2HH1 ARG 11 3.865 5.266 5.025 113 2HH2 ARG 11 1HH1 ARG 11 5.052 4.200 4.290 114 H ASN 12 H ASN 12 -1.513 3.789 8.510 115 HA ASN 12 HA ASN 12 -3.597 3.293 10.339 116 1HB ASN 12 1HB ASN 12 -2.525 5.477 10.145 117 2HB ASN 12 2HB ASN 12 -3.244 5.730 8.540 118 1HD2 ASN 12 2HD2 ASN 12 -6.457 6.564 9.918 119 2HD2 ASN 12 1HD2 ASN 12 -5.548 6.366 8.421 120 H ARG 13 H ARG 13 -3.952 4.334 6.920 121 HA ARG 13 HA ARG 13 -6.726 4.137 6.809 122 1HB ARG 13 1HB ARG 13 -6.507 4.037 4.370 123 2HB ARG 13 2HB ARG 13 -5.506 5.295 5.090 124 1HG ARG 13 1HG ARG 13 -3.497 3.774 4.871 125 2HG ARG 13 2HG ARG 13 -4.520 2.653 3.945 126 1HD ARG 13 1HD ARG 13 -3.916 5.536 3.221 127 2HD ARG 13 2HD ARG 13 -3.232 4.113 2.456 128 HE ARG 13 HE ARG 13 -6.003 5.180 2.211 129 1HH1 ARG 13 2HH2 ARG 13 -3.838 2.507 1.239 130 2HH1 ARG 13 1HH2 ARG 13 -4.556 2.384 -0.339 131 1HH2 ARG 13 2HH1 ARG 13 -6.964 4.944 0.352 132 2HH2 ARG 13 1HH1 ARG 13 -6.320 3.926 -0.942 133 H PHE 14 H PHE 14 -4.342 1.662 5.864 134 HA PHE 14 HA PHE 14 -6.410 -0.459 5.821 135 1HB PHE 14 1HB PHE 14 -6.009 0.467 3.576 136 2HB PHE 14 2HB PHE 14 -4.272 0.329 3.794 137 HD1 PHE 14 2HD PHE 14 -7.212 -2.028 4.156 138 HD2 PHE 14 1HD PHE 14 -3.196 -1.404 2.697 139 HE1 PHE 14 2HE PHE 14 -7.167 -4.319 3.246 140 HE2 PHE 14 1HE PHE 14 -3.177 -3.702 1.800 141 HZ PHE 14 HZ PHE 14 -5.159 -5.170 2.067 142 H LYS 15 H LYS 15 -5.683 -2.320 6.720 143 HA LYS 15 HA LYS 15 -2.791 -2.855 6.875 144 1HB LYS 15 1HB LYS 15 -3.110 -3.948 9.074 145 2HB LYS 15 2HB LYS 15 -3.404 -2.192 9.166 146 1HG LYS 15 1HG LYS 15 -5.751 -2.467 9.243 147 2HG LYS 15 2HG LYS 15 -5.671 -4.209 8.940 148 1HD LYS 15 1HD LYS 15 -4.942 -4.748 10.990 149 2HD LYS 15 2HD LYS 15 -4.013 -3.271 11.245 150 1HE LYS 15 1HE LYS 15 -7.058 -3.349 11.319 151 2HE LYS 15 2HE LYS 15 -6.022 -3.533 12.744 152 1HZ LYS 15 2HZ LYS 15 -5.908 -1.147 10.985 153 2HZ LYS 15 3HZ LYS 15 -6.738 -1.198 12.384 154 3HZ LYS 15 1HZ LYS 15 -5.127 -1.346 12.394 155 H TRP 16 H TRP 16 -2.323 -5.046 6.771 156 HA TRP 16 HA TRP 16 -4.326 -6.754 5.395 157 1HB TRP 16 1HB TRP 16 -1.384 -7.088 6.115 158 2HB TRP 16 2HB TRP 16 -2.345 -8.218 5.162 159 HD1 TRP 16 HD TRP 16 -1.015 -4.583 4.917 160 HE1 TRP 16 1HE TRP 16 -0.553 -4.030 2.505 161 HE3 TRP 16 3HE TRP 16 -3.005 -8.779 2.771 162 HZ2 TRP 16 2HZ TRP 16 -1.043 -5.251 -0.077 163 HZ3 TRP 16 3HZ TRP 16 -2.997 -9.076 0.384 164 HH2 TRP 16 HH TRP 16 -2.100 -7.280 -1.117 165 H GLY 17 H GLY 17 -5.505 -8.286 6.659 166 1HA GLY 17 1HA GLY 17 -5.214 -8.031 9.533 167 2HA GLY 17 2HA GLY 17 -6.398 -8.963 8.600 168 HA PRO 18 HA PRO 18 -3.387 -12.092 10.353 169 1HB PRO 18 1HB PRO 18 -5.286 -13.676 11.558 170 2HB PRO 18 2HB PRO 18 -4.523 -12.291 12.393 171 1HG PRO 18 1HG PRO 18 -7.179 -12.330 10.940 172 2HG PRO 18 2HG PRO 18 -6.857 -11.701 12.575 173 1HD PRO 18 1HD PRO 18 -6.961 -10.063 10.439 174 2HD PRO 18 2HD PRO 18 -5.735 -9.790 11.705 175 H ALA 19 H ALA 19 -3.240 -14.144 9.346 176 HA ALA 19 HA ALA 19 -3.470 -15.778 7.916 177 1HB ALA 19 1HB ALA 19 -5.798 -15.881 8.754 178 2HB ALA 19 2HB ALA 19 -6.301 -14.931 7.327 179 3HB ALA 19 3HB ALA 19 -5.511 -16.521 7.115 180 H SER 20 H SER 20 -4.828 -12.724 6.749 181 HA SER 20 HA SER 20 -4.074 -12.572 4.143 182 1HB SER 20 1HB SER 20 -4.792 -10.801 6.065 183 2HB SER 20 2HB SER 20 -3.049 -10.454 6.053 184 HG SER 20 HG SER 20 -5.011 -10.110 4.109 185 H GLN 21 H GLN 21 -1.899 -12.322 6.952 186 HA GLN 21 HA GLN 21 0.477 -11.770 5.495 187 1HB GLN 21 1HB GLN 21 0.161 -13.000 8.264 188 2HB GLN 21 2HB GLN 21 1.632 -12.249 7.627 189 1HG GLN 21 1HG GLN 21 -1.011 -10.800 8.135 190 2HG GLN 21 2HG GLN 21 0.428 -10.779 9.148 191 1HE2 GLN 21 2HE2 GLN 21 0.516 -8.635 5.619 192 2HE2 GLN 21 1HE2 GLN 21 -0.636 -9.946 5.785 193 H GLN 22 H GLN 22 -0.876 -14.963 6.371 194 HA GLN 22 HA GLN 22 1.624 -16.330 5.751 195 1HB GLN 22 1HB GLN 22 0.190 -18.381 5.501 196 2HB GLN 22 2HB GLN 22 0.167 -17.611 7.096 197 1HG GLN 22 1HG GLN 22 -1.907 -16.636 6.739 198 2HG GLN 22 2HG GLN 22 -1.982 -17.135 5.019 199 1HE2 GLN 22 2HE2 GLN 22 -3.686 -19.393 7.716 200 2HE2 GLN 22 1HE2 GLN 22 -2.832 -17.957 8.264 201 H ILE 23 H ILE 23 -1.276 -15.382 3.926 202 HA ILE 23 HA ILE 23 -0.350 -16.686 1.527 203 HB ILE 23 HB ILE 23 -2.671 -14.975 2.350 204 1HG1 ILE 23 1HG1 ILE 23 -2.796 -17.606 0.882 205 2HG1 ILE 23 2HG1 ILE 23 -2.184 -17.649 2.538 206 1HG2 ILE 23 3HG2 ILE 23 -1.953 -15.680 -0.514 207 2HG2 ILE 23 1HG2 ILE 23 -3.601 -15.291 0.023 208 3HG2 ILE 23 2HG2 ILE 23 -2.322 -14.089 0.223 209 1HD1 ILE 23 1HD1 ILE 23 -4.838 -16.485 1.689 210 2HD1 ILE 23 2HD1 ILE 23 -4.556 -18.050 2.495 211 3HD1 ILE 23 3HD1 ILE 23 -4.186 -16.530 3.352 212 H LEU 24 H LEU 24 -0.132 -13.295 2.711 213 HA LEU 24 HA LEU 24 1.174 -12.379 0.315 214 1HB LEU 24 1HB LEU 24 1.506 -11.592 3.256 215 2HB LEU 24 2HB LEU 24 2.432 -10.852 1.952 216 HG LEU 24 HG LEU 24 -0.581 -10.688 2.349 217 1HD1 LEU 24 1HD1 LEU 24 1.728 -8.694 2.207 218 2HD1 LEU 24 2HD1 LEU 24 0.037 -8.257 2.387 219 3HD1 LEU 24 3HD1 LEU 24 0.832 -9.210 3.651 220 1HD2 LEU 24 1HD2 LEU 24 1.099 -10.264 -0.109 221 2HD2 LEU 24 2HD2 LEU 24 -0.572 -10.813 0.041 222 3HD2 LEU 24 3HD2 LEU 24 -0.180 -9.096 0.223 223 H PHE 25 H PHE 25 2.582 -13.886 3.247 224 HA PHE 25 HA PHE 25 5.244 -13.991 2.310 225 1HB PHE 25 1HB PHE 25 3.706 -15.903 4.107 226 2HB PHE 25 2HB PHE 25 5.371 -16.131 3.652 227 HD1 PHE 25 1HD PHE 25 4.211 -12.649 4.426 228 HD2 PHE 25 2HD PHE 25 6.029 -16.262 5.936 229 HE1 PHE 25 1HE PHE 25 4.708 -11.515 6.558 230 HE2 PHE 25 2HE PHE 25 6.524 -15.116 8.072 231 HZ PHE 25 HZ PHE 25 5.837 -12.741 8.406 232 H GLN 26 H GLN 26 2.531 -16.361 1.777 233 HA GLN 26 HA GLN 26 4.125 -18.215 0.444 234 1HB GLN 26 1HB GLN 26 2.251 -19.457 0.169 235 2HB GLN 26 2HB GLN 26 1.634 -18.315 1.346 236 1HG GLN 26 1HG GLN 26 0.693 -17.012 -0.731 237 2HG GLN 26 2HG GLN 26 1.154 -18.441 -1.637 238 1HE2 GLN 26 2HE2 GLN 26 -2.306 -19.138 -1.136 239 2HE2 GLN 26 1HE2 GLN 26 -1.201 -18.211 -2.107 240 H ALA 27 H ALA 27 2.202 -15.496 -0.957 241 HA ALA 27 HA ALA 27 2.777 -16.147 -3.673 242 1HB ALA 27 1HB ALA 27 2.146 -13.463 -2.369 243 2HB ALA 27 2HB ALA 27 2.192 -13.779 -4.123 244 3HB ALA 27 3HB ALA 27 1.001 -14.612 -3.110 245 H TYR 28 H TYR 28 4.313 -13.779 -1.437 246 HA TYR 28 HA TYR 28 6.387 -12.983 -3.205 247 1HB TYR 28 1HB TYR 28 5.751 -11.753 -1.246 248 2HB TYR 28 2HB TYR 28 6.262 -13.064 -0.175 249 HD1 TYR 28 2HD TYR 28 7.426 -10.383 -2.496 250 HD2 TYR 28 1HD TYR 28 8.619 -13.399 0.335 251 HE1 TYR 28 2HE TYR 28 9.749 -9.545 -2.583 252 HE2 TYR 28 1HE TYR 28 10.895 -12.427 0.388 253 HH TYR 28 HH TYR 28 12.089 -10.248 -1.798 254 H GLU 29 H GLU 29 6.073 -15.829 -1.148 255 HA GLU 29 HA GLU 29 8.803 -16.653 -1.216 256 1HB GLU 29 1HB GLU 29 6.905 -17.506 0.267 257 2HB GLU 29 2HB GLU 29 6.371 -18.493 -1.092 258 1HG GLU 29 1HG GLU 29 8.279 -19.854 -0.954 259 2HG GLU 29 2HG GLU 29 9.213 -18.609 -0.134 260 H ARG 30 H ARG 30 5.932 -17.509 -3.276 261 HA ARG 30 HA ARG 30 7.628 -19.125 -4.927 262 1HB ARG 30 1HB ARG 30 5.771 -19.863 -6.025 263 2HB ARG 30 2HB ARG 30 5.151 -19.482 -4.419 264 1HG ARG 30 1HG ARG 30 4.307 -17.268 -5.425 265 2HG ARG 30 2HG ARG 30 4.798 -17.921 -7.006 266 1HD ARG 30 1HD ARG 30 3.319 -19.941 -6.469 267 2HD ARG 30 2HD ARG 30 2.703 -18.999 -5.095 268 HE ARG 30 HE ARG 30 2.619 -17.642 -7.738 269 1HH1 ARG 30 2HH2 ARG 30 0.898 -20.044 -5.813 270 2HH1 ARG 30 1HH2 ARG 30 -0.680 -19.504 -6.264 271 1HH2 ARG 30 2HH1 ARG 30 0.737 -17.250 -8.685 272 2HH2 ARG 30 1HH1 ARG 30 -0.758 -18.052 -8.244 273 H GLN 31 H GLN 31 5.987 -15.942 -5.541 274 HA GLN 31 HA GLN 31 7.936 -15.397 -7.708 275 1HB GLN 31 1HB GLN 31 5.909 -16.286 -8.707 276 2HB GLN 31 2HB GLN 31 4.913 -15.113 -7.853 277 1HG GLN 31 1HG GLN 31 7.146 -14.105 -9.638 278 2HG GLN 31 2HG GLN 31 5.713 -14.801 -10.390 279 1HE2 GLN 31 2HE2 GLN 31 3.575 -12.111 -9.702 280 2HE2 GLN 31 1HE2 GLN 31 3.867 -13.628 -10.500 281 H LYS 32 H LYS 32 8.709 -13.391 -7.632 282 HA LYS 32 HA LYS 32 8.100 -11.883 -5.126 283 1HB LYS 32 1HB LYS 32 10.568 -12.360 -6.828 284 2HB LYS 32 2HB LYS 32 10.531 -11.198 -5.488 285 1HG LYS 32 1HG LYS 32 9.927 -12.903 -3.894 286 2HG LYS 32 2HG LYS 32 9.641 -14.108 -5.163 287 1HD LYS 32 1HD LYS 32 12.210 -13.689 -5.707 288 2HD LYS 32 2HD LYS 32 12.258 -13.095 -4.044 289 1HE LYS 32 1HE LYS 32 11.338 -15.856 -5.043 290 2HE LYS 32 2HE LYS 32 12.783 -15.514 -4.090 291 1HZ LYS 32 2HZ LYS 32 9.994 -15.226 -3.126 292 2HZ LYS 32 3HZ LYS 32 11.061 -16.437 -2.783 293 3HZ LYS 32 1HZ LYS 32 11.367 -14.942 -2.240 294 H ASN 33 H ASN 33 9.083 -11.401 -8.505 295 HA ASN 33 HA ASN 33 8.707 -8.489 -8.401 296 1HB ASN 33 1HB ASN 33 10.529 -9.025 -9.681 297 2HB ASN 33 2HB ASN 33 9.860 -10.553 -10.241 298 1HD2 ASN 33 2HD2 ASN 33 8.196 -9.354 -13.067 299 2HD2 ASN 33 1HD2 ASN 33 8.057 -10.484 -11.735 300 HA PRO 34 HA PRO 34 4.519 -10.014 -8.653 301 1HB PRO 34 1HB PRO 34 3.055 -7.770 -8.250 302 2HB PRO 34 2HB PRO 34 4.114 -8.463 -6.999 303 1HG PRO 34 1HG PRO 34 4.812 -6.202 -8.914 304 2HG PRO 34 2HG PRO 34 4.939 -6.198 -7.139 305 1HD PRO 34 1HD PRO 34 7.069 -6.808 -8.705 306 2HD PRO 34 2HD PRO 34 6.771 -7.693 -7.181 307 H SER 35 H SER 35 4.377 -10.779 -10.836 308 HA SER 35 HA SER 35 4.506 -9.075 -13.058 309 1HB SER 35 1HB SER 35 4.957 -11.527 -13.078 310 2HB SER 35 2HB SER 35 3.219 -11.851 -12.986 311 HG SER 35 HG SER 35 3.787 -11.772 -15.148 312 H LYS 36 H LYS 36 1.474 -10.936 -12.508 313 HA LYS 36 HA LYS 36 -0.129 -8.606 -12.101 314 1HB LYS 36 1HB LYS 36 0.191 -8.177 -14.430 315 2HB LYS 36 2HB LYS 36 0.044 -9.883 -14.823 316 1HG LYS 36 1HG LYS 36 -1.868 -8.738 -15.636 317 2HG LYS 36 2HG LYS 36 -2.389 -9.840 -14.402 318 1HD LYS 36 1HD LYS 36 -1.993 -6.838 -13.892 319 2HD LYS 36 2HD LYS 36 -3.501 -7.573 -14.480 320 1HE LYS 36 1HE LYS 36 -3.596 -9.055 -12.468 321 2HE LYS 36 2HE LYS 36 -2.209 -8.183 -11.797 322 1HZ LYS 36 1HZ LYS 36 -3.520 -6.192 -11.655 323 2HZ LYS 36 2HZ LYS 36 -4.871 -7.081 -12.206 324 3HZ LYS 36 3HZ LYS 36 -4.139 -7.473 -10.893 325 H GLU 37 H GLU 37 -0.500 -11.788 -13.807 326 HA GLU 37 HA GLU 37 -2.937 -12.321 -12.904 327 1HB GLU 37 1HB GLU 37 -0.517 -13.665 -14.189 328 2HB GLU 37 2HB GLU 37 -1.555 -14.762 -13.332 329 1HG GLU 37 1HG GLU 37 -2.354 -14.513 -15.662 330 2HG GLU 37 2HG GLU 37 -3.582 -13.931 -14.508 331 H GLU 38 H GLU 38 0.131 -13.442 -11.570 332 HA GLU 38 HA GLU 38 -0.400 -14.839 -9.301 333 1HB GLU 38 1HB GLU 38 1.709 -13.202 -10.287 334 2HB GLU 38 2HB GLU 38 1.344 -12.507 -8.715 335 1HG GLU 38 1HG GLU 38 2.895 -14.090 -8.123 336 2HG GLU 38 2HG GLU 38 1.412 -14.974 -7.836 337 H ARG 39 H ARG 39 -0.859 -11.321 -9.766 338 HA ARG 39 HA ARG 39 -1.284 -10.817 -7.024 339 1HB ARG 39 1HB ARG 39 -2.357 -9.100 -9.293 340 2HB ARG 39 2HB ARG 39 -2.115 -8.615 -7.624 341 1HG ARG 39 1HG ARG 39 0.349 -8.871 -7.887 342 2HG ARG 39 2HG ARG 39 0.095 -9.395 -9.562 343 1HD ARG 39 1HD ARG 39 -1.236 -7.218 -9.900 344 2HD ARG 39 2HD ARG 39 -0.567 -6.658 -8.366 345 HE ARG 39 HE ARG 39 1.538 -7.682 -9.879 346 1HH1 ARG 39 2HH2 ARG 39 -0.919 -5.086 -10.401 347 2HH1 ARG 39 1HH2 ARG 39 0.210 -4.079 -11.283 348 1HH2 ARG 39 2HH1 ARG 39 2.829 -6.371 -11.341 349 2HH2 ARG 39 1HH1 ARG 39 2.222 -4.786 -11.852 350 H GLU 40 H GLU 40 -3.469 -11.182 -9.859 351 HA GLU 40 HA GLU 40 -5.816 -10.534 -8.444 352 1HB GLU 40 1HB GLU 40 -5.093 -11.329 -11.120 353 2HB GLU 40 2HB GLU 40 -6.549 -12.207 -10.613 354 1HG GLU 40 1HG GLU 40 -7.272 -10.173 -11.624 355 2HG GLU 40 2HG GLU 40 -7.569 -10.000 -9.900 356 H THR 41 H THR 41 -4.403 -13.693 -9.304 357 HA THR 41 HA THR 41 -5.950 -15.493 -7.850 358 HB THR 41 HB THR 41 -3.116 -15.171 -8.700 359 HG1 THR 41 1HG THR 41 -4.686 -16.276 -9.892 360 1HG2 THR 41 3HG2 THR 41 -3.737 -16.969 -6.361 361 2HG2 THR 41 1HG2 THR 41 -2.438 -17.305 -7.517 362 3HG2 THR 41 2HG2 THR 41 -2.394 -15.824 -6.577 363 H LEU 42 H LEU 42 -3.165 -13.524 -6.629 364 HA LEU 42 HA LEU 42 -3.319 -14.529 -4.022 365 1HB LEU 42 1HB LEU 42 -1.290 -13.589 -4.737 366 2HB LEU 42 2HB LEU 42 -2.066 -12.126 -5.335 367 HG LEU 42 HG LEU 42 -2.562 -11.369 -3.104 368 1HD1 LEU 42 3HD1 LEU 42 -2.604 -13.613 -1.960 369 2HD1 LEU 42 1HD1 LEU 42 -0.855 -13.736 -2.160 370 3HD1 LEU 42 2HD1 LEU 42 -1.544 -12.453 -1.144 371 1HD2 LEU 42 1HD2 LEU 42 -0.478 -10.774 -4.310 372 2HD2 LEU 42 2HD2 LEU 42 -0.284 -10.705 -2.544 373 3HD2 LEU 42 3HD2 LEU 42 0.376 -12.071 -3.471 374 H VAL 43 H VAL 43 -4.955 -11.735 -5.558 375 HA VAL 43 HA VAL 43 -5.958 -10.578 -3.162 376 HB VAL 43 HB VAL 43 -7.154 -10.611 -5.978 377 1HG1 VAL 43 2HG1 VAL 43 -7.890 -9.248 -3.390 378 2HG1 VAL 43 3HG1 VAL 43 -8.468 -8.657 -4.976 379 3HG1 VAL 43 1HG1 VAL 43 -8.932 -10.261 -4.411 380 1HG2 VAL 43 1HG2 VAL 43 -4.970 -9.331 -5.721 381 2HG2 VAL 43 2HG2 VAL 43 -6.360 -8.344 -6.150 382 3HG2 VAL 43 3HG2 VAL 43 -5.755 -8.359 -4.479 383 H GLU 44 H GLU 44 -7.363 -13.018 -5.392 384 HA GLU 44 HA GLU 44 -9.773 -13.457 -3.918 385 1HB GLU 44 1HB GLU 44 -9.762 -14.152 -6.142 386 2HB GLU 44 2HB GLU 44 -8.143 -14.862 -6.021 387 1HG GLU 44 1HG GLU 44 -9.887 -16.502 -6.421 388 2HG GLU 44 2HG GLU 44 -8.906 -16.818 -5.000 389 H GLU 45 H GLU 45 -6.803 -15.447 -4.045 390 HA GLU 45 HA GLU 45 -7.428 -17.298 -2.101 391 1HB GLU 45 1HB GLU 45 -5.043 -16.445 -3.473 392 2HB GLU 45 2HB GLU 45 -4.650 -16.801 -1.790 393 1HG GLU 45 1HG GLU 45 -5.907 -18.986 -2.088 394 2HG GLU 45 2HG GLU 45 -5.955 -18.633 -3.820 395 H CYS 46 H CYS 46 -5.988 -14.112 -1.716 396 HA CYS 46 HA CYS 46 -5.515 -14.198 1.115 397 1HB CYS 46 1HB CYS 46 -4.611 -12.348 -0.555 398 2HB CYS 46 2HB CYS 46 -6.169 -11.585 -0.345 399 HG CYS 46 HG CYS 46 -6.126 -11.464 2.296 400 H ASN 47 H ASN 47 -8.053 -12.707 -0.848 401 HA ASN 47 HA ASN 47 -9.600 -11.590 1.225 402 1HB ASN 47 1HB ASN 47 -10.194 -12.382 -1.655 403 2HB ASN 47 2HB ASN 47 -11.477 -11.801 -0.618 404 1HD2 ASN 47 2HD2 ASN 47 -10.097 -8.858 -2.425 405 2HD2 ASN 47 1HD2 ASN 47 -10.746 -10.416 -2.937 406 H ARG 48 H ARG 48 -9.703 -14.828 -0.260 407 HA ARG 48 HA ARG 48 -12.033 -15.657 1.157 408 1HB ARG 48 1HB ARG 48 -10.864 -16.733 -0.829 409 2HB ARG 48 2HB ARG 48 -9.743 -17.480 0.295 410 1HG ARG 48 1HG ARG 48 -11.368 -18.848 1.277 411 2HG ARG 48 2HG ARG 48 -12.697 -17.759 0.908 412 1HD ARG 48 1HD ARG 48 -11.225 -19.555 -1.052 413 2HD ARG 48 2HD ARG 48 -12.891 -19.764 -0.512 414 HE ARG 48 HE ARG 48 -11.865 -18.085 -2.642 415 1HH1 ARG 48 2HH2 ARG 48 -14.462 -18.201 -0.312 416 2HH1 ARG 48 1HH2 ARG 48 -15.367 -16.873 -0.952 417 1HH2 ARG 48 2HH1 ARG 48 -12.855 -16.303 -3.507 418 2HH2 ARG 48 1HH1 ARG 48 -14.440 -15.800 -3.022 419 H ALA 49 H ALA 49 -8.521 -16.045 1.875 420 HA ALA 49 HA ALA 49 -8.815 -17.220 4.426 421 1HB ALA 49 3HB ALA 49 -6.716 -17.191 3.238 422 2HB ALA 49 1HB ALA 49 -6.585 -15.428 3.402 423 3HB ALA 49 2HB ALA 49 -6.516 -16.461 4.839 424 H GLU 50 H GLU 50 -8.967 -13.864 3.413 425 HA GLU 50 HA GLU 50 -8.861 -12.608 5.965 426 1HB GLU 50 1HB GLU 50 -8.563 -11.772 3.425 427 2HB GLU 50 2HB GLU 50 -10.261 -11.403 3.571 428 1HG GLU 50 1HG GLU 50 -9.218 -9.410 4.145 429 2HG GLU 50 2HG GLU 50 -9.494 -10.102 5.753 430 H CYS 51 H CYS 51 -11.480 -13.547 3.725 431 HA CYS 51 HA CYS 51 -13.738 -12.799 5.179 432 1HB CYS 51 1HB CYS 51 -14.623 -13.399 3.336 433 2HB CYS 51 2HB CYS 51 -13.273 -14.444 2.964 434 HG CYS 51 HG CYS 51 -15.630 -15.680 2.866 435 H ILE 52 H ILE 52 -11.815 -15.769 5.226 436 HA ILE 52 HA ILE 52 -13.393 -17.241 7.094 437 HB ILE 52 HB ILE 52 -10.538 -17.355 6.071 438 1HG1 ILE 52 1HG1 ILE 52 -12.854 -19.278 5.808 439 2HG1 ILE 52 2HG1 ILE 52 -12.557 -17.982 4.667 440 1HG2 ILE 52 1HG2 ILE 52 -11.774 -19.104 8.206 441 2HG2 ILE 52 2HG2 ILE 52 -10.287 -19.519 7.313 442 3HG2 ILE 52 3HG2 ILE 52 -10.319 -18.102 8.348 443 1HD1 ILE 52 1HD1 ILE 52 -10.327 -18.873 4.117 444 2HD1 ILE 52 2HD1 ILE 52 -10.597 -20.244 5.213 445 3HD1 ILE 52 3HD1 ILE 52 -11.611 -20.029 3.778 446 H GLN 53 H GLN 53 -10.601 -15.085 7.393 447 HA GLN 53 HA GLN 53 -9.893 -15.459 10.011 448 1HB GLN 53 1HB GLN 53 -8.548 -13.692 9.691 449 2HB GLN 53 2HB GLN 53 -9.178 -13.667 8.057 450 1HG GLN 53 1HG GLN 53 -11.032 -12.131 9.031 451 2HG GLN 53 2HG GLN 53 -9.941 -11.973 10.424 452 1HE2 GLN 53 2HE2 GLN 53 -7.761 -10.401 7.511 453 2HE2 GLN 53 1HE2 GLN 53 -7.563 -11.943 8.297 454 H ARG 54 H ARG 54 -12.698 -13.533 8.881 455 HA ARG 54 HA ARG 54 -13.501 -13.010 11.712 456 1HB ARG 54 1HB ARG 54 -13.951 -11.629 9.127 457 2HB ARG 54 2HB ARG 54 -15.438 -11.931 10.022 458 1HG ARG 54 1HG ARG 54 -14.792 -9.882 10.839 459 2HG ARG 54 2HG ARG 54 -14.316 -10.995 12.096 460 1HD ARG 54 1HD ARG 54 -12.406 -9.566 11.881 461 2HD ARG 54 2HD ARG 54 -11.967 -11.039 11.050 462 HE ARG 54 HE ARG 54 -11.662 -9.783 9.157 463 1HH1 ARG 54 2HH2 ARG 54 -13.778 -7.988 11.341 464 2HH1 ARG 54 1HH2 ARG 54 -14.260 -6.787 10.204 465 1HH2 ARG 54 2HH1 ARG 54 -12.122 -8.177 7.649 466 2HH2 ARG 54 1HH1 ARG 54 -13.288 -6.907 7.955 467 H GLY 55 H GLY 55 -14.380 -14.827 8.823 468 1HA GLY 55 1HA GLY 55 -16.053 -16.441 8.542 469 2HA GLY 55 2HA GLY 55 -16.690 -16.113 10.163 470 H VAL 56 H VAL 56 -15.889 -14.378 7.137 471 HA VAL 56 HA VAL 56 -18.228 -12.571 7.281 472 HB VAL 56 HB VAL 56 -16.135 -13.215 5.165 473 1HG1 VAL 56 3HG1 VAL 56 -18.318 -11.082 5.009 474 2HG1 VAL 56 1HG1 VAL 56 -16.914 -11.155 3.948 475 3HG1 VAL 56 2HG1 VAL 56 -18.093 -12.439 3.884 476 1HG2 VAL 56 1HG2 VAL 56 -15.226 -11.837 6.994 477 2HG2 VAL 56 2HG2 VAL 56 -15.306 -11.003 5.442 478 3HG2 VAL 56 3HG2 VAL 56 -16.500 -10.614 6.681 479 H SER 57 H SER 57 -19.790 -12.837 5.336 480 HA SER 57 HA SER 57 -20.952 -15.344 4.913 481 1HB SER 57 1HB SER 57 -20.948 -12.698 3.771 482 2HB SER 57 2HB SER 57 -21.001 -13.876 2.477 483 HG SER 57 HG SER 57 -22.838 -14.812 3.417 484 HA PRO 58 HA PRO 58 -17.166 -17.167 3.315 485 1HB PRO 58 1HB PRO 58 -18.112 -19.459 2.053 486 2HB PRO 58 2HB PRO 58 -17.863 -19.261 3.806 487 1HG PRO 58 1HG PRO 58 -20.443 -18.934 2.265 488 2HG PRO 58 2HG PRO 58 -20.176 -19.808 3.801 489 1HD PRO 58 1HD PRO 58 -21.194 -17.311 3.792 490 2HD PRO 58 2HD PRO 58 -19.974 -17.760 5.024 491 H SER 59 H SER 59 -19.919 -16.868 1.086 492 HA SER 59 HA SER 59 -18.501 -16.884 -1.394 493 1HB SER 59 1HB SER 59 -20.694 -15.522 -1.956 494 2HB SER 59 2HB SER 59 -20.798 -17.238 -1.534 495 HG SER 59 HG SER 59 -22.293 -15.981 -0.317 496 H GLN 60 H GLN 60 -19.440 -14.357 0.929 497 HA GLN 60 HA GLN 60 -18.719 -12.265 -0.966 498 1HB GLN 60 1HB GLN 60 -20.838 -12.378 0.649 499 2HB GLN 60 2HB GLN 60 -19.722 -11.693 1.834 500 1HG GLN 60 1HG GLN 60 -20.861 -9.852 0.769 501 2HG GLN 60 2HG GLN 60 -19.228 -9.860 0.108 502 1HE2 GLN 60 2HE2 GLN 60 -22.413 -10.550 -2.354 503 2HE2 GLN 60 1HE2 GLN 60 -22.660 -10.420 -0.622 504 H ALA 61 H ALA 61 -16.538 -13.598 -0.386 505 HA ALA 61 HA ALA 61 -14.763 -12.229 1.476 506 1HB ALA 61 1HB ALA 61 -14.239 -14.412 0.373 507 2HB ALA 61 2HB ALA 61 -14.157 -13.572 -1.198 508 3HB ALA 61 3HB ALA 61 -13.007 -13.184 0.089 509 H GLN 62 H GLN 62 -16.387 -11.166 -1.386 510 HA GLN 62 HA GLN 62 -14.605 -8.965 -1.996 511 1HB GLN 62 1HB GLN 62 -15.972 -9.589 -3.727 512 2HB GLN 62 2HB GLN 62 -17.371 -9.806 -2.689 513 1HG GLN 62 1HG GLN 62 -16.261 -7.126 -3.503 514 2HG GLN 62 2HG GLN 62 -17.620 -7.952 -4.274 515 1HE2 GLN 62 2HE2 GLN 62 -18.643 -5.378 -1.597 516 2HE2 GLN 62 1HE2 GLN 62 -17.424 -5.303 -2.850 517 H GLY 63 H GLY 63 -16.977 -9.630 0.493 518 1HA GLY 63 1HA GLY 63 -18.118 -7.052 0.693 519 2HA GLY 63 2HA GLY 63 -18.320 -8.402 1.814 520 H LEU 64 H LEU 64 -15.501 -8.585 2.562 521 HA LEU 64 HA LEU 64 -15.742 -6.666 4.707 522 1HB LEU 64 1HB LEU 64 -13.880 -7.690 5.741 523 2HB LEU 64 2HB LEU 64 -15.102 -8.837 5.272 524 HG LEU 64 HG LEU 64 -12.441 -8.432 3.912 525 1HD1 LEU 64 3HD1 LEU 64 -13.241 -10.567 5.891 526 2HD1 LEU 64 1HD1 LEU 64 -11.764 -10.510 4.925 527 3HD1 LEU 64 2HD1 LEU 64 -12.062 -9.265 6.111 528 1HD2 LEU 64 2HD2 LEU 64 -14.518 -10.516 3.355 529 2HD2 LEU 64 3HD2 LEU 64 -13.765 -9.314 2.266 530 3HD2 LEU 64 1HD2 LEU 64 -12.805 -10.647 2.888 531 H GLY 65 H GLY 65 -15.453 -5.164 2.473 532 1HA GLY 65 1HA GLY 65 -13.482 -4.027 1.304 533 2HA GLY 65 2HA GLY 65 -14.586 -3.045 2.254 534 H SER 66 H SER 66 -13.894 -3.425 4.807 535 HA SER 66 HA SER 66 -11.750 -1.658 5.136 536 1HB SER 66 1HB SER 66 -13.711 -2.592 6.749 537 2HB SER 66 2HB SER 66 -12.376 -3.546 7.392 538 HG SER 66 HG SER 66 -11.435 -1.745 8.058 539 H ASN 67 H ASN 67 -11.681 -5.227 5.398 540 HA ASN 67 HA ASN 67 -8.702 -5.180 5.751 541 1HB ASN 67 1HB ASN 67 -10.797 -7.318 6.147 542 2HB ASN 67 2HB ASN 67 -9.099 -7.712 5.968 543 1HD2 ASN 67 2HD2 ASN 67 -10.347 -5.661 9.349 544 2HD2 ASN 67 1HD2 ASN 67 -11.323 -5.634 7.888 545 H LEU 68 H LEU 68 -11.282 -5.981 3.511 546 HA LEU 68 HA LEU 68 -10.395 -7.556 1.708 547 1HB LEU 68 1HB LEU 68 -12.391 -6.025 1.546 548 2HB LEU 68 2HB LEU 68 -11.318 -4.792 0.845 549 HG LEU 68 HG LEU 68 -10.746 -6.732 -0.865 550 1HD1 LEU 68 2HD1 LEU 68 -13.412 -7.628 0.259 551 2HD1 LEU 68 3HD1 LEU 68 -12.619 -8.273 -1.202 552 3HD1 LEU 68 1HD1 LEU 68 -11.892 -8.504 0.392 553 1HD2 LEU 68 3HD2 LEU 68 -11.835 -4.636 -1.467 554 2HD2 LEU 68 1HD2 LEU 68 -12.472 -6.027 -2.355 555 3HD2 LEU 68 2HD2 LEU 68 -13.410 -5.331 -1.008 556 H VAL 69 H VAL 69 -8.916 -7.959 0.326 557 HA VAL 69 HA VAL 69 -6.820 -6.062 -0.383 558 HB VAL 69 HB VAL 69 -6.998 -9.025 -0.985 559 1HG1 VAL 69 1HG1 VAL 69 -5.432 -7.636 -2.408 560 2HG1 VAL 69 2HG1 VAL 69 -4.658 -7.081 -0.915 561 3HG1 VAL 69 3HG1 VAL 69 -4.596 -8.798 -1.373 562 1HG2 VAL 69 1HG2 VAL 69 -5.814 -7.465 1.363 563 2HG2 VAL 69 2HG2 VAL 69 -6.954 -8.830 1.429 564 3HG2 VAL 69 3HG2 VAL 69 -5.284 -9.084 0.920 565 H THR 70 H THR 70 -6.556 -5.443 -2.519 566 HA THR 70 HA THR 70 -8.108 -6.474 -4.753 567 HB THR 70 HB THR 70 -8.548 -4.074 -5.482 568 HG1 THR 70 1HG THR 70 -8.194 -3.592 -2.701 569 1HG2 THR 70 1HG2 THR 70 -10.335 -5.561 -4.474 570 2HG2 THR 70 2HG2 THR 70 -9.942 -4.889 -2.881 571 3HG2 THR 70 3HG2 THR 70 -10.589 -3.829 -4.140 572 H GLU 71 H GLU 71 -6.791 -5.848 -6.824 573 HA GLU 71 HA GLU 71 -4.206 -6.592 -6.286 574 1HB GLU 71 1HB GLU 71 -3.758 -6.712 -8.451 575 2HB GLU 71 2HB GLU 71 -5.518 -6.785 -8.424 576 1HG GLU 71 1HG GLU 71 -5.202 -5.316 -10.101 577 2HG GLU 71 2HG GLU 71 -5.255 -4.137 -8.784 578 H VAL 72 H VAL 72 -5.336 -3.321 -6.742 579 HA VAL 72 HA VAL 72 -2.962 -1.901 -6.702 580 HB VAL 72 HB VAL 72 -5.256 -0.996 -7.005 581 1HG1 VAL 72 2HG1 VAL 72 -6.341 -2.121 -5.041 582 2HG1 VAL 72 3HG1 VAL 72 -5.472 -1.010 -3.958 583 3HG1 VAL 72 1HG1 VAL 72 -6.650 -0.378 -5.112 584 1HG2 VAL 72 1HG2 VAL 72 -3.380 0.534 -6.575 585 2HG2 VAL 72 2HG2 VAL 72 -4.900 1.177 -5.940 586 3HG2 VAL 72 3HG2 VAL 72 -3.726 0.446 -4.828 587 H ARG 73 H ARG 73 -4.487 -3.526 -3.953 588 HA ARG 73 HA ARG 73 -2.833 -2.383 -1.861 589 1HB ARG 73 1HB ARG 73 -4.187 -5.071 -1.877 590 2HB ARG 73 2HB ARG 73 -3.745 -4.117 -0.481 591 1HG ARG 73 1HG ARG 73 -5.856 -3.225 -2.529 592 2HG ARG 73 2HG ARG 73 -6.145 -4.267 -1.158 593 1HD ARG 73 1HD ARG 73 -4.979 -2.147 0.107 594 2HD ARG 73 2HD ARG 73 -5.878 -1.379 -1.209 595 HE ARG 73 HE ARG 73 -7.284 -3.523 0.274 596 1HH1 ARG 73 2HH2 ARG 73 -6.724 -0.064 0.125 597 2HH1 ARG 73 1HH2 ARG 73 -7.850 0.337 1.386 598 1HH2 ARG 73 2HH1 ARG 73 -9.026 -3.082 1.544 599 2HH2 ARG 73 1HH1 ARG 73 -9.285 -1.479 2.208 600 H VAL 74 H VAL 74 -2.873 -5.353 -3.898 601 HA VAL 74 HA VAL 74 -0.687 -6.718 -2.750 602 HB VAL 74 HB VAL 74 -1.717 -6.785 -5.613 603 1HG1 VAL 74 2HG1 VAL 74 0.170 -8.592 -4.129 604 2HG1 VAL 74 3HG1 VAL 74 -0.602 -8.980 -5.683 605 3HG1 VAL 74 1HG1 VAL 74 0.533 -7.634 -5.596 606 1HG2 VAL 74 3HG2 VAL 74 -2.239 -8.582 -3.204 607 2HG2 VAL 74 1HG2 VAL 74 -3.411 -7.456 -3.924 608 3HG2 VAL 74 2HG2 VAL 74 -2.829 -8.844 -4.852 609 H TYR 75 H TYR 75 -0.899 -4.504 -5.493 610 HA TYR 75 HA TYR 75 1.760 -4.016 -6.100 611 1HB TYR 75 1HB TYR 75 -0.618 -3.137 -6.982 612 2HB TYR 75 2HB TYR 75 -0.214 -1.766 -5.986 613 HD1 TYR 75 1HD TYR 75 2.743 -1.427 -6.493 614 HD2 TYR 75 2HD TYR 75 -0.563 -2.337 -9.115 615 HE1 TYR 75 1HE TYR 75 3.945 -0.411 -8.386 616 HE2 TYR 75 2HE TYR 75 0.485 -1.029 -10.891 617 HH TYR 75 HH TYR 75 2.397 0.003 -11.600 618 H ASN 76 H ASN 76 -0.243 -2.254 -3.615 619 HA ASN 76 HA ASN 76 1.719 -0.440 -2.741 620 1HB ASN 76 1HB ASN 76 -0.502 -1.773 -1.115 621 2HB ASN 76 2HB ASN 76 0.653 -0.677 -0.407 622 1HD2 ASN 76 2HD2 ASN 76 -1.279 1.525 -3.189 623 2HD2 ASN 76 1HD2 ASN 76 -0.324 0.153 -3.671 624 H TRP 77 H TRP 77 1.115 -3.759 -1.391 625 HA TRP 77 HA TRP 77 3.287 -3.307 0.493 626 1HB TRP 77 1HB TRP 77 2.726 -5.122 1.588 627 2HB TRP 77 2HB TRP 77 1.201 -4.888 0.733 628 HD1 TRP 77 HD TRP 77 0.836 -6.454 -1.390 629 HE1 TRP 77 1HE TRP 77 1.689 -8.805 -2.012 630 HE3 TRP 77 3HE TRP 77 4.559 -6.888 2.075 631 HZ2 TRP 77 2HZ TRP 77 3.658 -10.660 -1.047 632 HZ3 TRP 77 3HZ TRP 77 5.618 -9.090 2.433 633 HH2 TRP 77 HH TRP 77 5.280 -10.934 0.841 634 H PHE 78 H PHE 78 3.019 -5.349 -2.513 635 HA PHE 78 HA PHE 78 5.688 -6.303 -2.371 636 1HB PHE 78 1HB PHE 78 3.822 -5.894 -4.713 637 2HB PHE 78 2HB PHE 78 5.509 -6.326 -4.938 638 HD1 PHE 78 2HD PHE 78 6.506 -8.442 -4.153 639 HD2 PHE 78 1HD PHE 78 2.275 -7.680 -4.134 640 HE1 PHE 78 2HE PHE 78 6.047 -10.871 -4.262 641 HE2 PHE 78 1HE PHE 78 1.848 -10.148 -4.122 642 HZ PHE 78 HZ PHE 78 3.738 -11.731 -3.990 643 H ALA 79 H ALA 79 4.439 -3.160 -3.588 644 HA ALA 79 HA ALA 79 6.799 -2.243 -4.788 645 1HB ALA 79 3HB ALA 79 4.652 -1.032 -4.888 646 2HB ALA 79 1HB ALA 79 4.811 -0.599 -3.171 647 3HB ALA 79 2HB ALA 79 5.969 0.013 -4.360 648 H ASN 80 H ASN 80 6.069 -2.584 -1.353 649 HA ASN 80 HA ASN 80 8.606 -1.318 -0.476 650 1HB ASN 80 1HB ASN 80 6.600 -1.189 0.909 651 2HB ASN 80 2HB ASN 80 6.569 -2.951 1.085 652 1HD2 ASN 80 2HD2 ASN 80 8.413 -1.104 3.930 653 2HD2 ASN 80 1HD2 ASN 80 6.875 -0.786 3.175 654 H ARG 81 H ARG 81 7.114 -4.527 -0.697 655 HA ARG 81 HA ARG 81 9.544 -5.970 -0.082 656 1HB ARG 81 1HB ARG 81 6.735 -6.471 0.081 657 2HB ARG 81 2HB ARG 81 7.316 -7.603 -1.123 658 1HG ARG 81 1HG ARG 81 7.578 -8.731 0.886 659 2HG ARG 81 2HG ARG 81 9.198 -8.177 0.499 660 1HD ARG 81 1HD ARG 81 8.334 -6.025 1.966 661 2HD ARG 81 2HD ARG 81 7.319 -7.275 2.676 662 HE ARG 81 HE ARG 81 10.349 -7.268 2.575 663 1HH1 ARG 81 2HH2 ARG 81 7.793 -9.191 3.901 664 2HH1 ARG 81 1HH2 ARG 81 8.331 -9.016 5.565 665 1HH2 ARG 81 2HH1 ARG 81 11.274 -7.427 4.556 666 2HH2 ARG 81 1HH1 ARG 81 10.654 -8.609 5.702 667 H ARG 82 H ARG 82 10.329 -4.556 -2.005 668 HA ARG 82 HA ARG 82 11.270 -6.497 -3.917 669 1HB ARG 82 1HB ARG 82 10.698 -5.278 -5.982 670 2HB ARG 82 2HB ARG 82 9.295 -5.942 -5.150 671 1HG ARG 82 1HG ARG 82 8.375 -3.940 -5.536 672 2HG ARG 82 2HG ARG 82 9.252 -3.462 -4.081 673 1HD ARG 82 1HD ARG 82 11.151 -2.806 -5.818 674 2HD ARG 82 2HD ARG 82 9.824 -2.893 -6.983 675 HE ARG 82 HE ARG 82 9.158 -1.317 -4.615 676 1HH1 ARG 82 2HH2 ARG 82 10.689 -1.112 -7.815 677 2HH1 ARG 82 1HH2 ARG 82 10.758 0.622 -7.791 678 1HH2 ARG 82 2HH1 ARG 82 9.139 1.025 -4.691 679 2HH2 ARG 82 1HH1 ARG 82 10.128 1.810 -5.881 680 H LYS 83 H LYS 83 11.015 -3.048 -2.953 681 HA LYS 83 HA LYS 83 13.703 -2.507 -3.895 682 1HB LYS 83 1HB LYS 83 11.555 -0.884 -3.233 683 2HB LYS 83 2HB LYS 83 12.596 -0.699 -1.819 684 1HG LYS 83 1HG LYS 83 13.073 1.013 -3.513 685 2HG LYS 83 2HG LYS 83 14.469 -0.029 -3.282 686 1HD LYS 83 1HD LYS 83 12.790 -1.146 -5.401 687 2HD LYS 83 2HD LYS 83 13.053 0.572 -5.726 688 1HE LYS 83 1HE LYS 83 15.418 0.332 -5.786 689 2HE LYS 83 2HE LYS 83 15.373 -1.257 -5.043 690 1HZ LYS 83 3HZ LYS 83 14.337 -2.147 -7.027 691 2HZ LYS 83 1HZ LYS 83 14.381 -0.674 -7.781 692 3HZ LYS 83 2HZ LYS 83 15.776 -1.405 -7.375 693 H GLU 84 H GLU 84 12.244 -3.480 -0.806 694 HA GLU 84 HA GLU 84 14.552 -3.600 0.791 695 1HB GLU 84 1HB GLU 84 12.170 -4.160 1.455 696 2HB GLU 84 2HB GLU 84 12.353 -5.699 0.592 697 1HG GLU 84 1HG GLU 84 14.322 -6.225 2.095 698 2HG GLU 84 2HG GLU 84 14.000 -4.749 2.986 699 H GLU 85 H GLU 85 13.467 -5.759 -1.827 700 HA GLU 85 HA GLU 85 15.360 -7.857 -1.328 701 1HB GLU 85 1HB GLU 85 13.088 -7.900 -2.529 702 2HB GLU 85 2HB GLU 85 13.923 -7.290 -3.963 703 1HG GLU 85 1HG GLU 85 15.297 -9.281 -4.060 704 2HG GLU 85 2HG GLU 85 14.654 -9.848 -2.501 705 H ALA 86 H ALA 86 15.105 -5.477 -3.966 706 HA ALA 86 HA ALA 86 17.676 -5.810 -5.073 707 1HB ALA 86 3HB ALA 86 15.870 -3.390 -4.997 708 2HB ALA 86 1HB ALA 86 17.308 -3.527 -6.036 709 3HB ALA 86 2HB ALA 86 15.949 -4.647 -6.264 710 H PHE 87 H PHE 87 16.709 -3.958 -2.219 711 HA PHE 87 HA PHE 87 19.124 -2.451 -1.854 712 1HB PHE 87 1HB PHE 87 17.345 -1.783 -0.498 713 2HB PHE 87 2HB PHE 87 16.872 -3.408 -0.109 714 HD1 PHE 87 1HD PHE 87 19.642 -0.950 0.552 715 HD2 PHE 87 2HD PHE 87 17.381 -4.361 1.965 716 HE1 PHE 87 1HE PHE 87 20.772 -0.825 2.751 717 HE2 PHE 87 2HE PHE 87 18.628 -4.295 4.092 718 HZ PHE 87 HZ PHE 87 20.362 -2.552 4.466 719 H ARG 88 H ARG 88 18.189 -5.442 -0.019 720 HA ARG 88 HA ARG 88 20.830 -5.657 0.907 721 1HB ARG 88 1HB ARG 88 18.596 -6.550 1.847 722 2HB ARG 88 2HB ARG 88 18.876 -7.988 0.871 723 1HG ARG 88 1HG ARG 88 20.918 -6.836 2.859 724 2HG ARG 88 2HG ARG 88 19.610 -7.899 3.368 725 1HD ARG 88 1HD ARG 88 21.750 -8.708 1.343 726 2HD ARG 88 2HD ARG 88 21.716 -9.127 3.054 727 HE ARG 88 HE ARG 88 19.231 -9.905 2.156 728 1HH1 ARG 88 2HH2 ARG 88 22.572 -10.764 1.509 729 2HH1 ARG 88 1HH2 ARG 88 22.266 -12.458 1.297 730 1HH2 ARG 88 2HH1 ARG 88 18.848 -12.046 2.161 731 2HH2 ARG 88 1HH1 ARG 88 19.961 -13.242 1.536 732 H HIS 89 H HIS 89 19.261 -6.964 -1.930 733 HA HIS 89 HA HIS 89 21.023 -9.093 -2.598 734 1HB HIS 89 1HB HIS 89 18.809 -8.885 -3.590 735 2HB HIS 89 2HB HIS 89 19.220 -7.291 -4.241 736 HD1 HIS 89 1HD HIS 89 21.009 -10.731 -4.659 737 HD2 HIS 89 2HD HIS 89 19.598 -7.372 -6.772 738 HE1 HIS 89 1HE HIS 89 21.722 -11.041 -7.088 739 H LYS 90 H LYS 90 21.381 -5.565 -2.793 740 HA LYS 90 HA LYS 90 23.970 -6.065 -4.188 741 1HB LYS 90 1HB LYS 90 22.207 -4.944 -5.689 742 2HB LYS 90 2HB LYS 90 22.270 -3.578 -4.587 743 1HG LYS 90 1HG LYS 90 23.672 -3.317 -6.642 744 2HG LYS 90 2HG LYS 90 24.560 -3.108 -5.143 745 1HD LYS 90 1HD LYS 90 25.817 -4.374 -6.857 746 2HD LYS 90 2HD LYS 90 25.640 -5.239 -5.338 747 1HE LYS 90 1HE LYS 90 23.677 -6.540 -6.395 748 2HE LYS 90 2HE LYS 90 24.012 -5.693 -7.908 749 1HZ LYS 90 3HZ LYS 90 26.191 -6.762 -7.896 750 2HZ LYS 90 1HZ LYS 90 25.840 -7.515 -6.470 751 3HZ LYS 90 2HZ LYS 90 24.981 -7.873 -7.819 752 H LEU 91 H LEU 91 23.704 -6.401 -1.524 753 HA LEU 91 HA LEU 91 25.464 -4.403 -0.683 754 1HB LEU 91 1HB LEU 91 22.935 -3.612 -0.350 755 2HB LEU 91 2HB LEU 91 22.989 -4.641 1.065 756 HG LEU 91 HG LEU 91 24.886 -3.249 1.936 757 1HD1 LEU 91 3HD1 LEU 91 24.380 -1.721 -0.673 758 2HD1 LEU 91 1HD1 LEU 91 25.226 -1.020 0.720 759 3HD1 LEU 91 2HD1 LEU 91 25.934 -2.394 -0.132 760 1HD2 LEU 91 3HD2 LEU 91 22.448 -2.803 2.306 761 2HD2 LEU 91 1HD2 LEU 91 23.431 -1.318 2.379 762 3HD2 LEU 91 2HD2 LEU 91 22.461 -1.684 0.933 763 H ALA 92 H ALA 92 23.336 -6.585 1.166 764 HA ALA 92 HA ALA 92 23.850 -7.938 2.928 765 1HB ALA 92 3HB ALA 92 24.351 -9.393 0.951 766 2HB ALA 92 1HB ALA 92 26.061 -8.952 1.100 767 3HB ALA 92 2HB ALA 92 25.263 -9.833 2.413 768 H MET 93 H MET 93 25.357 -5.292 2.811 769 HA MET 93 HA MET 93 27.134 -5.905 5.074 770 1HB MET 93 1HB MET 93 28.814 -4.296 4.267 771 2HB MET 93 2HB MET 93 28.646 -5.685 3.190 772 1HG MET 93 1HG MET 93 27.239 -4.293 1.657 773 2HG MET 93 2HG MET 93 27.458 -2.911 2.733 774 1HE MET 93 1HE MET 93 29.133 -5.399 0.244 775 2HE MET 93 2HE MET 93 30.790 -4.755 0.129 776 3HE MET 93 3HE MET 93 30.264 -5.566 1.615 777 H ASP 94 H ASP 94 24.657 -5.393 5.383 778 HA ASP 94 HA ASP 94 24.641 -3.073 6.913 779 1HB ASP 94 1HB ASP 94 24.319 -1.885 4.693 780 2HB ASP 94 2HB ASP 94 22.816 -2.759 4.474 781 H THR 95 H THR 95 22.214 -4.660 4.914 782 HA THR 95 HA THR 95 20.245 -5.681 5.317 783 HB THR 95 HB THR 95 20.072 -7.410 6.976 784 HG1 THR 95 1HG THR 95 22.347 -6.237 8.147 785 1HG2 THR 95 3HG2 THR 95 22.757 -7.270 5.590 786 2HG2 THR 95 1HG2 THR 95 22.195 -8.680 6.502 787 3HG2 THR 95 2HG2 THR 95 21.276 -8.104 5.104 788 H TYR 96 H TYR 96 19.815 -5.963 8.552 789 HA TYR 96 HA TYR 96 17.971 -5.258 9.659 790 1HB TYR 96 1HB TYR 96 19.475 -2.674 9.766 791 2HB TYR 96 2HB TYR 96 18.524 -3.434 11.046 792 HD1 TYR 96 2HD TYR 96 19.379 -6.048 11.413 793 HD2 TYR 96 1HD TYR 96 21.840 -2.791 10.021 794 HE1 TYR 96 2HE TYR 96 21.399 -7.250 12.146 795 HE2 TYR 96 1HE TYR 96 23.848 -4.153 10.481 796 HH TYR 96 HH TYR 96 24.689 -6.180 11.332 797 H LYS 97 H LYS 97 17.335 -2.186 9.704 798 HA LYS 97 HA LYS 97 14.987 -2.615 8.078 799 1HB LYS 97 1HB LYS 97 13.978 -0.824 9.374 800 2HB LYS 97 2HB LYS 97 14.653 -2.109 10.379 801 1HG LYS 97 1HG LYS 97 16.736 -0.634 10.657 802 2HG LYS 97 2HG LYS 97 15.857 0.659 9.860 803 1HD LYS 97 1HD LYS 97 15.834 0.934 12.240 804 2HD LYS 97 2HD LYS 97 14.171 0.597 11.707 805 1HE LYS 97 1HE LYS 97 14.204 -1.606 12.575 806 2HE LYS 97 2HE LYS 97 15.975 -1.673 12.650 807 1HZ LYS 97 1HZ LYS 97 14.372 0.089 14.386 808 2HZ LYS 97 2HZ LYS 97 14.809 -1.464 14.749 809 3HZ LYS 97 3HZ LYS 97 15.978 -0.329 14.530 810 H LEU 98 H LEU 98 17.123 -2.344 6.501 811 HA LEU 98 HA LEU 98 18.398 -1.125 5.103 812 1HB LEU 98 1HB LEU 98 15.932 0.669 4.962 813 2HB LEU 98 2HB LEU 98 17.456 1.014 4.135 814 HG LEU 98 HG LEU 98 17.349 -1.235 3.065 815 1HD1 LEU 98 3HD1 LEU 98 14.495 -1.228 4.106 816 2HD1 LEU 98 1HD1 LEU 98 15.086 -2.270 2.797 817 3HD1 LEU 98 2HD1 LEU 98 15.747 -2.453 4.421 818 1HD2 LEU 98 2HD2 LEU 98 16.791 0.819 1.859 819 2HD2 LEU 98 3HD2 LEU 98 15.856 -0.569 1.287 820 3HD2 LEU 98 1HD2 LEU 98 15.089 0.635 2.337 821 H ASN 99 H ASN 99 19.650 -1.127 6.914 822 HA ASN 99 HA ASN 99 21.182 -0.303 8.216 823 1HB ASN 99 2HB ASN 99 21.245 1.649 6.610 824 2HB ASN 99 3HB ASN 99 20.176 2.532 7.705 825 1HD2 ASN 99 2HD2 ASN 99 24.106 1.724 8.782 826 2HD2 ASN 99 1HD2 ASN 99 23.202 0.596 7.783 No H/Q in entry = 826 Start of MODEL 18 1 1H MET 0 3H MET 0 17.118 7.995 10.353 2 2H MET 0 1H MET 0 16.155 9.186 10.912 3 3H MET 0 2H MET 0 17.813 9.416 10.694 4 HA MET 0 HA MET 0 18.405 8.121 12.473 5 1HB MET 0 2HB MET 0 15.868 9.652 13.161 6 2HB MET 0 3HB MET 0 16.825 8.831 14.406 7 1HG MET 0 2HG MET 0 18.078 10.906 12.605 8 2HG MET 0 3HG MET 0 17.335 11.251 14.169 9 1HE MET 0 3HE MET 0 20.286 12.049 13.594 10 2HE MET 0 1HE MET 0 19.510 12.288 15.183 11 3HE MET 0 2HE MET 0 21.101 11.498 15.081 12 H ALA 1 H ALA 1 15.556 7.425 14.084 13 HA ALA 1 HA ALA 1 15.701 4.604 13.207 14 1HB ALA 1 2HB ALA 1 14.362 5.960 15.581 15 2HB ALA 1 3HB ALA 1 14.392 4.210 15.275 16 3HB ALA 1 1HB ALA 1 15.901 5.079 15.614 17 H ARG 2 H ARG 2 14.023 3.616 12.150 18 HA ARG 2 HA ARG 2 11.959 5.293 10.987 19 1HB ARG 2 1HB ARG 2 11.244 3.208 9.863 20 2HB ARG 2 2HB ARG 2 12.969 3.504 9.653 21 1HG ARG 2 1HG ARG 2 13.547 1.598 10.667 22 2HG ARG 2 2HG ARG 2 12.480 1.834 12.035 23 1HD ARG 2 1HD ARG 2 11.589 0.733 9.321 24 2HD ARG 2 2HD ARG 2 12.102 -0.207 10.725 25 HE ARG 2 HE ARG 2 9.942 1.758 11.167 26 1HH1 ARG 2 2HH2 ARG 2 10.668 -1.725 10.739 27 2HH1 ARG 2 1HH2 ARG 2 9.577 -2.154 12.055 28 1HH2 ARG 2 2HH1 ARG 2 8.078 1.026 12.280 29 2HH2 ARG 2 1HH1 ARG 2 8.050 -0.664 12.784 30 H ILE 3 H ILE 3 11.369 5.774 13.443 31 HA ILE 3 HA ILE 3 9.666 3.769 14.664 32 HB ILE 3 HB ILE 3 9.132 5.449 16.307 33 1HG1 ILE 3 1HG1 ILE 3 10.810 7.438 14.710 34 2HG1 ILE 3 2HG1 ILE 3 9.041 7.413 14.672 35 1HG2 ILE 3 3HG2 ILE 3 11.268 4.160 16.398 36 2HG2 ILE 3 1HG2 ILE 3 12.092 5.513 15.602 37 3HG2 ILE 3 2HG2 ILE 3 11.377 5.726 17.206 38 1HD1 ILE 3 3HD1 ILE 3 8.986 7.653 17.143 39 2HD1 ILE 3 1HD1 ILE 3 10.751 7.873 17.136 40 3HD1 ILE 3 2HD1 ILE 3 9.712 9.029 16.293 41 H ASP 4 H ASP 4 8.958 4.739 11.894 42 HA ASP 4 HA ASP 4 6.223 5.689 11.877 43 1HB ASP 4 1HB ASP 4 7.532 5.756 9.865 44 2HB ASP 4 2HB ASP 4 7.998 4.054 10.031 45 HA PRO 5 HA PRO 5 5.449 1.689 13.913 46 1HB PRO 5 1HB PRO 5 2.974 2.155 14.941 47 2HB PRO 5 2HB PRO 5 4.461 2.918 15.559 48 1HG PRO 5 1HG PRO 5 2.379 4.196 13.815 49 2HG PRO 5 2HG PRO 5 3.307 4.888 15.157 50 1HD PRO 5 1HD PRO 5 3.918 5.115 12.404 51 2HD PRO 5 2HD PRO 5 5.009 5.462 13.764 52 H THR 6 H THR 6 5.451 1.611 11.212 53 HA THR 6 HA THR 6 4.672 0.599 9.409 54 HB THR 6 HB THR 6 2.945 -1.167 11.158 55 HG1 THR 6 1HG THR 6 5.268 -2.239 11.121 56 1HG2 THR 6 3HG2 THR 6 3.205 -1.413 8.606 57 2HG2 THR 6 1HG2 THR 6 4.894 -1.817 8.900 58 3HG2 THR 6 2HG2 THR 6 3.605 -2.850 9.567 59 H LYS 7 H LYS 7 3.383 2.973 9.811 60 HA LYS 7 HA LYS 7 0.884 2.595 8.391 61 1HB LYS 7 1HB LYS 7 -0.653 3.558 10.090 62 2HB LYS 7 2HB LYS 7 -0.035 1.968 10.475 63 1HG LYS 7 1HG LYS 7 1.787 3.326 11.838 64 2HG LYS 7 2HG LYS 7 0.561 4.582 11.847 65 1HD LYS 7 1HD LYS 7 0.135 1.655 12.697 66 2HD LYS 7 2HD LYS 7 0.548 2.919 13.828 67 1HE LYS 7 1HE LYS 7 -1.994 2.926 12.131 68 2HE LYS 7 2HE LYS 7 -1.874 2.340 13.795 69 1HZ LYS 7 1HZ LYS 7 -1.052 4.634 14.351 70 2HZ LYS 7 2HZ LYS 7 -1.555 5.087 12.833 71 3HZ LYS 7 3HZ LYS 7 -2.638 4.531 13.906 72 H LYS 8 H LYS 8 3.485 4.636 9.279 73 HA LYS 8 HA LYS 8 1.970 7.107 8.917 74 1HB LYS 8 1HB LYS 8 4.088 6.648 10.413 75 2HB LYS 8 2HB LYS 8 4.964 6.977 8.916 76 1HG LYS 8 1HG LYS 8 3.125 9.053 8.922 77 2HG LYS 8 2HG LYS 8 3.256 8.734 10.649 78 1HD LYS 8 1HD LYS 8 5.368 9.651 8.682 79 2HD LYS 8 2HD LYS 8 4.753 10.477 10.122 80 1HE LYS 8 1HE LYS 8 5.764 8.418 11.437 81 2HE LYS 8 2HE LYS 8 6.655 8.113 9.935 82 1HZ LYS 8 1HZ LYS 8 7.425 10.467 10.144 83 2HZ LYS 8 2HZ LYS 8 6.789 10.457 11.683 84 3HZ LYS 8 3HZ LYS 8 7.977 9.385 11.286 85 H GLY 9 H GLY 9 1.426 5.681 6.594 86 1HA GLY 9 1HA GLY 9 2.320 7.253 4.459 87 2HA GLY 9 2HA GLY 9 3.525 5.963 4.661 88 H ARG 10 H ARG 10 0.308 6.696 3.690 89 HA ARG 10 HA ARG 10 -1.095 5.698 2.247 90 1HB ARG 10 1HB ARG 10 1.073 3.586 1.881 91 2HB ARG 10 2HB ARG 10 -0.385 3.708 0.917 92 1HG ARG 10 1HG ARG 10 1.429 6.120 1.162 93 2HG ARG 10 2HG ARG 10 1.879 4.798 0.087 94 1HD ARG 10 1HD ARG 10 -0.805 6.206 -0.011 95 2HD ARG 10 2HD ARG 10 0.589 6.694 -0.990 96 HE ARG 10 HE ARG 10 0.547 4.197 -1.797 97 1HH1 ARG 10 2HH2 ARG 10 -2.024 6.564 -1.673 98 2HH1 ARG 10 1HH2 ARG 10 -3.146 5.676 -2.648 99 1HH2 ARG 10 2HH1 ARG 10 -0.628 3.168 -3.254 100 2HH2 ARG 10 1HH1 ARG 10 -2.252 3.665 -3.729 101 H ARG 11 H ARG 11 0.349 3.062 4.267 102 HA ARG 11 HA ARG 11 -2.011 1.582 4.263 103 1HB ARG 11 1HB ARG 11 0.461 0.921 4.873 104 2HB ARG 11 2HB ARG 11 0.001 1.396 6.511 105 1HG ARG 11 1HG ARG 11 -0.486 -0.885 6.477 106 2HG ARG 11 2HG ARG 11 -2.050 -0.187 6.117 107 1HD ARG 11 1HD ARG 11 -1.988 -1.685 4.409 108 2HD ARG 11 2HD ARG 11 -1.112 -0.416 3.556 109 HE ARG 11 HE ARG 11 0.050 -2.754 5.077 110 1HH1 ARG 11 2HH2 ARG 11 0.630 -0.823 2.039 111 2HH1 ARG 11 1HH2 ARG 11 2.353 -0.964 2.291 112 1HH2 ARG 11 2HH1 ARG 11 2.366 -2.948 5.061 113 2HH2 ARG 11 1HH1 ARG 11 3.242 -2.271 3.705 114 H ASN 12 H ASN 12 -3.562 1.321 5.931 115 HA ASN 12 HA ASN 12 -3.647 2.386 8.422 116 1HB ASN 12 1HB ASN 12 -3.915 4.666 6.648 117 2HB ASN 12 2HB ASN 12 -5.487 4.368 7.325 118 1HD2 ASN 12 2HD2 ASN 12 -2.470 5.259 9.975 119 2HD2 ASN 12 1HD2 ASN 12 -2.074 4.478 8.429 120 H ARG 13 H ARG 13 -5.900 2.665 5.677 121 HA ARG 13 HA ARG 13 -8.202 2.091 7.346 122 1HB ARG 13 1HB ARG 13 -9.480 2.115 5.287 123 2HB ARG 13 2HB ARG 13 -8.356 3.484 5.332 124 1HG ARG 13 1HG ARG 13 -6.816 2.093 3.840 125 2HG ARG 13 2HG ARG 13 -8.132 0.927 3.664 126 1HD ARG 13 1HD ARG 13 -8.659 3.836 3.052 127 2HD ARG 13 2HD ARG 13 -7.761 2.838 1.925 128 HE ARG 13 HE ARG 13 -10.540 2.247 2.944 129 1HH1 ARG 13 2HH2 ARG 13 -8.429 2.553 0.120 130 2HH1 ARG 13 1HH2 ARG 13 -9.374 1.493 -0.881 131 1HH2 ARG 13 2HH1 ARG 13 -11.832 0.886 1.582 132 2HH2 ARG 13 1HH1 ARG 13 -11.223 0.412 0.012 133 H PHE 14 H PHE 14 -6.249 0.377 5.162 134 HA PHE 14 HA PHE 14 -7.295 -2.339 5.728 135 1HB PHE 14 1HB PHE 14 -7.726 -1.710 3.456 136 2HB PHE 14 2HB PHE 14 -6.207 -0.853 3.289 137 HD1 PHE 14 1HD PHE 14 -4.044 -1.999 3.069 138 HD2 PHE 14 2HD PHE 14 -7.751 -4.197 3.270 139 HE1 PHE 14 1HE PHE 14 -2.855 -4.082 2.460 140 HE2 PHE 14 2HE PHE 14 -6.543 -6.266 2.699 141 HZ PHE 14 HZ PHE 14 -4.092 -6.182 2.254 142 H LYS 15 H LYS 15 -5.623 -3.646 6.549 143 HA LYS 15 HA LYS 15 -2.846 -3.071 6.118 144 1HB LYS 15 1HB LYS 15 -2.313 -3.013 8.570 145 2HB LYS 15 2HB LYS 15 -3.111 -1.569 7.968 146 1HG LYS 15 1HG LYS 15 -4.842 -1.758 9.342 147 2HG LYS 15 2HG LYS 15 -5.163 -3.426 8.912 148 1HD LYS 15 1HD LYS 15 -3.090 -2.542 10.963 149 2HD LYS 15 2HD LYS 15 -4.713 -3.176 11.297 150 1HE LYS 15 1HE LYS 15 -4.054 -5.281 9.978 151 2HE LYS 15 2HE LYS 15 -2.391 -4.696 10.001 152 1HZ LYS 15 3HZ LYS 15 -2.602 -4.728 12.501 153 2HZ LYS 15 1HZ LYS 15 -4.076 -5.415 12.290 154 3HZ LYS 15 2HZ LYS 15 -2.712 -6.173 11.750 155 H TRP 16 H TRP 16 -1.713 -5.019 6.319 156 HA TRP 16 HA TRP 16 -3.426 -7.267 5.879 157 1HB TRP 16 1HB TRP 16 -0.420 -7.213 6.250 158 2HB TRP 16 2HB TRP 16 -1.372 -8.506 5.526 159 HD1 TRP 16 HD TRP 16 0.262 -5.244 4.699 160 HE1 TRP 16 1HE TRP 16 0.203 -4.835 2.199 161 HE3 TRP 16 3HE TRP 16 -3.078 -8.866 3.412 162 HZ2 TRP 16 2HZ TRP 16 -1.039 -6.016 -0.107 163 HZ3 TRP 16 3HZ TRP 16 -3.536 -9.320 1.020 164 HH2 TRP 16 HH TRP 16 -2.612 -7.850 -0.736 165 H GLY 17 H GLY 17 -4.170 -8.770 7.247 166 1HA GLY 17 1HA GLY 17 -3.446 -8.830 10.080 167 2HA GLY 17 2HA GLY 17 -4.686 -9.750 9.230 168 HA PRO 18 HA PRO 18 -0.891 -12.245 10.427 169 1HB PRO 18 1HB PRO 18 -2.074 -14.283 11.845 170 2HB PRO 18 2HB PRO 18 -1.714 -12.703 12.570 171 1HG PRO 18 1HG PRO 18 -4.349 -13.635 11.455 172 2HG PRO 18 2HG PRO 18 -4.007 -12.793 12.999 173 1HD PRO 18 1HD PRO 18 -4.871 -11.455 10.796 174 2HD PRO 18 2HD PRO 18 -3.679 -10.736 11.922 175 H ALA 19 H ALA 19 -3.906 -13.332 9.064 176 HA ALA 19 HA ALA 19 -2.777 -15.964 8.232 177 1HB ALA 19 2HB ALA 19 -5.585 -14.813 7.963 178 2HB ALA 19 3HB ALA 19 -5.059 -16.414 7.417 179 3HB ALA 19 1HB ALA 19 -5.029 -16.027 9.146 180 H SER 20 H SER 20 -3.897 -12.830 7.017 181 HA SER 20 HA SER 20 -3.544 -13.214 4.258 182 1HB SER 20 1HB SER 20 -2.763 -10.759 5.859 183 2HB SER 20 2HB SER 20 -3.280 -10.869 4.157 184 HG SER 20 HG SER 20 -5.349 -11.481 4.871 185 H GLN 21 H GLN 21 -1.095 -12.981 6.878 186 HA GLN 21 HA GLN 21 1.131 -12.529 5.131 187 1HB GLN 21 1HB GLN 21 1.256 -14.233 7.640 188 2HB GLN 21 2HB GLN 21 2.586 -13.455 6.782 189 1HG GLN 21 1HG GLN 21 0.382 -12.199 8.308 190 2HG GLN 21 2HG GLN 21 2.097 -12.106 8.707 191 1HE2 GLN 21 2HE2 GLN 21 0.574 -9.176 6.438 192 2HE2 GLN 21 1HE2 GLN 21 -0.352 -10.233 7.500 193 H GLN 22 H GLN 22 -0.764 -15.458 5.843 194 HA GLN 22 HA GLN 22 1.215 -17.310 4.856 195 1HB GLN 22 1HB GLN 22 -0.600 -17.948 6.350 196 2HB GLN 22 2HB GLN 22 -1.823 -17.468 5.179 197 1HG GLN 22 1HG GLN 22 0.063 -19.627 4.371 198 2HG GLN 22 2HG GLN 22 -1.176 -19.969 5.596 199 1HE2 GLN 22 2HE2 GLN 22 -4.007 -19.532 3.425 200 2HE2 GLN 22 1HE2 GLN 22 -3.493 -19.384 5.092 201 H ILE 23 H ILE 23 -1.551 -15.711 3.351 202 HA ILE 23 HA ILE 23 -1.081 -16.645 0.722 203 HB ILE 23 HB ILE 23 -2.426 -14.155 1.877 204 1HG1 ILE 23 1HG1 ILE 23 -4.436 -15.360 1.019 205 2HG1 ILE 23 2HG1 ILE 23 -3.422 -16.779 0.671 206 1HG2 ILE 23 3HG2 ILE 23 -2.264 -15.013 -1.014 207 2HG2 ILE 23 1HG2 ILE 23 -3.454 -13.851 -0.380 208 3HG2 ILE 23 2HG2 ILE 23 -1.746 -13.459 -0.297 209 1HD1 ILE 23 2HD1 ILE 23 -3.811 -15.476 3.386 210 2HD1 ILE 23 3HD1 ILE 23 -4.742 -16.852 2.752 211 3HD1 ILE 23 1HD1 ILE 23 -3.028 -17.051 3.037 212 H LEU 24 H LEU 24 -0.124 -13.523 2.189 213 HA LEU 24 HA LEU 24 1.396 -12.547 -0.033 214 1HB LEU 24 1HB LEU 24 1.602 -12.188 3.019 215 2HB LEU 24 2HB LEU 24 2.613 -11.309 1.905 216 HG LEU 24 HG LEU 24 -0.426 -11.090 2.155 217 1HD1 LEU 24 3HD1 LEU 24 1.919 -9.191 2.577 218 2HD1 LEU 24 1HD1 LEU 24 0.240 -8.689 2.511 219 3HD1 LEU 24 2HD1 LEU 24 0.767 -9.784 3.800 220 1HD2 LEU 24 2HD2 LEU 24 1.453 -10.354 -0.038 221 2HD2 LEU 24 3HD2 LEU 24 -0.217 -10.878 -0.124 222 3HD2 LEU 24 1HD2 LEU 24 0.145 -9.207 0.347 223 H PHE 25 H PHE 25 2.401 -14.611 2.651 224 HA PHE 25 HA PHE 25 5.141 -14.479 1.892 225 1HB PHE 25 1HB PHE 25 5.701 -15.985 3.565 226 2HB PHE 25 2HB PHE 25 4.376 -14.954 4.069 227 HD1 PHE 25 1HD PHE 25 4.550 -18.408 2.690 228 HD2 PHE 25 2HD PHE 25 3.511 -15.806 5.960 229 HE1 PHE 25 1HE PHE 25 3.804 -20.346 3.993 230 HE2 PHE 25 2HE PHE 25 2.803 -17.766 7.293 231 HZ PHE 25 HZ PHE 25 2.934 -20.050 6.303 232 H GLN 26 H GLN 26 2.471 -16.727 1.279 233 HA GLN 26 HA GLN 26 4.065 -18.545 0.450 234 1HB GLN 26 1HB GLN 26 2.209 -19.825 -0.385 235 2HB GLN 26 2HB GLN 26 1.403 -18.613 0.595 236 1HG GLN 26 1HG GLN 26 0.996 -17.279 -1.500 237 2HG GLN 26 2HG GLN 26 1.818 -18.560 -2.410 238 1HE2 GLN 26 2HE2 GLN 26 -1.376 -19.612 -3.311 239 2HE2 GLN 26 1HE2 GLN 26 0.114 -18.819 -3.758 240 H ALA 27 H ALA 27 2.645 -15.923 -1.396 241 HA ALA 27 HA ALA 27 3.687 -16.516 -4.005 242 1HB ALA 27 2HB ALA 27 1.698 -15.093 -3.637 243 2HB ALA 27 3HB ALA 27 2.743 -13.888 -2.818 244 3HB ALA 27 1HB ALA 27 2.968 -14.233 -4.538 245 H TYR 28 H TYR 28 4.651 -14.140 -1.395 246 HA TYR 28 HA TYR 28 6.739 -13.040 -2.938 247 1HB TYR 28 1HB TYR 28 5.670 -12.072 -0.852 248 2HB TYR 28 2HB TYR 28 6.631 -13.185 0.097 249 HD1 TYR 28 2HD TYR 28 7.034 -10.713 -2.727 250 HD2 TYR 28 1HD TYR 28 8.753 -12.374 0.865 251 HE1 TYR 28 2HE TYR 28 8.918 -9.159 -2.921 252 HE2 TYR 28 1HE TYR 28 10.673 -10.845 0.642 253 HH TYR 28 HH TYR 28 11.043 -8.656 -2.107 254 H GLU 29 H GLU 29 6.613 -16.025 -1.117 255 HA GLU 29 HA GLU 29 9.396 -16.523 -0.920 256 1HB GLU 29 1HB GLU 29 7.376 -17.753 0.112 257 2HB GLU 29 2HB GLU 29 7.235 -18.639 -1.394 258 1HG GLU 29 1HG GLU 29 8.934 -20.007 -0.774 259 2HG GLU 29 2HG GLU 29 9.982 -18.665 -0.319 260 H ARG 30 H ARG 30 7.007 -17.548 -3.333 261 HA ARG 30 HA ARG 30 8.997 -18.643 -5.118 262 1HB ARG 30 1HB ARG 30 7.049 -19.347 -6.477 263 2HB ARG 30 2HB ARG 30 6.988 -19.823 -4.778 264 1HG ARG 30 1HG ARG 30 5.538 -17.670 -4.469 265 2HG ARG 30 2HG ARG 30 5.300 -17.738 -6.195 266 1HD ARG 30 1HD ARG 30 4.720 -19.968 -4.154 267 2HD ARG 30 2HD ARG 30 3.530 -18.780 -4.627 268 HE ARG 30 HE ARG 30 4.151 -21.153 -6.017 269 1HH1 ARG 30 2HH2 ARG 30 3.139 -17.752 -6.492 270 2HH1 ARG 30 1HH2 ARG 30 2.583 -18.005 -8.081 271 1HH2 ARG 30 2HH1 ARG 30 3.094 -21.487 -8.196 272 2HH2 ARG 30 1HH1 ARG 30 2.481 -20.036 -8.979 273 H GLN 31 H GLN 31 6.644 -15.945 -5.551 274 HA GLN 31 HA GLN 31 8.142 -15.038 -7.967 275 1HB GLN 31 1HB GLN 31 5.313 -14.517 -7.050 276 2HB GLN 31 2HB GLN 31 6.093 -13.738 -8.438 277 1HG GLN 31 1HG GLN 31 6.548 -16.533 -8.777 278 2HG GLN 31 2HG GLN 31 4.880 -16.400 -8.252 279 1HE2 GLN 31 2HE2 GLN 31 3.770 -15.206 -11.425 280 2HE2 GLN 31 1HE2 GLN 31 3.348 -15.599 -9.761 281 H LYS 32 H LYS 32 9.463 -13.367 -7.684 282 HA LYS 32 HA LYS 32 9.537 -12.003 -5.071 283 1HB LYS 32 1HB LYS 32 11.187 -11.607 -7.620 284 2HB LYS 32 2HB LYS 32 11.624 -10.989 -6.034 285 1HG LYS 32 1HG LYS 32 11.521 -13.967 -6.767 286 2HG LYS 32 2HG LYS 32 12.942 -12.921 -6.836 287 1HD LYS 32 1HD LYS 32 13.327 -13.794 -4.782 288 2HD LYS 32 2HD LYS 32 12.353 -12.394 -4.321 289 1HE LYS 32 1HE LYS 32 10.314 -13.983 -4.396 290 2HE LYS 32 2HE LYS 32 11.451 -15.309 -4.640 291 1HZ LYS 32 3HZ LYS 32 11.556 -13.476 -2.331 292 2HZ LYS 32 1HZ LYS 32 10.717 -14.886 -2.331 293 3HZ LYS 32 2HZ LYS 32 12.372 -14.877 -2.479 294 H ASN 33 H ASN 33 7.879 -11.406 -7.992 295 HA ASN 33 HA ASN 33 7.711 -8.519 -7.529 296 1HB ASN 33 1HB ASN 33 8.489 -8.052 -9.639 297 2HB ASN 33 2HB ASN 33 9.542 -9.403 -9.277 298 1HD2 ASN 33 2HD2 ASN 33 7.566 -11.668 -11.398 299 2HD2 ASN 33 1HD2 ASN 33 8.639 -11.648 -10.026 300 HA PRO 34 HA PRO 34 3.528 -9.473 -8.444 301 1HB PRO 34 1HB PRO 34 2.437 -7.100 -9.190 302 2HB PRO 34 2HB PRO 34 3.257 -7.290 -7.636 303 1HG PRO 34 1HG PRO 34 4.427 -6.195 -10.211 304 2HG PRO 34 2HG PRO 34 4.451 -5.427 -8.598 305 1HD PRO 34 1HD PRO 34 6.533 -6.925 -9.568 306 2HD PRO 34 2HD PRO 34 6.113 -6.909 -7.830 307 H SER 35 H SER 35 4.603 -10.905 -10.267 308 HA SER 35 HA SER 35 5.015 -10.165 -12.795 309 1HB SER 35 1HB SER 35 3.896 -12.900 -12.012 310 2HB SER 35 2HB SER 35 4.993 -12.515 -13.340 311 HG SER 35 HG SER 35 6.067 -13.316 -11.453 312 H LYS 36 H LYS 36 2.019 -11.994 -12.083 313 HA LYS 36 HA LYS 36 0.307 -10.246 -13.536 314 1HB LYS 36 1HB LYS 36 -0.258 -12.229 -15.225 315 2HB LYS 36 2HB LYS 36 0.876 -10.941 -15.580 316 1HG LYS 36 1HG LYS 36 2.792 -12.282 -15.223 317 2HG LYS 36 2HG LYS 36 1.854 -13.635 -14.593 318 1HD LYS 36 1HD LYS 36 1.221 -12.506 -17.342 319 2HD LYS 36 2HD LYS 36 2.671 -13.468 -17.171 320 1HE LYS 36 1HE LYS 36 -0.022 -14.507 -16.154 321 2HE LYS 36 2HE LYS 36 0.443 -14.665 -17.851 322 1HZ LYS 36 1HZ LYS 36 2.239 -15.653 -15.747 323 2HZ LYS 36 2HZ LYS 36 1.014 -16.566 -16.302 324 3HZ LYS 36 3HZ LYS 36 2.199 -16.026 -17.337 325 H GLU 37 H GLU 37 -0.175 -13.612 -13.735 326 HA GLU 37 HA GLU 37 -2.502 -14.108 -12.575 327 1HB GLU 37 1HB GLU 37 0.172 -15.404 -13.168 328 2HB GLU 37 2HB GLU 37 -0.610 -16.113 -11.811 329 1HG GLU 37 1HG GLU 37 -2.509 -16.825 -13.069 330 2HG GLU 37 2HG GLU 37 -2.041 -15.815 -14.458 331 H GLU 38 H GLU 38 0.639 -13.997 -10.928 332 HA GLU 38 HA GLU 38 -0.063 -14.769 -8.428 333 1HB GLU 38 1HB GLU 38 2.249 -13.908 -9.601 334 2HB GLU 38 2HB GLU 38 1.856 -12.390 -8.824 335 1HG GLU 38 1HG GLU 38 3.319 -13.573 -7.363 336 2HG GLU 38 2HG GLU 38 1.717 -13.639 -6.622 337 H ARG 39 H ARG 39 -0.375 -11.413 -9.664 338 HA ARG 39 HA ARG 39 -0.960 -10.222 -7.077 339 1HB ARG 39 1HB ARG 39 -1.331 -9.513 -9.962 340 2HB ARG 39 2HB ARG 39 -2.419 -8.720 -8.819 341 1HG ARG 39 1HG ARG 39 -0.621 -7.792 -7.543 342 2HG ARG 39 2HG ARG 39 0.599 -8.682 -8.483 343 1HD ARG 39 1HD ARG 39 -1.394 -6.751 -9.780 344 2HD ARG 39 2HD ARG 39 0.168 -6.223 -9.152 345 HE ARG 39 HE ARG 39 1.332 -7.591 -10.728 346 1HH1 ARG 39 2HH2 ARG 39 -2.160 -8.176 -11.372 347 2HH1 ARG 39 1HH2 ARG 39 -1.868 -8.409 -13.012 348 1HH2 ARG 39 2HH1 ARG 39 1.644 -7.939 -12.788 349 2HH2 ARG 39 1HH1 ARG 39 0.380 -8.025 -13.964 350 H GLU 40 H GLU 40 -2.810 -11.519 -9.741 351 HA GLU 40 HA GLU 40 -5.281 -10.660 -8.815 352 1HB GLU 40 1HB GLU 40 -4.095 -12.145 -11.004 353 2HB GLU 40 2HB GLU 40 -5.673 -12.794 -10.582 354 1HG GLU 40 1HG GLU 40 -6.245 -11.185 -12.127 355 2HG GLU 40 2HG GLU 40 -6.471 -10.268 -10.639 356 H THR 41 H THR 41 -3.723 -13.905 -8.817 357 HA THR 41 HA THR 41 -5.389 -15.402 -7.177 358 HB THR 41 HB THR 41 -2.779 -15.734 -8.296 359 HG1 THR 41 1HG THR 41 -4.186 -17.461 -6.512 360 1HG2 THR 41 1HG2 THR 41 -2.522 -16.226 -5.322 361 2HG2 THR 41 2HG2 THR 41 -1.538 -16.943 -6.603 362 3HG2 THR 41 3HG2 THR 41 -1.504 -15.207 -6.353 363 H LEU 42 H LEU 42 -2.620 -13.331 -6.143 364 HA LEU 42 HA LEU 42 -2.833 -13.774 -3.428 365 1HB LEU 42 1HB LEU 42 -1.814 -11.508 -5.155 366 2HB LEU 42 2HB LEU 42 -1.905 -11.250 -3.450 367 HG LEU 42 HG LEU 42 -0.413 -13.623 -4.648 368 1HD1 LEU 42 3HD1 LEU 42 0.522 -11.485 -5.454 369 2HD1 LEU 42 1HD1 LEU 42 0.680 -10.916 -3.770 370 3HD1 LEU 42 2HD1 LEU 42 1.631 -12.295 -4.343 371 1HD2 LEU 42 2HD2 LEU 42 -0.622 -12.340 -1.902 372 2HD2 LEU 42 3HD2 LEU 42 -0.846 -14.051 -2.375 373 3HD2 LEU 42 1HD2 LEU 42 0.755 -13.338 -2.325 374 H VAL 43 H VAL 43 -4.732 -11.486 -5.441 375 HA VAL 43 HA VAL 43 -5.994 -10.304 -3.155 376 HB VAL 43 HB VAL 43 -7.120 -10.536 -5.984 377 1HG1 VAL 43 1HG1 VAL 43 -7.798 -8.910 -3.452 378 2HG1 VAL 43 2HG1 VAL 43 -8.562 -8.651 -5.034 379 3HG1 VAL 43 3HG1 VAL 43 -8.837 -10.157 -4.147 380 1HG2 VAL 43 2HG2 VAL 43 -5.682 -8.258 -4.566 381 2HG2 VAL 43 3HG2 VAL 43 -5.033 -9.209 -5.909 382 3HG2 VAL 43 1HG2 VAL 43 -6.456 -8.211 -6.175 383 H GLU 44 H GLU 44 -7.200 -12.944 -5.337 384 HA GLU 44 HA GLU 44 -9.568 -13.549 -3.932 385 1HB GLU 44 1HB GLU 44 -9.373 -14.629 -5.969 386 2HB GLU 44 2HB GLU 44 -7.673 -15.060 -5.687 387 1HG GLU 44 1HG GLU 44 -9.245 -16.983 -5.825 388 2HG GLU 44 2HG GLU 44 -8.193 -16.950 -4.418 389 H GLU 45 H GLU 45 -6.485 -15.262 -3.699 390 HA GLU 45 HA GLU 45 -6.867 -16.988 -1.664 391 1HB GLU 45 1HB GLU 45 -4.621 -15.657 -2.893 392 2HB GLU 45 2HB GLU 45 -4.325 -15.877 -1.193 393 1HG GLU 45 1HG GLU 45 -3.393 -17.741 -2.227 394 2HG GLU 45 2HG GLU 45 -4.888 -18.326 -1.495 395 H CYS 46 H CYS 46 -5.996 -13.550 -1.366 396 HA CYS 46 HA CYS 46 -5.770 -13.574 1.535 397 1HB CYS 46 1HB CYS 46 -4.754 -11.756 -0.028 398 2HB CYS 46 2HB CYS 46 -6.345 -11.153 -0.244 399 HG CYS 46 HG CYS 46 -6.920 -10.992 2.406 400 H ASN 47 H ASN 47 -8.233 -12.435 -0.771 401 HA ASN 47 HA ASN 47 -10.043 -11.111 1.026 402 1HB ASN 47 1HB ASN 47 -9.944 -10.854 -1.498 403 2HB ASN 47 2HB ASN 47 -10.506 -12.518 -1.673 404 1HD2 ASN 47 2HD2 ASN 47 -13.147 -9.631 -0.474 405 2HD2 ASN 47 1HD2 ASN 47 -11.416 -9.256 -0.551 406 H ARG 48 H ARG 48 -10.060 -14.346 -0.428 407 HA ARG 48 HA ARG 48 -12.149 -15.585 0.929 408 1HB ARG 48 1HB ARG 48 -10.661 -16.395 -0.994 409 2HB ARG 48 2HB ARG 48 -9.406 -16.718 0.188 410 1HG ARG 48 1HG ARG 48 -10.367 -18.734 -0.180 411 2HG ARG 48 2HG ARG 48 -11.052 -18.264 1.381 412 1HD ARG 48 1HD ARG 48 -13.186 -17.695 0.366 413 2HD ARG 48 2HD ARG 48 -12.503 -17.698 -1.262 414 HE ARG 48 HE ARG 48 -13.210 -20.060 0.387 415 1HH1 ARG 48 2HH2 ARG 48 -11.404 -18.909 -2.531 416 2HH1 ARG 48 1HH2 ARG 48 -10.965 -20.517 -2.936 417 1HH2 ARG 48 2HH1 ARG 48 -12.707 -22.054 -0.263 418 2HH2 ARG 48 1HH1 ARG 48 -11.656 -22.315 -1.676 419 H ALA 49 H ALA 49 -8.650 -15.437 1.810 420 HA ALA 49 HA ALA 49 -8.911 -16.652 4.342 421 1HB ALA 49 3HB ALA 49 -6.807 -16.354 3.162 422 2HB ALA 49 1HB ALA 49 -6.818 -14.613 3.523 423 3HB ALA 49 2HB ALA 49 -6.714 -15.789 4.842 424 H GLU 50 H GLU 50 -9.817 -13.330 3.416 425 HA GLU 50 HA GLU 50 -9.486 -12.300 6.125 426 1HB GLU 50 1HB GLU 50 -9.129 -11.105 3.808 427 2HB GLU 50 2HB GLU 50 -10.882 -10.972 3.804 428 1HG GLU 50 1HG GLU 50 -9.987 -8.982 4.624 429 2HG GLU 50 2HG GLU 50 -10.652 -9.802 6.072 430 H CYS 51 H CYS 51 -11.919 -13.335 3.767 431 HA CYS 51 HA CYS 51 -14.206 -13.003 5.225 432 1HB CYS 51 1HB CYS 51 -14.945 -13.613 3.253 433 2HB CYS 51 2HB CYS 51 -13.467 -14.492 2.973 434 HG CYS 51 HG CYS 51 -16.180 -15.411 4.624 435 H ILE 52 H ILE 52 -11.948 -15.746 5.164 436 HA ILE 52 HA ILE 52 -13.353 -17.469 6.952 437 HB ILE 52 HB ILE 52 -10.482 -17.224 5.998 438 1HG1 ILE 52 1HG1 ILE 52 -12.579 -19.379 5.491 439 2HG1 ILE 52 2HG1 ILE 52 -12.398 -17.958 4.464 440 1HG2 ILE 52 3HG2 ILE 52 -10.343 -18.244 8.247 441 2HG2 ILE 52 1HG2 ILE 52 -11.552 -19.450 7.766 442 3HG2 ILE 52 2HG2 ILE 52 -9.962 -19.389 6.979 443 1HD1 ILE 52 2HD1 ILE 52 -10.005 -18.606 4.031 444 2HD1 ILE 52 3HD1 ILE 52 -10.316 -20.135 4.883 445 3HD1 ILE 52 1HD1 ILE 52 -11.210 -19.732 3.405 446 H GLN 53 H GLN 53 -10.839 -15.047 7.384 447 HA GLN 53 HA GLN 53 -10.030 -15.347 9.956 448 1HB GLN 53 1HB GLN 53 -9.879 -13.348 8.099 449 2HB GLN 53 2HB GLN 53 -10.787 -12.503 9.331 450 1HG GLN 53 1HG GLN 53 -9.021 -12.884 10.987 451 2HG GLN 53 2HG GLN 53 -8.164 -13.982 9.891 452 1HE2 GLN 53 2HE2 GLN 53 -7.507 -11.256 7.443 453 2HE2 GLN 53 1HE2 GLN 53 -8.033 -12.899 7.542 454 H ARG 54 H ARG 54 -13.129 -13.888 9.019 455 HA ARG 54 HA ARG 54 -13.925 -13.683 11.907 456 1HB ARG 54 1HB ARG 54 -15.435 -11.949 11.236 457 2HB ARG 54 2HB ARG 54 -13.788 -11.577 10.739 458 1HG ARG 54 1HG ARG 54 -15.184 -12.974 8.586 459 2HG ARG 54 2HG ARG 54 -16.091 -11.562 9.137 460 1HD ARG 54 1HD ARG 54 -13.088 -11.410 8.604 461 2HD ARG 54 2HD ARG 54 -14.211 -11.363 7.273 462 HE ARG 54 HE ARG 54 -15.204 -9.364 8.027 463 1HH1 ARG 54 2HH2 ARG 54 -12.027 -9.922 9.438 464 2HH1 ARG 54 1HH2 ARG 54 -12.104 -8.454 10.378 465 1HH2 ARG 54 2HH1 ARG 54 -15.399 -7.672 9.646 466 2HH2 ARG 54 1HH1 ARG 54 -13.881 -7.147 10.386 467 H GLY 55 H GLY 55 -14.670 -15.298 8.886 468 1HA GLY 55 1HA GLY 55 -16.369 -16.820 8.435 469 2HA GLY 55 2HA GLY 55 -17.123 -16.495 9.999 470 H VAL 56 H VAL 56 -16.107 -14.471 7.257 471 HA VAL 56 HA VAL 56 -18.693 -13.074 6.987 472 HB VAL 56 HB VAL 56 -16.179 -13.461 5.421 473 1HG1 VAL 56 2HG1 VAL 56 -18.645 -12.402 4.081 474 2HG1 VAL 56 3HG1 VAL 56 -17.005 -11.988 3.568 475 3HG1 VAL 56 1HG1 VAL 56 -17.485 -13.669 3.555 476 1HG2 VAL 56 2HG2 VAL 56 -16.758 -11.415 7.074 477 2HG2 VAL 56 3HG2 VAL 56 -15.713 -11.265 5.664 478 3HG2 VAL 56 1HG2 VAL 56 -17.396 -10.741 5.559 479 H SER 57 H SER 57 -20.314 -13.666 5.560 480 HA SER 57 HA SER 57 -20.881 -16.323 4.778 481 1HB SER 57 1HB SER 57 -21.918 -13.648 4.464 482 2HB SER 57 2HB SER 57 -22.071 -14.518 2.943 483 HG SER 57 HG SER 57 -23.021 -15.472 5.448 484 HA PRO 58 HA PRO 58 -17.357 -16.285 2.016 485 1HB PRO 58 1HB PRO 58 -17.885 -18.472 0.352 486 2HB PRO 58 2HB PRO 58 -17.183 -18.544 1.989 487 1HG PRO 58 1HG PRO 58 -20.075 -18.911 1.193 488 2HG PRO 58 2HG PRO 58 -19.113 -19.897 2.332 489 1HD PRO 58 1HD PRO 58 -20.815 -18.003 3.228 490 2HD PRO 58 2HD PRO 58 -19.215 -18.186 4.010 491 H SER 59 H SER 59 -20.573 -16.487 0.499 492 HA SER 59 HA SER 59 -19.919 -15.659 -2.129 493 1HB SER 59 1HB SER 59 -22.375 -14.720 -1.841 494 2HB SER 59 2HB SER 59 -22.073 -16.466 -1.816 495 HG SER 59 HG SER 59 -23.367 -15.835 -0.025 496 H GLN 60 H GLN 60 -20.312 -13.879 0.897 497 HA GLN 60 HA GLN 60 -20.031 -11.280 -0.485 498 1HB GLN 60 1HB GLN 60 -21.845 -11.875 1.353 499 2HB GLN 60 2HB GLN 60 -20.497 -11.702 2.481 500 1HG GLN 60 1HG GLN 60 -20.166 -9.358 1.288 501 2HG GLN 60 2HG GLN 60 -21.799 -9.619 0.690 502 1HE2 GLN 60 2HE2 GLN 60 -23.265 -9.380 4.013 503 2HE2 GLN 60 1HE2 GLN 60 -23.453 -10.235 2.494 504 H ALA 61 H ALA 61 -17.765 -13.202 -0.277 505 HA ALA 61 HA ALA 61 -15.928 -11.905 1.559 506 1HB ALA 61 1HB ALA 61 -15.536 -14.200 0.728 507 2HB ALA 61 2HB ALA 61 -15.096 -13.494 -0.853 508 3HB ALA 61 3HB ALA 61 -14.171 -13.097 0.617 509 H GLN 62 H GLN 62 -17.133 -11.230 -1.627 510 HA GLN 62 HA GLN 62 -15.353 -8.970 -2.069 511 1HB GLN 62 1HB GLN 62 -17.648 -10.187 -3.447 512 2HB GLN 62 2HB GLN 62 -17.725 -8.438 -3.506 513 1HG GLN 62 1HG GLN 62 -15.306 -10.115 -4.311 514 2HG GLN 62 2HG GLN 62 -16.499 -9.437 -5.420 515 1HE2 GLN 62 2HE2 GLN 62 -14.998 -6.079 -4.009 516 2HE2 GLN 62 1HE2 GLN 62 -16.331 -6.928 -3.256 517 H GLY 63 H GLY 63 -17.363 -9.360 0.528 518 1HA GLY 63 1HA GLY 63 -18.325 -6.571 0.650 519 2HA GLY 63 2HA GLY 63 -18.498 -7.843 1.869 520 H LEU 64 H LEU 64 -16.958 -8.048 3.386 521 HA LEU 64 HA LEU 64 -15.329 -7.501 4.849 522 1HB LEU 64 1HB LEU 64 -13.881 -7.760 2.235 523 2HB LEU 64 2HB LEU 64 -12.986 -7.230 3.651 524 HG LEU 64 HG LEU 64 -12.906 -9.720 3.241 525 1HD1 LEU 64 3HD1 LEU 64 -12.432 -8.724 5.411 526 2HD1 LEU 64 1HD1 LEU 64 -14.106 -9.094 5.897 527 3HD1 LEU 64 2HD1 LEU 64 -12.994 -10.403 5.423 528 1HD2 LEU 64 2HD2 LEU 64 -15.100 -10.052 2.436 529 2HD2 LEU 64 3HD2 LEU 64 -14.571 -11.183 3.681 530 3HD2 LEU 64 1HD2 LEU 64 -15.734 -9.861 4.068 531 H GLY 65 H GLY 65 -15.111 -5.009 2.270 532 1HA GLY 65 1HA GLY 65 -15.435 -2.798 2.494 533 2HA GLY 65 2HA GLY 65 -15.823 -3.030 4.199 534 H SER 66 H SER 66 -14.154 -2.648 5.728 535 HA SER 66 HA SER 66 -11.967 -0.949 4.809 536 1HB SER 66 1HB SER 66 -13.169 -1.359 7.276 537 2HB SER 66 2HB SER 66 -11.618 -2.177 7.493 538 HG SER 66 HG SER 66 -10.562 -0.280 6.920 539 H ASN 67 H ASN 67 -12.209 -4.253 5.978 540 HA ASN 67 HA ASN 67 -9.432 -4.960 5.762 541 1HB ASN 67 1HB ASN 67 -12.054 -6.505 5.882 542 2HB ASN 67 2HB ASN 67 -10.484 -7.289 5.739 543 1HD2 ASN 67 2HD2 ASN 67 -10.237 -5.458 9.270 544 2HD2 ASN 67 1HD2 ASN 67 -10.071 -4.528 7.783 545 H LEU 68 H LEU 68 -11.818 -4.450 3.228 546 HA LEU 68 HA LEU 68 -11.250 -6.680 1.656 547 1HB LEU 68 1HB LEU 68 -13.139 -5.289 1.275 548 2HB LEU 68 2HB LEU 68 -12.118 -3.936 0.747 549 HG LEU 68 HG LEU 68 -11.285 -5.934 -0.966 550 1HD1 LEU 68 2HD1 LEU 68 -13.057 -7.480 0.020 551 2HD1 LEU 68 3HD1 LEU 68 -14.257 -6.439 -0.765 552 3HD1 LEU 68 1HD1 LEU 68 -13.057 -7.286 -1.741 553 1HD2 LEU 68 1HD2 LEU 68 -11.937 -3.675 -1.609 554 2HD2 LEU 68 2HD2 LEU 68 -12.657 -4.903 -2.667 555 3HD2 LEU 68 3HD2 LEU 68 -13.652 -4.108 -1.424 556 H VAL 69 H VAL 69 -9.489 -7.298 0.928 557 HA VAL 69 HA VAL 69 -7.180 -5.728 0.085 558 HB VAL 69 HB VAL 69 -6.957 -7.938 1.173 559 1HG1 VAL 69 3HG1 VAL 69 -9.111 -8.843 -0.218 560 2HG1 VAL 69 1HG1 VAL 69 -7.800 -9.489 -1.204 561 3HG1 VAL 69 2HG1 VAL 69 -7.897 -9.844 0.535 562 1HG2 VAL 69 2HG2 VAL 69 -5.164 -7.165 -0.287 563 2HG2 VAL 69 3HG2 VAL 69 -5.344 -8.924 -0.407 564 3HG2 VAL 69 1HG2 VAL 69 -5.953 -7.891 -1.703 565 H THR 70 H THR 70 -6.753 -5.185 -2.047 566 HA THR 70 HA THR 70 -8.254 -6.439 -4.230 567 HB THR 70 HB THR 70 -8.719 -4.303 -5.329 568 HG1 THR 70 1HG THR 70 -7.540 -2.783 -4.728 569 1HG2 THR 70 3HG2 THR 70 -10.443 -5.245 -3.798 570 2HG2 THR 70 1HG2 THR 70 -9.790 -4.310 -2.453 571 3HG2 THR 70 2HG2 THR 70 -10.498 -3.465 -3.840 572 H GLU 71 H GLU 71 -7.116 -5.635 -6.352 573 HA GLU 71 HA GLU 71 -4.534 -6.562 -6.418 574 1HB GLU 71 1HB GLU 71 -4.379 -5.063 -8.549 575 2HB GLU 71 2HB GLU 71 -5.399 -6.494 -8.472 576 1HG GLU 71 1HG GLU 71 -6.499 -4.694 -9.575 577 2HG GLU 71 2HG GLU 71 -7.393 -5.178 -8.148 578 H VAL 72 H VAL 72 -5.551 -3.170 -6.035 579 HA VAL 72 HA VAL 72 -2.985 -2.058 -6.174 580 HB VAL 72 HB VAL 72 -5.137 -0.941 -6.575 581 1HG1 VAL 72 2HG1 VAL 72 -5.807 -1.751 -3.917 582 2HG1 VAL 72 3HG1 VAL 72 -5.813 0.009 -3.972 583 3HG1 VAL 72 1HG1 VAL 72 -6.793 -0.917 -5.113 584 1HG2 VAL 72 2HG2 VAL 72 -3.003 0.242 -6.190 585 2HG2 VAL 72 3HG2 VAL 72 -4.438 1.212 -5.851 586 3HG2 VAL 72 1HG2 VAL 72 -3.484 0.542 -4.505 587 H ARG 73 H ARG 73 -4.502 -3.760 -3.584 588 HA ARG 73 HA ARG 73 -2.849 -2.574 -1.474 589 1HB ARG 73 1HB ARG 73 -4.607 -5.035 -1.408 590 2HB ARG 73 2HB ARG 73 -3.842 -4.238 -0.047 591 1HG ARG 73 1HG ARG 73 -5.990 -3.010 -1.861 592 2HG ARG 73 2HG ARG 73 -6.220 -3.652 -0.244 593 1HD ARG 73 1HD ARG 73 -5.845 -1.726 0.630 594 2HD ARG 73 2HD ARG 73 -4.160 -1.747 0.100 595 HE ARG 73 HE ARG 73 -5.644 -0.818 -2.095 596 1HH1 ARG 73 2HH2 ARG 73 -5.282 0.106 1.251 597 2HH1 ARG 73 1HH2 ARG 73 -5.410 1.822 1.041 598 1HH2 ARG 73 2HH1 ARG 73 -5.929 1.584 -2.511 599 2HH2 ARG 73 1HH1 ARG 73 -6.208 2.563 -1.114 600 H VAL 74 H VAL 74 -3.085 -5.613 -3.318 601 HA VAL 74 HA VAL 74 -0.747 -6.843 -2.348 602 HB VAL 74 HB VAL 74 -1.899 -6.976 -5.170 603 1HG1 VAL 74 1HG1 VAL 74 0.035 -8.729 -3.609 604 2HG1 VAL 74 2HG1 VAL 74 -0.758 -9.212 -5.120 605 3HG1 VAL 74 3HG1 VAL 74 0.364 -7.843 -5.114 606 1HG2 VAL 74 3HG2 VAL 74 -3.577 -7.627 -3.414 607 2HG2 VAL 74 1HG2 VAL 74 -3.044 -8.989 -4.407 608 3HG2 VAL 74 2HG2 VAL 74 -2.389 -8.784 -2.779 609 H TYR 75 H TYR 75 -1.315 -4.639 -5.074 610 HA TYR 75 HA TYR 75 1.248 -4.375 -6.072 611 1HB TYR 75 1HB TYR 75 -1.114 -3.424 -6.834 612 2HB TYR 75 2HB TYR 75 -0.564 -1.957 -6.034 613 HD1 TYR 75 1HD TYR 75 2.018 -1.320 -6.725 614 HD2 TYR 75 2HD TYR 75 -0.702 -3.719 -9.071 615 HE1 TYR 75 1HE TYR 75 3.325 -0.827 -8.759 616 HE2 TYR 75 2HE TYR 75 0.574 -3.174 -11.103 617 HH TYR 75 HH TYR 75 2.029 -1.517 -11.941 618 H ASN 76 H ASN 76 -0.360 -2.156 -3.664 619 HA ASN 76 HA ASN 76 2.008 -0.656 -3.418 620 1HB ASN 76 1HB ASN 76 1.121 0.583 -1.694 621 2HB ASN 76 2HB ASN 76 -0.195 0.239 -2.809 622 1HD2 ASN 76 2HD2 ASN 76 -2.187 -0.958 -0.212 623 2HD2 ASN 76 1HD2 ASN 76 -1.996 -0.607 -1.934 624 H TRP 77 H TRP 77 1.066 -3.571 -1.547 625 HA TRP 77 HA TRP 77 3.318 -3.124 0.256 626 1HB TRP 77 1HB TRP 77 2.501 -4.674 1.521 627 2HB TRP 77 2HB TRP 77 1.109 -4.694 0.442 628 HD1 TRP 77 HD TRP 77 1.124 -6.604 -1.432 629 HE1 TRP 77 1HE TRP 77 2.121 -8.934 -1.549 630 HE3 TRP 77 3HE TRP 77 4.139 -6.360 2.686 631 HZ2 TRP 77 2HZ TRP 77 3.915 -10.566 0.054 632 HZ3 TRP 77 3HZ TRP 77 5.198 -8.449 3.486 633 HH2 TRP 77 HH TRP 77 5.313 -10.470 2.041 634 H PHE 78 H PHE 78 2.845 -5.347 -2.603 635 HA PHE 78 HA PHE 78 5.512 -6.340 -2.517 636 1HB PHE 78 1HB PHE 78 3.322 -6.404 -4.516 637 2HB PHE 78 2HB PHE 78 4.913 -6.288 -5.230 638 HD1 PHE 78 2HD PHE 78 4.562 -8.199 -2.058 639 HD2 PHE 78 1HD PHE 78 4.853 -8.421 -6.331 640 HE1 PHE 78 2HE PHE 78 4.351 -10.670 -1.968 641 HE2 PHE 78 1HE PHE 78 4.958 -10.913 -6.167 642 HZ PHE 78 HZ PHE 78 4.586 -12.016 -3.953 643 H ALA 79 H ALA 79 4.223 -3.566 -4.347 644 HA ALA 79 HA ALA 79 6.641 -2.838 -5.592 645 1HB ALA 79 2HB ALA 79 4.432 -1.958 -6.241 646 2HB ALA 79 3HB ALA 79 4.356 -1.023 -4.726 647 3HB ALA 79 1HB ALA 79 5.590 -0.653 -5.945 648 H ASN 80 H ASN 80 5.855 -2.609 -2.216 649 HA ASN 80 HA ASN 80 8.033 -0.655 -1.696 650 1HB ASN 80 1HB ASN 80 5.744 -1.716 -0.055 651 2HB ASN 80 2HB ASN 80 7.242 -1.200 0.727 652 1HD2 ASN 80 2HD2 ASN 80 4.719 1.635 -0.680 653 2HD2 ASN 80 1HD2 ASN 80 4.362 -0.084 -0.788 654 H ARG 81 H ARG 81 7.045 -4.032 -0.872 655 HA ARG 81 HA ARG 81 9.413 -4.861 0.381 656 1HB ARG 81 1HB ARG 81 7.225 -6.186 -1.177 657 2HB ARG 81 2HB ARG 81 8.683 -7.129 -0.981 658 1HG ARG 81 1HG ARG 81 7.695 -5.822 1.531 659 2HG ARG 81 2HG ARG 81 6.622 -7.019 0.818 660 1HD ARG 81 1HD ARG 81 8.242 -8.034 2.468 661 2HD ARG 81 2HD ARG 81 8.200 -8.756 0.882 662 HE ARG 81 HE ARG 81 10.387 -8.221 0.523 663 1HH1 ARG 81 2HH2 ARG 81 9.265 -6.133 3.240 664 2HH1 ARG 81 1HH2 ARG 81 10.895 -5.463 3.413 665 1HH2 ARG 81 2HH1 ARG 81 12.525 -7.569 1.210 666 2HH2 ARG 81 1HH1 ARG 81 12.609 -6.227 2.360 667 H ARG 82 H ARG 82 8.698 -5.257 -3.149 668 HA ARG 82 HA ARG 82 11.365 -6.073 -3.741 669 1HB ARG 82 1HB ARG 82 10.939 -5.606 -6.040 670 2HB ARG 82 2HB ARG 82 9.777 -6.691 -5.290 671 1HG ARG 82 1HG ARG 82 8.025 -5.287 -5.505 672 2HG ARG 82 2HG ARG 82 8.982 -3.790 -5.356 673 1HD ARG 82 1HD ARG 82 9.051 -5.696 -7.724 674 2HD ARG 82 2HD ARG 82 7.975 -4.292 -7.634 675 HE ARG 82 HE ARG 82 10.987 -4.277 -7.743 676 1HH1 ARG 82 2HH2 ARG 82 8.025 -2.787 -9.059 677 2HH1 ARG 82 1HH2 ARG 82 8.823 -1.274 -9.360 678 1HH2 ARG 82 2HH1 ARG 82 11.988 -2.636 -8.595 679 2HH2 ARG 82 1HH1 ARG 82 11.164 -1.398 -9.514 680 H LYS 83 H LYS 83 10.109 -2.901 -3.026 681 HA LYS 83 HA LYS 83 12.344 -1.519 -4.281 682 1HB LYS 83 1HB LYS 83 9.890 -0.784 -2.849 683 2HB LYS 83 2HB LYS 83 11.249 0.060 -2.131 684 1HG LYS 83 1HG LYS 83 9.988 1.281 -3.845 685 2HG LYS 83 2HG LYS 83 11.706 1.196 -4.186 686 1HD LYS 83 1HD LYS 83 11.454 -0.216 -6.024 687 2HD LYS 83 2HD LYS 83 9.993 -0.981 -5.393 688 1HE LYS 83 1HE LYS 83 10.149 1.876 -6.493 689 2HE LYS 83 2HE LYS 83 9.574 0.460 -7.368 690 1HZ LYS 83 3HZ LYS 83 7.818 0.232 -5.638 691 2HZ LYS 83 1HZ LYS 83 8.257 1.651 -4.999 692 3HZ LYS 83 2HZ LYS 83 7.740 1.647 -6.515 693 H GLU 84 H GLU 84 11.544 -2.631 -0.968 694 HA GLU 84 HA GLU 84 14.038 -1.850 0.117 695 1HB GLU 84 1HB GLU 84 12.088 -2.786 1.415 696 2HB GLU 84 2HB GLU 84 12.537 -4.395 0.824 697 1HG GLU 84 1HG GLU 84 14.753 -4.186 1.874 698 2HG GLU 84 2HG GLU 84 14.420 -2.500 2.301 699 H GLU 85 H GLU 85 13.032 -4.548 -1.943 700 HA GLU 85 HA GLU 85 15.710 -5.776 -1.713 701 1HB GLU 85 1HB GLU 85 13.408 -7.039 -1.559 702 2HB GLU 85 2HB GLU 85 13.431 -6.952 -3.330 703 1HG GLU 85 1HG GLU 85 15.744 -7.980 -3.270 704 2HG GLU 85 2HG GLU 85 15.609 -8.045 -1.516 705 H ALA 86 H ALA 86 15.391 -3.260 -3.185 706 HA ALA 86 HA ALA 86 16.932 -4.021 -5.551 707 1HB ALA 86 2HB ALA 86 14.570 -4.439 -6.370 708 2HB ALA 86 3HB ALA 86 14.170 -2.753 -6.008 709 3HB ALA 86 1HB ALA 86 15.384 -3.133 -7.225 710 H PHE 87 H PHE 87 14.756 -1.474 -4.403 711 HA PHE 87 HA PHE 87 16.379 0.712 -5.157 712 1HB PHE 87 1HB PHE 87 13.863 0.537 -4.329 713 2HB PHE 87 2HB PHE 87 14.534 0.881 -2.744 714 HD1 PHE 87 2HD PHE 87 16.467 2.894 -2.914 715 HD2 PHE 87 1HD PHE 87 13.110 2.365 -5.575 716 HE1 PHE 87 2HE PHE 87 16.520 5.295 -3.542 717 HE2 PHE 87 1HE PHE 87 12.904 4.791 -5.794 718 HZ PHE 87 HZ PHE 87 14.631 6.285 -4.808 719 H ARG 88 H ARG 88 15.785 -0.757 -1.910 720 HA ARG 88 HA ARG 88 17.841 0.771 -0.709 721 1HB ARG 88 1HB ARG 88 15.884 -0.779 0.339 722 2HB ARG 88 2HB ARG 88 17.209 -1.929 0.450 723 1HG ARG 88 1HG ARG 88 17.494 -0.944 2.472 724 2HG ARG 88 2HG ARG 88 18.470 0.194 1.548 725 1HD ARG 88 1HD ARG 88 15.562 0.432 2.440 726 2HD ARG 88 2HD ARG 88 16.889 1.412 3.014 727 HE ARG 88 HE ARG 88 15.269 1.660 0.595 728 1HH1 ARG 88 2HH2 ARG 88 18.204 2.831 2.253 729 2HH1 ARG 88 1HH2 ARG 88 18.260 4.333 1.421 730 1HH2 ARG 88 2HH1 ARG 88 15.540 3.502 -0.767 731 2HH2 ARG 88 1HH1 ARG 88 16.897 4.579 -0.565 732 H HIS 89 H HIS 89 17.812 -2.367 -2.281 733 HA HIS 89 HA HIS 89 20.336 -3.288 -1.339 734 1HB HIS 89 1HB HIS 89 18.324 -4.565 -2.441 735 2HB HIS 89 2HB HIS 89 19.103 -4.148 -3.968 736 HD1 HIS 89 1HD HIS 89 19.361 -6.550 -1.046 737 HD2 HIS 89 2HD HIS 89 21.692 -5.158 -4.269 738 HE1 HIS 89 1HE HIS 89 21.297 -8.176 -1.290 739 H LYS 90 H LYS 90 19.402 -1.266 -4.115 740 HA LYS 90 HA LYS 90 22.186 -1.386 -5.125 741 1HB LYS 90 1HB LYS 90 20.184 -2.107 -6.431 742 2HB LYS 90 2HB LYS 90 19.719 -0.420 -6.598 743 1HG LYS 90 1HG LYS 90 21.595 0.100 -7.925 744 2HG LYS 90 2HG LYS 90 22.534 -1.274 -7.397 745 1HD LYS 90 1HD LYS 90 20.102 -1.319 -9.232 746 2HD LYS 90 2HD LYS 90 21.769 -1.608 -9.693 747 1HE LYS 90 1HE LYS 90 19.902 -3.419 -8.107 748 2HE LYS 90 2HE LYS 90 20.701 -3.751 -9.627 749 1HZ LYS 90 3HZ LYS 90 22.282 -3.428 -7.126 750 2HZ LYS 90 1HZ LYS 90 21.611 -4.840 -7.580 751 3HZ LYS 90 2HZ LYS 90 22.749 -4.107 -8.519 752 H LEU 91 H LEU 91 19.611 1.068 -4.595 753 HA LEU 91 HA LEU 91 21.370 3.245 -4.684 754 1HB LEU 91 1HB LEU 91 18.470 3.082 -3.899 755 2HB LEU 91 2HB LEU 91 19.400 4.545 -4.064 756 HG LEU 91 HG LEU 91 18.352 4.546 -6.023 757 1HD1 LEU 91 2HD1 LEU 91 20.773 4.677 -6.449 758 2HD1 LEU 91 3HD1 LEU 91 20.773 2.947 -6.890 759 3HD1 LEU 91 1HD1 LEU 91 19.836 4.111 -7.839 760 1HD2 LEU 91 1HD2 LEU 91 18.504 1.541 -6.219 761 2HD2 LEU 91 2HD2 LEU 91 17.093 2.610 -5.997 762 3HD2 LEU 91 3HD2 LEU 91 17.994 2.627 -7.520 763 H ALA 92 H ALA 92 19.643 4.143 -2.170 764 HA ALA 92 HA ALA 92 19.840 4.289 0.016 765 1HB ALA 92 3HB ALA 92 19.537 1.788 0.071 766 2HB ALA 92 1HB ALA 92 21.301 1.607 0.104 767 3HB ALA 92 2HB ALA 92 20.482 2.413 1.428 768 H MET 93 H MET 93 22.157 4.947 -1.888 769 HA MET 93 HA MET 93 23.827 5.934 0.399 770 1HB MET 93 1HB MET 93 24.554 5.499 -2.533 771 2HB MET 93 2HB MET 93 25.458 6.573 -1.468 772 1HG MET 93 1HG MET 93 26.588 4.474 -1.545 773 2HG MET 93 2HG MET 93 25.954 4.752 0.074 774 1HE MET 93 3HE MET 93 27.168 2.023 -0.762 775 2HE MET 93 1HE MET 93 26.428 2.311 0.825 776 3HE MET 93 2HE MET 93 25.958 0.882 -0.125 777 H ASP 94 H ASP 94 21.098 6.579 -0.860 778 HA ASP 94 HA ASP 94 21.154 9.338 -0.429 779 1HB ASP 94 1HB ASP 94 22.416 9.277 -2.717 780 2HB ASP 94 2HB ASP 94 20.920 8.715 -3.430 781 H THR 95 H THR 95 19.270 8.098 0.760 782 HA THR 95 HA THR 95 16.968 9.116 -0.518 783 HB THR 95 HB THR 95 16.012 6.444 -0.055 784 HG1 THR 95 1HG THR 95 18.080 6.552 -1.964 785 1HG2 THR 95 1HG2 THR 95 15.065 8.293 -1.526 786 2HG2 THR 95 2HG2 THR 95 16.257 7.811 -2.742 787 3HG2 THR 95 3HG2 THR 95 15.032 6.663 -2.175 788 H TYR 96 H TYR 96 14.955 8.689 0.605 789 HA TYR 96 HA TYR 96 15.095 8.662 3.537 790 1HB TYR 96 1HB TYR 96 12.759 9.336 3.364 791 2HB TYR 96 2HB TYR 96 13.749 10.335 2.341 792 HD1 TYR 96 1HD TYR 96 13.671 10.108 -0.138 793 HD2 TYR 96 2HD TYR 96 10.927 8.002 2.422 794 HE1 TYR 96 1HE TYR 96 12.396 9.401 -2.113 795 HE2 TYR 96 2HE TYR 96 9.530 7.458 0.451 796 HH TYR 96 HH TYR 96 10.555 8.311 -2.868 797 H LYS 97 H LYS 97 12.612 7.311 4.100 798 HA LYS 97 HA LYS 97 13.550 4.633 4.232 799 1HB LYS 97 1HB LYS 97 10.881 5.826 4.743 800 2HB LYS 97 2HB LYS 97 11.223 4.100 4.961 801 1HG LYS 97 1HG LYS 97 13.074 4.769 6.545 802 2HG LYS 97 2HG LYS 97 12.501 6.434 6.448 803 1HD LYS 97 1HD LYS 97 10.931 3.992 7.445 804 2HD LYS 97 2HD LYS 97 11.621 5.301 8.408 805 1HE LYS 97 1HE LYS 97 9.358 5.805 8.353 806 2HE LYS 97 2HE LYS 97 10.059 6.927 7.185 807 1HZ LYS 97 1HZ LYS 97 8.698 4.385 6.459 808 2HZ LYS 97 2HZ LYS 97 7.970 5.848 6.536 809 3HZ LYS 97 3HZ LYS 97 9.114 5.591 5.426 810 H LEU 98 H LEU 98 10.564 5.705 2.642 811 HA LEU 98 HA LEU 98 9.132 4.697 1.366 812 1HB LEU 98 1HB LEU 98 9.643 3.784 -0.785 813 2HB LEU 98 2HB LEU 98 10.133 5.445 -0.566 814 HG LEU 98 HG LEU 98 12.171 3.228 -0.310 815 1HD1 LEU 98 2HD1 LEU 98 10.951 2.839 -2.389 816 2HD1 LEU 98 3HD1 LEU 98 11.302 4.504 -2.910 817 3HD1 LEU 98 1HD1 LEU 98 12.625 3.349 -2.640 818 1HD2 LEU 98 2HD2 LEU 98 12.770 5.684 0.258 819 2HD2 LEU 98 3HD2 LEU 98 13.740 4.926 -1.015 820 3HD2 LEU 98 1HD2 LEU 98 12.439 6.050 -1.440 821 H ASN 99 H ASN 99 8.442 3.365 2.936 822 HA ASN 99 HA ASN 99 8.679 0.524 2.325 823 1HB ASN 99 2HB ASN 99 9.068 -0.192 4.516 824 2HB ASN 99 3HB ASN 99 10.227 1.127 4.369 825 1HD2 ASN 99 2HD2 ASN 99 7.027 1.319 6.992 826 2HD2 ASN 99 1HD2 ASN 99 7.500 -0.116 6.087 No H/Q in entry = 826 Start of MODEL 19 1 1H MET 0 2H MET 0 2.795 -3.977 27.246 2 2H MET 0 3H MET 0 2.213 -5.332 26.566 3 3H MET 0 1H MET 0 2.870 -4.177 25.619 4 HA MET 0 HA MET 0 1.049 -2.678 25.992 5 1HB MET 0 2HB MET 0 -0.049 -5.504 25.701 6 2HB MET 0 3HB MET 0 -0.909 -4.009 25.308 7 1HG MET 0 2HG MET 0 1.600 -4.893 23.833 8 2HG MET 0 3HG MET 0 -0.060 -5.213 23.370 9 1HE MET 0 2HE MET 0 2.276 -2.096 24.305 10 2HE MET 0 3HE MET 0 2.808 -2.692 22.720 11 3HE MET 0 1HE MET 0 1.983 -1.145 22.846 12 H ALA 1 H ALA 1 -1.332 -2.798 26.995 13 HA ALA 1 HA ALA 1 -2.197 -3.999 29.205 14 1HB ALA 1 2HB ALA 1 -0.326 -1.785 30.137 15 2HB ALA 1 3HB ALA 1 -1.626 -2.453 31.127 16 3HB ALA 1 1HB ALA 1 -0.303 -3.496 30.646 17 H ARG 2 H ARG 2 -3.689 -3.222 27.432 18 HA ARG 2 HA ARG 2 -5.138 -1.761 26.450 19 1HB ARG 2 1HB ARG 2 -6.444 -2.260 28.338 20 2HB ARG 2 2HB ARG 2 -5.650 -1.024 29.336 21 1HG ARG 2 1HG ARG 2 -6.733 0.735 28.300 22 2HG ARG 2 2HG ARG 2 -6.896 -0.096 26.750 23 1HD ARG 2 1HD ARG 2 -8.534 -0.785 29.236 24 2HD ARG 2 2HD ARG 2 -9.002 0.350 27.979 25 HE ARG 2 HE ARG 2 -9.226 -1.215 26.342 26 1HH1 ARG 2 2HH2 ARG 2 -8.482 -2.787 29.451 27 2HH1 ARG 2 1HH2 ARG 2 -9.471 -4.176 29.150 28 1HH2 ARG 2 2HH1 ARG 2 -10.328 -3.172 25.813 29 2HH2 ARG 2 1HH1 ARG 2 -10.220 -4.527 26.906 30 H ILE 3 H ILE 3 -3.107 -0.845 25.541 31 HA ILE 3 HA ILE 3 -2.652 1.978 26.361 32 HB ILE 3 HB ILE 3 -0.624 0.870 25.901 33 1HG1 ILE 3 1HG1 ILE 3 -1.424 2.790 23.667 34 2HG1 ILE 3 2HG1 ILE 3 -0.735 3.170 25.249 35 1HG2 ILE 3 2HG2 ILE 3 -1.440 -1.002 24.462 36 2HG2 ILE 3 3HG2 ILE 3 -1.516 0.126 23.092 37 3HG2 ILE 3 1HG2 ILE 3 0.017 -0.216 23.898 38 1HD1 ILE 3 1HD1 ILE 3 1.328 1.872 24.547 39 2HD1 ILE 3 2HD1 ILE 3 0.619 1.752 22.917 40 3HD1 ILE 3 3HD1 ILE 3 0.994 3.338 23.593 41 H ASP 4 H ASP 4 -4.990 2.404 25.987 42 HA ASP 4 HA ASP 4 -6.108 1.688 23.561 43 1HB ASP 4 1HB ASP 4 -8.003 3.150 23.973 44 2HB ASP 4 2HB ASP 4 -7.587 2.093 25.331 45 HA PRO 5 HA PRO 5 -5.009 5.532 21.235 46 1HB PRO 5 1HB PRO 5 -2.878 7.071 21.904 47 2HB PRO 5 2HB PRO 5 -4.470 7.229 22.691 48 1HG PRO 5 1HG PRO 5 -2.072 5.714 23.721 49 2HG PRO 5 2HG PRO 5 -3.081 6.892 24.611 50 1HD PRO 5 1HD PRO 5 -3.435 4.181 24.736 51 2HD PRO 5 2HD PRO 5 -4.843 5.263 24.880 52 H THR 6 H THR 6 -4.280 2.860 20.878 53 HA THR 6 HA THR 6 -1.476 2.562 20.370 54 HB THR 6 HB THR 6 -3.502 0.857 18.920 55 HG1 THR 6 1HG THR 6 -3.073 1.034 21.687 56 1HG2 THR 6 3HG2 THR 6 -1.053 0.470 18.664 57 2HG2 THR 6 1HG2 THR 6 -0.922 0.218 20.416 58 3HG2 THR 6 2HG2 THR 6 -1.889 -0.898 19.424 59 H LYS 7 H LYS 7 -4.257 3.324 18.217 60 HA LYS 7 HA LYS 7 -2.358 3.709 15.960 61 1HB LYS 7 1HB LYS 7 -4.175 2.783 14.509 62 2HB LYS 7 2HB LYS 7 -3.325 1.651 15.555 63 1HG LYS 7 1HG LYS 7 -5.145 1.330 17.003 64 2HG LYS 7 2HG LYS 7 -5.923 2.833 16.530 65 1HD LYS 7 1HD LYS 7 -7.212 1.019 15.597 66 2HD LYS 7 2HD LYS 7 -6.453 1.951 14.310 67 1HE LYS 7 1HE LYS 7 -6.064 -0.256 13.613 68 2HE LYS 7 2HE LYS 7 -4.545 0.176 14.404 69 1HZ LYS 7 2HZ LYS 7 -5.469 -1.005 16.417 70 2HZ LYS 7 3HZ LYS 7 -6.667 -1.542 15.449 71 3HZ LYS 7 1HZ LYS 7 -5.134 -1.933 15.092 72 H LYS 8 H LYS 8 -5.573 4.232 15.061 73 HA LYS 8 HA LYS 8 -6.685 6.106 14.424 74 1HB LYS 8 1HB LYS 8 -5.446 7.399 16.899 75 2HB LYS 8 2HB LYS 8 -6.795 8.014 15.955 76 1HG LYS 8 1HG LYS 8 -8.121 5.988 16.458 77 2HG LYS 8 2HG LYS 8 -6.756 5.263 17.295 78 1HD LYS 8 1HD LYS 8 -8.398 6.088 18.849 79 2HD LYS 8 2HD LYS 8 -6.804 6.763 19.098 80 1HE LYS 8 1HE LYS 8 -8.690 8.432 19.326 81 2HE LYS 8 2HE LYS 8 -7.418 8.896 18.193 82 1HZ LYS 8 3HZ LYS 8 -10.032 7.717 17.434 83 2HZ LYS 8 1HZ LYS 8 -9.634 9.284 17.270 84 3HZ LYS 8 2HZ LYS 8 -8.873 8.159 16.378 85 H GLY 9 H GLY 9 -4.567 5.472 13.043 86 1HA GLY 9 1HA GLY 9 -2.306 7.240 13.343 87 2HA GLY 9 2HA GLY 9 -2.520 5.903 12.209 88 H ARG 10 H ARG 10 -5.062 8.115 11.866 89 HA ARG 10 HA ARG 10 -5.806 9.026 9.985 90 1HB ARG 10 1HB ARG 10 -4.178 10.702 8.800 91 2HB ARG 10 2HB ARG 10 -5.026 11.044 10.290 92 1HG ARG 10 1HG ARG 10 -2.914 10.461 11.589 93 2HG ARG 10 2HG ARG 10 -2.089 10.341 10.018 94 1HD ARG 10 1HD ARG 10 -1.648 12.481 10.915 95 2HD ARG 10 2HD ARG 10 -2.737 12.707 9.558 96 HE ARG 10 HE ARG 10 -4.632 12.794 11.286 97 1HH1 ARG 10 2HH2 ARG 10 -1.413 13.595 12.576 98 2HH1 ARG 10 1HH2 ARG 10 -2.007 15.001 13.420 99 1HH2 ARG 10 2HH1 ARG 10 -5.304 14.674 12.210 100 2HH2 ARG 10 1HH1 ARG 10 -4.349 15.458 13.459 101 H ARG 11 H ARG 11 -2.487 8.716 8.634 102 HA ARG 11 HA ARG 11 -3.345 7.067 6.550 103 1HB ARG 11 1HB ARG 11 -0.981 8.419 7.162 104 2HB ARG 11 2HB ARG 11 -0.538 6.728 7.386 105 1HG ARG 11 1HG ARG 11 -1.703 6.404 5.019 106 2HG ARG 11 2HG ARG 11 -1.501 8.157 4.914 107 1HD ARG 11 1HD ARG 11 1.025 7.337 5.796 108 2HD ARG 11 2HD ARG 11 0.507 5.924 4.907 109 HE ARG 11 HE ARG 11 0.845 7.030 2.920 110 1HH1 ARG 11 2HH2 ARG 11 0.779 9.366 5.562 111 2HH1 ARG 11 1HH2 ARG 11 1.251 10.720 4.577 112 1HH2 ARG 11 2HH1 ARG 11 1.334 8.881 1.546 113 2HH2 ARG 11 1HH1 ARG 11 1.328 10.473 2.274 114 H ASN 12 H ASN 12 -2.083 4.741 6.443 115 HA ASN 12 HA ASN 12 -1.828 2.641 7.244 116 1HB ASN 12 1HB ASN 12 -0.486 3.778 9.099 117 2HB ASN 12 2HB ASN 12 -1.927 3.644 10.111 118 1HD2 ASN 12 2HD2 ASN 12 0.474 0.390 9.486 119 2HD2 ASN 12 1HD2 ASN 12 0.819 1.962 8.766 120 H ARG 13 H ARG 13 -4.431 4.158 6.855 121 HA ARG 13 HA ARG 13 -6.309 3.236 8.839 122 1HB ARG 13 1HB ARG 13 -8.026 4.051 7.506 123 2HB ARG 13 2HB ARG 13 -6.696 5.163 7.293 124 1HG ARG 13 1HG ARG 13 -7.590 5.041 5.187 125 2HG ARG 13 2HG ARG 13 -6.295 3.881 5.053 126 1HD ARG 13 1HD ARG 13 -7.888 2.425 4.287 127 2HD ARG 13 2HD ARG 13 -8.520 2.313 5.942 128 HE ARG 13 HE ARG 13 -9.781 4.547 4.959 129 1HH1 ARG 13 2HH2 ARG 13 -9.922 1.044 4.300 130 2HH1 ARG 13 1HH2 ARG 13 -11.072 1.264 3.011 131 1HH2 ARG 13 2HH1 ARG 13 -11.696 4.587 3.651 132 2HH2 ARG 13 1HH1 ARG 13 -12.213 3.082 2.870 133 H PHE 14 H PHE 14 -5.550 2.134 5.577 134 HA PHE 14 HA PHE 14 -6.853 -0.461 5.855 135 1HB PHE 14 1HB PHE 14 -6.385 0.368 3.610 136 2HB PHE 14 2HB PHE 14 -4.664 0.508 3.979 137 HD1 PHE 14 1HD PHE 14 -3.304 -1.605 4.466 138 HD2 PHE 14 2HD PHE 14 -7.392 -1.840 3.084 139 HE1 PHE 14 1HE PHE 14 -2.950 -3.936 3.767 140 HE2 PHE 14 2HE PHE 14 -6.999 -4.176 2.427 141 HZ PHE 14 HZ PHE 14 -4.724 -5.141 2.508 142 H LYS 15 H LYS 15 -6.023 -2.202 6.799 143 HA LYS 15 HA LYS 15 -3.131 -2.452 7.270 144 1HB LYS 15 1HB LYS 15 -3.441 -3.692 9.280 145 2HB LYS 15 2HB LYS 15 -4.265 -2.140 9.492 146 1HG LYS 15 1HG LYS 15 -6.299 -3.871 8.535 147 2HG LYS 15 2HG LYS 15 -5.292 -4.917 9.495 148 1HD LYS 15 1HD LYS 15 -7.083 -4.002 10.830 149 2HD LYS 15 2HD LYS 15 -5.533 -3.471 11.444 150 1HE LYS 15 1HE LYS 15 -7.435 -1.756 11.372 151 2HE LYS 15 2HE LYS 15 -5.881 -1.216 10.757 152 1HZ LYS 15 1HZ LYS 15 -7.737 -2.270 8.752 153 2HZ LYS 15 2HZ LYS 15 -8.106 -0.856 9.496 154 3HZ LYS 15 3HZ LYS 15 -6.713 -0.968 8.711 155 H TRP 16 H TRP 16 -2.568 -4.755 6.863 156 HA TRP 16 HA TRP 16 -4.380 -6.091 4.938 157 1HB TRP 16 1HB TRP 16 -1.686 -6.735 6.203 158 2HB TRP 16 2HB TRP 16 -2.593 -7.907 5.235 159 HD1 TRP 16 HD TRP 16 -0.204 -5.089 4.764 160 HE1 TRP 16 1HE TRP 16 0.416 -5.017 2.266 161 HE3 TRP 16 3HE TRP 16 -3.761 -8.277 2.933 162 HZ2 TRP 16 2HZ TRP 16 -0.605 -6.080 -0.217 163 HZ3 TRP 16 3HZ TRP 16 -3.598 -9.041 0.586 164 HH2 TRP 16 HH TRP 16 -2.182 -7.819 -1.027 165 H GLY 17 H GLY 17 -3.012 -8.352 7.122 166 1HA GLY 17 1HA GLY 17 -4.780 -8.228 9.332 167 2HA GLY 17 2HA GLY 17 -5.457 -9.274 8.064 168 HA PRO 18 HA PRO 18 -1.826 -11.204 10.442 169 1HB PRO 18 1HB PRO 18 -3.052 -12.793 12.317 170 2HB PRO 18 2HB PRO 18 -2.682 -11.068 12.580 171 1HG PRO 18 1HG PRO 18 -5.294 -12.299 11.675 172 2HG PRO 18 2HG PRO 18 -5.052 -11.093 12.974 173 1HD PRO 18 1HD PRO 18 -5.798 -10.354 10.457 174 2HD PRO 18 2HD PRO 18 -4.640 -9.362 11.394 175 H ALA 19 H ALA 19 -4.689 -12.426 8.917 176 HA ALA 19 HA ALA 19 -3.614 -15.174 8.487 177 1HB ALA 19 3HB ALA 19 -6.082 -13.726 7.386 178 2HB ALA 19 1HB ALA 19 -5.632 -15.412 7.072 179 3HB ALA 19 2HB ALA 19 -6.068 -14.905 8.714 180 H SER 20 H SER 20 -4.585 -12.341 6.541 181 HA SER 20 HA SER 20 -3.707 -12.667 4.159 182 1HB SER 20 1HB SER 20 -2.781 -10.185 5.582 183 2HB SER 20 2HB SER 20 -3.681 -10.320 4.065 184 HG SER 20 HG SER 20 -5.521 -10.466 5.189 185 H GLN 21 H GLN 21 -1.403 -11.935 6.807 186 HA GLN 21 HA GLN 21 0.902 -11.453 5.248 187 1HB GLN 21 1HB GLN 21 0.828 -12.939 7.910 188 2HB GLN 21 2HB GLN 21 2.199 -12.088 7.187 189 1HG GLN 21 1HG GLN 21 -0.271 -10.923 8.449 190 2HG GLN 21 2HG GLN 21 1.426 -10.660 8.834 191 1HE2 GLN 21 2HE2 GLN 21 -0.350 -8.347 6.000 192 2HE2 GLN 21 1HE2 GLN 21 -1.230 -9.502 7.024 193 H GLN 22 H GLN 22 -0.471 -14.565 6.336 194 HA GLN 22 HA GLN 22 1.657 -16.216 5.560 195 1HB GLN 22 1HB GLN 22 0.202 -17.973 5.903 196 2HB GLN 22 2HB GLN 22 -0.553 -16.715 6.877 197 1HG GLN 22 1HG GLN 22 -2.198 -16.330 4.989 198 2HG GLN 22 2HG GLN 22 -1.417 -17.607 4.079 199 1HE2 GLN 22 2HE2 GLN 22 -3.720 -18.605 7.303 200 2HE2 GLN 22 1HE2 GLN 22 -3.223 -16.921 7.070 201 H ILE 23 H ILE 23 -0.983 -14.818 3.725 202 HA ILE 23 HA ILE 23 -0.695 -16.334 1.320 203 HB ILE 23 HB ILE 23 -1.887 -13.565 1.555 204 1HG1 ILE 23 1HG1 ILE 23 -2.865 -14.992 3.367 205 2HG1 ILE 23 2HG1 ILE 23 -3.972 -14.484 2.154 206 1HG2 ILE 23 2HG2 ILE 23 -1.566 -14.431 -0.707 207 2HG2 ILE 23 3HG2 ILE 23 -2.417 -15.912 -0.298 208 3HG2 ILE 23 1HG2 ILE 23 -3.289 -14.360 -0.294 209 1HD1 ILE 23 3HD1 ILE 23 -2.685 -17.238 2.098 210 2HD1 ILE 23 1HD1 ILE 23 -4.245 -16.869 2.859 211 3HD1 ILE 23 2HD1 ILE 23 -4.050 -16.658 1.113 212 H LEU 24 H LEU 24 0.336 -13.134 2.489 213 HA LEU 24 HA LEU 24 1.569 -12.301 0.064 214 1HB LEU 24 1HB LEU 24 1.958 -11.488 2.997 215 2HB LEU 24 2HB LEU 24 2.755 -10.660 1.669 216 HG LEU 24 HG LEU 24 -0.242 -10.932 1.951 217 1HD1 LEU 24 1HD1 LEU 24 0.766 -9.487 3.693 218 2HD1 LEU 24 2HD1 LEU 24 1.540 -8.507 2.423 219 3HD1 LEU 24 3HD1 LEU 24 -0.227 -8.590 2.538 220 1HD2 LEU 24 2HD2 LEU 24 0.997 -10.363 -0.464 221 2HD2 LEU 24 3HD2 LEU 24 -0.593 -9.786 0.053 222 3HD2 LEU 24 1HD2 LEU 24 0.817 -8.761 0.254 223 H PHE 25 H PHE 25 2.965 -13.838 3.001 224 HA PHE 25 HA PHE 25 5.620 -13.979 2.026 225 1HB PHE 25 1HB PHE 25 4.136 -15.813 3.942 226 2HB PHE 25 2HB PHE 25 5.854 -15.915 3.603 227 HD1 PHE 25 1HD PHE 25 7.235 -13.651 3.839 228 HD2 PHE 25 2HD PHE 25 3.660 -14.694 5.988 229 HE1 PHE 25 1HE PHE 25 7.814 -12.032 5.636 230 HE2 PHE 25 2HE PHE 25 4.227 -13.035 7.731 231 HZ PHE 25 HZ PHE 25 6.222 -11.581 7.466 232 H GLN 26 H GLN 26 2.996 -16.516 1.757 233 HA GLN 26 HA GLN 26 4.707 -18.262 0.297 234 1HB GLN 26 1HB GLN 26 2.772 -19.487 -0.416 235 2HB GLN 26 2HB GLN 26 2.593 -19.050 1.289 236 1HG GLN 26 1HG GLN 26 1.095 -17.307 0.756 237 2HG GLN 26 2HG GLN 26 1.341 -17.470 -0.996 238 1HE2 GLN 26 2HE2 GLN 26 -1.778 -19.037 -0.914 239 2HE2 GLN 26 1HE2 GLN 26 -1.032 -17.468 -0.917 240 H ALA 27 H ALA 27 2.693 -15.509 -0.777 241 HA ALA 27 HA ALA 27 2.977 -16.032 -3.557 242 1HB ALA 27 3HB ALA 27 1.253 -14.556 -2.565 243 2HB ALA 27 1HB ALA 27 2.521 -13.355 -2.210 244 3HB ALA 27 2HB ALA 27 2.149 -13.818 -3.897 245 H TYR 28 H TYR 28 4.870 -13.993 -1.302 246 HA TYR 28 HA TYR 28 6.851 -13.037 -3.079 247 1HB TYR 28 1HB TYR 28 6.409 -12.679 -0.471 248 2HB TYR 28 2HB TYR 28 7.571 -13.987 -0.295 249 HD1 TYR 28 2HD TYR 28 7.032 -10.623 -1.857 250 HD2 TYR 28 1HD TYR 28 9.916 -13.423 -0.304 251 HE1 TYR 28 2HE TYR 28 8.818 -8.945 -2.159 252 HE2 TYR 28 1HE TYR 28 11.672 -11.681 -0.455 253 HH TYR 28 HH TYR 28 11.048 -8.401 -1.773 254 H GLU 29 H GLU 29 6.633 -16.109 -1.270 255 HA GLU 29 HA GLU 29 9.052 -17.157 -2.226 256 1HB GLU 29 1HB GLU 29 7.564 -17.932 -0.271 257 2HB GLU 29 2HB GLU 29 6.691 -18.891 -1.459 258 1HG GLU 29 1HG GLU 29 8.303 -20.476 -1.363 259 2HG GLU 29 2HG GLU 29 9.508 -19.333 -1.910 260 H ARG 30 H ARG 30 5.900 -16.986 -3.834 261 HA ARG 30 HA ARG 30 6.659 -18.920 -5.897 262 1HB ARG 30 1HB ARG 30 4.535 -16.744 -5.951 263 2HB ARG 30 2HB ARG 30 4.759 -17.992 -7.170 264 1HG ARG 30 1HG ARG 30 4.143 -19.755 -5.681 265 2HG ARG 30 2HG ARG 30 4.244 -18.690 -4.268 266 1HD ARG 30 1HD ARG 30 2.463 -17.250 -5.281 267 2HD ARG 30 2HD ARG 30 2.257 -18.487 -6.539 268 HE ARG 30 HE ARG 30 1.956 -19.952 -4.304 269 1HH1 ARG 30 2HH2 ARG 30 0.328 -17.017 -5.506 270 2HH1 ARG 30 1HH2 ARG 30 -1.097 -17.306 -4.500 271 1HH2 ARG 30 2HH1 ARG 30 -0.035 -20.358 -3.220 272 2HH2 ARG 30 1HH1 ARG 30 -1.284 -19.136 -3.230 273 H GLN 31 H GLN 31 6.353 -15.317 -5.687 274 HA GLN 31 HA GLN 31 8.758 -14.845 -7.158 275 1HB GLN 31 1HB GLN 31 7.554 -13.516 -8.982 276 2HB GLN 31 2HB GLN 31 7.629 -15.276 -9.176 277 1HG GLN 31 1HG GLN 31 5.284 -15.450 -8.369 278 2HG GLN 31 2HG GLN 31 5.212 -13.686 -8.209 279 1HE2 GLN 31 2HE2 GLN 31 3.753 -14.897 -11.542 280 2HE2 GLN 31 1HE2 GLN 31 3.473 -15.319 -9.856 281 H LYS 32 H LYS 32 9.245 -12.533 -7.269 282 HA LYS 32 HA LYS 32 7.967 -11.040 -5.013 283 1HB LYS 32 1HB LYS 32 10.580 -10.644 -6.547 284 2HB LYS 32 2HB LYS 32 9.847 -9.457 -5.472 285 1HG LYS 32 1HG LYS 32 11.108 -10.291 -3.903 286 2HG LYS 32 2HG LYS 32 9.858 -11.530 -3.741 287 1HD LYS 32 1HD LYS 32 12.251 -11.931 -5.592 288 2HD LYS 32 2HD LYS 32 12.417 -12.119 -3.841 289 1HE LYS 32 1HE LYS 32 10.600 -13.784 -3.784 290 2HE LYS 32 2HE LYS 32 10.437 -13.683 -5.550 291 1HZ LYS 32 2HZ LYS 32 12.695 -14.452 -5.731 292 2HZ LYS 32 3HZ LYS 32 12.798 -14.624 -4.084 293 3HZ LYS 32 1HZ LYS 32 11.727 -15.523 -4.936 294 H ASN 33 H ASN 33 8.502 -11.030 -8.516 295 HA ASN 33 HA ASN 33 7.103 -8.430 -8.790 296 1HB ASN 33 1HB ASN 33 8.709 -10.164 -10.636 297 2HB ASN 33 2HB ASN 33 7.389 -9.222 -11.324 298 1HD2 ASN 33 2HD2 ASN 33 10.717 -7.215 -10.115 299 2HD2 ASN 33 1HD2 ASN 33 10.625 -8.961 -9.923 300 HA PRO 34 HA PRO 34 3.397 -11.040 -9.068 301 1HB PRO 34 1HB PRO 34 1.474 -9.115 -9.075 302 2HB PRO 34 2HB PRO 34 2.423 -9.521 -7.622 303 1HG PRO 34 1HG PRO 34 2.932 -7.260 -9.576 304 2HG PRO 34 2HG PRO 34 2.839 -7.153 -7.794 305 1HD PRO 34 1HD PRO 34 5.209 -7.360 -9.112 306 2HD PRO 34 2HD PRO 34 4.961 -8.191 -7.540 307 H SER 35 H SER 35 4.408 -11.563 -11.157 308 HA SER 35 HA SER 35 4.397 -9.815 -13.281 309 1HB SER 35 1HB SER 35 4.650 -12.840 -13.429 310 2HB SER 35 2HB SER 35 5.271 -11.646 -14.588 311 HG SER 35 HG SER 35 6.052 -12.005 -11.858 312 H LYS 36 H LYS 36 1.745 -11.908 -12.407 313 HA LYS 36 HA LYS 36 -0.151 -10.625 -13.919 314 1HB LYS 36 1HB LYS 36 -0.727 -12.549 -15.496 315 2HB LYS 36 2HB LYS 36 0.626 -11.516 -15.979 316 1HG LYS 36 1HG LYS 36 2.240 -13.094 -15.666 317 2HG LYS 36 2HG LYS 36 1.320 -14.103 -14.577 318 1HD LYS 36 1HD LYS 36 0.646 -13.699 -17.529 319 2HD LYS 36 2HD LYS 36 1.688 -14.995 -16.926 320 1HE LYS 36 1HE LYS 36 -0.151 -15.874 -15.516 321 2HE LYS 36 2HE LYS 36 -1.259 -14.621 -16.131 322 1HZ LYS 36 3HZ LYS 36 -0.981 -15.612 -18.329 323 2HZ LYS 36 1HZ LYS 36 -0.033 -16.806 -17.686 324 3HZ LYS 36 2HZ LYS 36 -1.598 -16.664 -17.235 325 H GLU 37 H GLU 37 -0.569 -13.983 -14.009 326 HA GLU 37 HA GLU 37 -2.827 -14.308 -12.687 327 1HB GLU 37 1HB GLU 37 -1.403 -16.117 -13.725 328 2HB GLU 37 2HB GLU 37 -0.324 -16.027 -12.358 329 1HG GLU 37 1HG GLU 37 -2.995 -16.499 -11.345 330 2HG GLU 37 2HG GLU 37 -2.705 -17.609 -12.682 331 H GLU 38 H GLU 38 0.301 -14.487 -10.991 332 HA GLU 38 HA GLU 38 -0.358 -14.885 -8.478 333 1HB GLU 38 1HB GLU 38 1.913 -14.049 -9.673 334 2HB GLU 38 2HB GLU 38 1.510 -12.538 -8.860 335 1HG GLU 38 1HG GLU 38 2.936 -13.836 -7.386 336 2HG GLU 38 2HG GLU 38 1.302 -13.871 -6.699 337 H ARG 39 H ARG 39 -0.788 -11.705 -10.035 338 HA ARG 39 HA ARG 39 -1.407 -10.330 -7.640 339 1HB ARG 39 1HB ARG 39 -0.822 -9.231 -9.881 340 2HB ARG 39 2HB ARG 39 -2.297 -9.899 -10.581 341 1HG ARG 39 1HG ARG 39 -3.602 -8.459 -8.867 342 2HG ARG 39 2HG ARG 39 -2.048 -7.664 -8.576 343 1HD ARG 39 1HD ARG 39 -2.889 -6.306 -10.220 344 2HD ARG 39 2HD ARG 39 -1.992 -7.432 -11.231 345 HE ARG 39 HE ARG 39 -4.188 -8.702 -11.538 346 1HH1 ARG 39 2HH2 ARG 39 -4.219 -5.168 -11.017 347 2HH1 ARG 39 1HH2 ARG 39 -5.960 -5.189 -10.951 348 1HH2 ARG 39 2HH1 ARG 39 -6.463 -8.350 -12.177 349 2HH2 ARG 39 1HH1 ARG 39 -7.179 -6.860 -11.633 350 H GLU 40 H GLU 40 -3.565 -11.423 -10.234 351 HA GLU 40 HA GLU 40 -6.043 -11.049 -9.137 352 1HB GLU 40 1HB GLU 40 -4.785 -12.661 -11.186 353 2HB GLU 40 2HB GLU 40 -6.145 -13.551 -10.473 354 1HG GLU 40 1HG GLU 40 -7.043 -12.403 -12.304 355 2HG GLU 40 2HG GLU 40 -7.565 -11.456 -10.903 356 H THR 41 H THR 41 -4.085 -13.938 -9.041 357 HA THR 41 HA THR 41 -5.407 -15.654 -7.327 358 HB THR 41 HB THR 41 -2.661 -15.205 -8.315 359 HG1 THR 41 1HG THR 41 -2.879 -17.236 -8.912 360 1HG2 THR 41 2HG2 THR 41 -2.915 -16.599 -5.679 361 2HG2 THR 41 3HG2 THR 41 -1.582 -16.804 -6.859 362 3HG2 THR 41 1HG2 THR 41 -1.850 -15.240 -6.126 363 H LEU 42 H LEU 42 -3.010 -13.120 -6.403 364 HA LEU 42 HA LEU 42 -3.009 -13.911 -3.685 365 1HB LEU 42 1HB LEU 42 -1.541 -12.069 -5.169 366 2HB LEU 42 2HB LEU 42 -2.455 -11.005 -4.134 367 HG LEU 42 HG LEU 42 -0.859 -13.406 -3.138 368 1HD1 LEU 42 2HD1 LEU 42 0.004 -10.512 -3.468 369 2HD1 LEU 42 3HD1 LEU 42 0.936 -11.742 -2.606 370 3HD1 LEU 42 1HD1 LEU 42 0.643 -11.919 -4.352 371 1HD2 LEU 42 2HD2 LEU 42 -2.517 -12.395 -1.515 372 2HD2 LEU 42 3HD2 LEU 42 -0.831 -12.233 -0.989 373 3HD2 LEU 42 1HD2 LEU 42 -1.667 -10.845 -1.699 374 H VAL 43 H VAL 43 -4.917 -11.495 -5.478 375 HA VAL 43 HA VAL 43 -6.243 -10.463 -3.126 376 HB VAL 43 HB VAL 43 -7.163 -10.334 -6.026 377 1HG1 VAL 43 2HG1 VAL 43 -7.864 -8.802 -3.428 378 2HG1 VAL 43 3HG1 VAL 43 -8.451 -8.366 -5.039 379 3HG1 VAL 43 1HG1 VAL 43 -8.960 -9.893 -4.294 380 1HG2 VAL 43 1HG2 VAL 43 -5.443 -8.556 -4.221 381 2HG2 VAL 43 2HG2 VAL 43 -5.019 -9.227 -5.810 382 3HG2 VAL 43 3HG2 VAL 43 -6.265 -7.981 -5.670 383 H GLU 44 H GLU 44 -7.356 -12.973 -5.474 384 HA GLU 44 HA GLU 44 -9.677 -13.716 -4.045 385 1HB GLU 44 1HB GLU 44 -9.423 -14.638 -6.184 386 2HB GLU 44 2HB GLU 44 -7.749 -15.135 -5.879 387 1HG GLU 44 1HG GLU 44 -9.336 -17.023 -6.132 388 2HG GLU 44 2HG GLU 44 -8.406 -17.055 -4.644 389 H GLU 45 H GLU 45 -6.513 -15.334 -3.866 390 HA GLU 45 HA GLU 45 -7.073 -17.146 -1.902 391 1HB GLU 45 1HB GLU 45 -4.679 -16.112 -3.136 392 2HB GLU 45 2HB GLU 45 -4.385 -16.399 -1.427 393 1HG GLU 45 1HG GLU 45 -5.380 -18.707 -1.751 394 2HG GLU 45 2HG GLU 45 -5.383 -18.379 -3.485 395 H CYS 46 H CYS 46 -5.980 -13.783 -1.551 396 HA CYS 46 HA CYS 46 -5.688 -13.829 1.296 397 1HB CYS 46 1HB CYS 46 -4.810 -11.956 -0.343 398 2HB CYS 46 2HB CYS 46 -6.416 -11.261 -0.186 399 HG CYS 46 HG CYS 46 -6.376 -11.010 2.436 400 H ASN 47 H ASN 47 -8.236 -12.512 -0.768 401 HA ASN 47 HA ASN 47 -10.030 -11.640 1.187 402 1HB ASN 47 1HB ASN 47 -10.234 -12.506 -1.704 403 2HB ASN 47 2HB ASN 47 -11.719 -12.342 -0.814 404 1HD2 ASN 47 2HD2 ASN 47 -11.407 -8.782 -0.345 405 2HD2 ASN 47 1HD2 ASN 47 -11.968 -10.214 0.513 406 H ARG 48 H ARG 48 -9.845 -14.833 -0.396 407 HA ARG 48 HA ARG 48 -12.013 -16.077 0.885 408 1HB ARG 48 1HB ARG 48 -10.670 -16.962 -1.042 409 2HB ARG 48 2HB ARG 48 -9.338 -17.299 0.062 410 1HG ARG 48 1HG ARG 48 -10.997 -18.779 1.398 411 2HG ARG 48 2HG ARG 48 -12.147 -18.482 0.086 412 1HD ARG 48 1HD ARG 48 -11.108 -20.547 -0.348 413 2HD ARG 48 2HD ARG 48 -10.432 -19.405 -1.529 414 HE ARG 48 HE ARG 48 -8.583 -19.299 0.506 415 1HH1 ARG 48 2HH2 ARG 48 -9.940 -21.961 -1.437 416 2HH1 ARG 48 1HH2 ARG 48 -8.419 -22.820 -1.434 417 1HH2 ARG 48 2HH1 ARG 48 -6.821 -20.532 0.712 418 2HH2 ARG 48 1HH1 ARG 48 -6.709 -22.197 0.115 419 H ALA 49 H ALA 49 -8.527 -16.123 1.788 420 HA ALA 49 HA ALA 49 -8.899 -17.472 4.296 421 1HB ALA 49 2HB ALA 49 -6.688 -15.585 3.365 422 2HB ALA 49 3HB ALA 49 -6.635 -16.583 4.833 423 3HB ALA 49 1HB ALA 49 -6.704 -17.359 3.245 424 H GLU 50 H GLU 50 -9.409 -14.113 3.335 425 HA GLU 50 HA GLU 50 -9.146 -13.158 6.040 426 1HB GLU 50 1HB GLU 50 -8.912 -11.981 3.567 427 2HB GLU 50 2HB GLU 50 -10.484 -11.417 4.028 428 1HG GLU 50 1HG GLU 50 -9.548 -10.157 5.843 429 2HG GLU 50 2HG GLU 50 -8.144 -11.220 5.982 430 H CYS 51 H CYS 51 -11.758 -14.172 3.845 431 HA CYS 51 HA CYS 51 -13.946 -13.279 5.358 432 1HB CYS 51 1HB CYS 51 -15.260 -14.593 4.162 433 2HB CYS 51 2HB CYS 51 -13.868 -14.687 3.071 434 HG CYS 51 HG CYS 51 -13.151 -17.043 3.868 435 H ILE 52 H ILE 52 -11.836 -16.034 5.857 436 HA ILE 52 HA ILE 52 -13.342 -17.347 7.894 437 HB ILE 52 HB ILE 52 -10.429 -17.448 7.055 438 1HG1 ILE 52 1HG1 ILE 52 -12.867 -19.135 6.310 439 2HG1 ILE 52 2HG1 ILE 52 -11.955 -18.046 5.255 440 1HG2 ILE 52 2HG2 ILE 52 -11.959 -19.391 8.822 441 2HG2 ILE 52 3HG2 ILE 52 -10.313 -19.648 8.192 442 3HG2 ILE 52 1HG2 ILE 52 -10.606 -18.335 9.309 443 1HD1 ILE 52 2HD1 ILE 52 -9.930 -19.521 5.604 444 2HD1 ILE 52 3HD1 ILE 52 -11.059 -20.706 6.327 445 3HD1 ILE 52 1HD1 ILE 52 -11.271 -20.189 4.652 446 H GLN 53 H GLN 53 -11.215 -14.605 7.911 447 HA GLN 53 HA GLN 53 -10.305 -14.521 10.569 448 1HB GLN 53 1HB GLN 53 -11.505 -12.191 9.028 449 2HB GLN 53 2HB GLN 53 -10.567 -12.072 10.495 450 1HG GLN 53 1HG GLN 53 -9.014 -13.582 8.552 451 2HG GLN 53 2HG GLN 53 -9.599 -12.063 7.841 452 1HE2 GLN 53 2HE2 GLN 53 -7.689 -9.880 9.852 453 2HE2 GLN 53 1HE2 GLN 53 -8.891 -10.032 8.589 454 H ARG 54 H ARG 54 -13.611 -13.700 9.361 455 HA ARG 54 HA ARG 54 -14.596 -13.719 12.203 456 1HB ARG 54 1HB ARG 54 -15.115 -11.732 9.983 457 2HB ARG 54 2HB ARG 54 -16.261 -12.000 11.304 458 1HG ARG 54 1HG ARG 54 -14.642 -11.351 12.982 459 2HG ARG 54 2HG ARG 54 -13.326 -11.297 11.795 460 1HD ARG 54 1HD ARG 54 -14.313 -9.004 12.450 461 2HD ARG 54 2HD ARG 54 -14.148 -9.370 10.752 462 HE ARG 54 HE ARG 54 -16.375 -9.455 10.395 463 1HH1 ARG 54 2HH2 ARG 54 -15.876 -9.185 13.928 464 2HH1 ARG 54 1HH2 ARG 54 -17.569 -9.480 14.257 465 1HH2 ARG 54 2HH1 ARG 54 -18.585 -9.560 10.867 466 2HH2 ARG 54 1HH1 ARG 54 -19.155 -9.386 12.495 467 H GLY 55 H GLY 55 -15.341 -14.142 8.736 468 1HA GLY 55 1HA GLY 55 -16.365 -16.518 8.645 469 2HA GLY 55 2HA GLY 55 -17.790 -15.684 9.295 470 H VAL 56 H VAL 56 -18.218 -13.522 8.118 471 HA VAL 56 HA VAL 56 -19.189 -12.602 6.273 472 HB VAL 56 HB VAL 56 -16.374 -13.114 5.650 473 1HG1 VAL 56 2HG1 VAL 56 -17.255 -14.110 3.566 474 2HG1 VAL 56 3HG1 VAL 56 -18.024 -12.546 3.197 475 3HG1 VAL 56 1HG1 VAL 56 -16.277 -12.651 3.382 476 1HG2 VAL 56 1HG2 VAL 56 -18.216 -10.791 5.049 477 2HG2 VAL 56 2HG2 VAL 56 -17.154 -10.992 6.463 478 3HG2 VAL 56 3HG2 VAL 56 -16.456 -10.818 4.848 479 H SER 57 H SER 57 -20.068 -13.101 3.882 480 HA SER 57 HA SER 57 -20.997 -15.891 3.778 481 1HB SER 57 1HB SER 57 -21.869 -13.431 2.590 482 2HB SER 57 2HB SER 57 -21.441 -14.556 1.302 483 HG SER 57 HG SER 57 -23.225 -15.013 3.448 484 HA PRO 58 HA PRO 58 -16.975 -16.819 2.128 485 1HB PRO 58 1HB PRO 58 -17.448 -19.206 0.807 486 2HB PRO 58 2HB PRO 58 -17.297 -19.039 2.578 487 1HG PRO 58 1HG PRO 58 -19.834 -19.126 0.923 488 2HG PRO 58 2HG PRO 58 -19.478 -20.028 2.416 489 1HD PRO 58 1HD PRO 58 -20.930 -17.749 2.471 490 2HD PRO 58 2HD PRO 58 -19.729 -18.057 3.759 491 H SER 59 H SER 59 -19.746 -17.168 -0.094 492 HA SER 59 HA SER 59 -18.141 -16.656 -2.486 493 1HB SER 59 1HB SER 59 -20.583 -16.795 -3.427 494 2HB SER 59 2HB SER 59 -19.866 -18.252 -2.721 495 HG SER 59 HG SER 59 -22.103 -17.252 -1.964 496 H GLN 60 H GLN 60 -18.675 -14.554 -0.182 497 HA GLN 60 HA GLN 60 -19.143 -12.286 -2.010 498 1HB GLN 60 1HB GLN 60 -21.366 -13.004 -0.870 499 2HB GLN 60 2HB GLN 60 -20.574 -12.580 0.650 500 1HG GLN 60 1HG GLN 60 -20.153 -10.245 -0.556 501 2HG GLN 60 2HG GLN 60 -21.464 -10.780 -1.611 502 1HE2 GLN 60 2HE2 GLN 60 -23.874 -10.846 1.176 503 2HE2 GLN 60 1HE2 GLN 60 -23.452 -11.702 -0.296 504 H ALA 61 H ALA 61 -16.693 -13.131 -1.220 505 HA ALA 61 HA ALA 61 -15.830 -12.372 1.313 506 1HB ALA 61 1HB ALA 61 -14.442 -13.672 -0.240 507 2HB ALA 61 2HB ALA 61 -14.156 -12.205 -1.206 508 3HB ALA 61 3HB ALA 61 -13.592 -12.305 0.478 509 H GLN 62 H GLN 62 -16.632 -10.317 -1.367 510 HA GLN 62 HA GLN 62 -15.601 -7.871 -0.688 511 1HB GLN 62 1HB GLN 62 -18.059 -8.797 -2.018 512 2HB GLN 62 2HB GLN 62 -18.257 -7.210 -1.285 513 1HG GLN 62 1HG GLN 62 -15.905 -7.897 -3.100 514 2HG GLN 62 2HG GLN 62 -17.436 -7.245 -3.683 515 1HE2 GLN 62 2HE2 GLN 62 -15.956 -4.405 -1.231 516 2HE2 GLN 62 1HE2 GLN 62 -16.571 -5.882 -0.525 517 H GLY 63 H GLY 63 -18.047 -9.610 1.167 518 1HA GLY 63 1HA GLY 63 -19.194 -7.623 2.736 519 2HA GLY 63 2HA GLY 63 -18.844 -9.269 3.277 520 H LEU 64 H LEU 64 -15.887 -9.035 3.037 521 HA LEU 64 HA LEU 64 -15.472 -7.733 5.622 522 1HB LEU 64 1HB LEU 64 -13.289 -8.646 5.629 523 2HB LEU 64 2HB LEU 64 -14.499 -9.848 5.335 524 HG LEU 64 HG LEU 64 -13.688 -8.952 2.770 525 1HD1 LEU 64 1HD1 LEU 64 -11.313 -9.438 4.568 526 2HD1 LEU 64 2HD1 LEU 64 -11.253 -9.440 2.789 527 3HD1 LEU 64 3HD1 LEU 64 -11.706 -7.974 3.659 528 1HD2 LEU 64 2HD2 LEU 64 -14.376 -11.275 3.409 529 2HD2 LEU 64 3HD2 LEU 64 -12.814 -11.280 2.573 530 3HD2 LEU 64 1HD2 LEU 64 -12.879 -11.424 4.338 531 H GLY 65 H GLY 65 -16.045 -6.072 3.121 532 1HA GLY 65 1HA GLY 65 -14.510 -4.398 2.032 533 2HA GLY 65 2HA GLY 65 -15.769 -3.784 3.059 534 H SER 66 H SER 66 -14.534 -4.215 5.706 535 HA SER 66 HA SER 66 -12.812 -1.883 5.702 536 1HB SER 66 1HB SER 66 -14.258 -3.572 7.640 537 2HB SER 66 2HB SER 66 -12.661 -3.138 8.179 538 HG SER 66 HG SER 66 -13.183 -0.958 7.788 539 H ASN 67 H ASN 67 -12.352 -5.403 6.070 540 HA ASN 67 HA ASN 67 -9.450 -5.239 6.565 541 1HB ASN 67 1HB ASN 67 -11.361 -7.471 5.802 542 2HB ASN 67 2HB ASN 67 -9.607 -7.669 5.808 543 1HD2 ASN 67 2HD2 ASN 67 -11.458 -7.077 9.469 544 2HD2 ASN 67 1HD2 ASN 67 -12.104 -6.285 8.053 545 H LEU 68 H LEU 68 -11.676 -5.864 3.948 546 HA LEU 68 HA LEU 68 -10.642 -6.960 2.018 547 1HB LEU 68 1HB LEU 68 -12.765 -5.745 2.019 548 2HB LEU 68 2HB LEU 68 -11.934 -4.312 1.386 549 HG LEU 68 HG LEU 68 -11.158 -6.512 -0.284 550 1HD1 LEU 68 2HD1 LEU 68 -12.990 -7.792 0.774 551 2HD1 LEU 68 3HD1 LEU 68 -14.127 -6.525 0.284 552 3HD1 LEU 68 1HD1 LEU 68 -13.273 -7.490 -0.954 553 1HD2 LEU 68 1HD2 LEU 68 -13.288 -4.382 -0.739 554 2HD2 LEU 68 2HD2 LEU 68 -11.539 -4.178 -0.999 555 3HD2 LEU 68 3HD2 LEU 68 -12.449 -5.329 -1.995 556 H VAL 69 H VAL 69 -9.027 -7.133 0.834 557 HA VAL 69 HA VAL 69 -7.001 -5.131 0.307 558 HB VAL 69 HB VAL 69 -7.362 -7.933 -0.850 559 1HG1 VAL 69 2HG1 VAL 69 -4.892 -6.250 -0.304 560 2HG1 VAL 69 3HG1 VAL 69 -4.914 -7.885 -0.968 561 3HG1 VAL 69 1HG1 VAL 69 -5.575 -6.585 -1.922 562 1HG2 VAL 69 3HG2 VAL 69 -6.120 -7.117 1.817 563 2HG2 VAL 69 1HG2 VAL 69 -7.468 -8.247 1.563 564 3HG2 VAL 69 2HG2 VAL 69 -5.860 -8.678 1.017 565 H THR 70 H THR 70 -6.400 -4.605 -1.910 566 HA THR 70 HA THR 70 -8.122 -5.323 -4.127 567 HB THR 70 HB THR 70 -8.142 -2.996 -4.993 568 HG1 THR 70 1HG THR 70 -7.570 -2.329 -2.273 569 1HG2 THR 70 1HG2 THR 70 -10.171 -3.922 -3.856 570 2HG2 THR 70 2HG2 THR 70 -9.636 -3.186 -2.333 571 3HG2 THR 70 3HG2 THR 70 -10.039 -2.158 -3.717 572 H GLU 71 H GLU 71 -6.795 -4.737 -6.225 573 HA GLU 71 HA GLU 71 -4.381 -6.022 -5.963 574 1HB GLU 71 1HB GLU 71 -5.330 -3.966 -8.066 575 2HB GLU 71 2HB GLU 71 -3.925 -5.033 -8.245 576 1HG GLU 71 1HG GLU 71 -5.237 -6.651 -8.986 577 2HG GLU 71 2HG GLU 71 -5.930 -6.809 -7.403 578 H VAL 72 H VAL 72 -4.933 -2.513 -5.927 579 HA VAL 72 HA VAL 72 -2.232 -1.705 -6.150 580 HB VAL 72 HB VAL 72 -4.164 -0.201 -6.380 581 1HG1 VAL 72 2HG1 VAL 72 -5.606 -1.004 -4.571 582 2HG1 VAL 72 3HG1 VAL 72 -4.477 -0.375 -3.350 583 3HG1 VAL 72 1HG1 VAL 72 -5.334 0.734 -4.437 584 1HG2 VAL 72 2HG2 VAL 72 -1.897 0.730 -5.866 585 2HG2 VAL 72 3HG2 VAL 72 -3.233 1.767 -5.334 586 3HG2 VAL 72 1HG2 VAL 72 -2.351 0.793 -4.146 587 H ARG 73 H ARG 73 -3.930 -3.102 -3.378 588 HA ARG 73 HA ARG 73 -1.925 -2.450 -1.398 589 1HB ARG 73 1HB ARG 73 -3.796 -4.852 -1.655 590 2HB ARG 73 2HB ARG 73 -2.843 -4.517 -0.258 591 1HG ARG 73 1HG ARG 73 -5.118 -2.789 -1.347 592 2HG ARG 73 2HG ARG 73 -5.105 -3.747 0.135 593 1HD ARG 73 1HD ARG 73 -3.660 -1.185 -0.483 594 2HD ARG 73 2HD ARG 73 -4.731 -1.550 0.873 595 HE ARG 73 HE ARG 73 -2.566 -3.287 1.141 596 1HH1 ARG 73 2HH2 ARG 73 -3.128 0.219 1.328 597 2HH1 ARG 73 1HH2 ARG 73 -2.086 0.345 2.739 598 1HH2 ARG 73 2HH1 ARG 73 -0.804 -2.920 2.541 599 2HH2 ARG 73 1HH1 ARG 73 -0.453 -1.315 3.115 600 H VAL 74 H VAL 74 -2.454 -5.224 -3.585 601 HA VAL 74 HA VAL 74 -0.244 -6.759 -2.745 602 HB VAL 74 HB VAL 74 -1.664 -6.619 -5.467 603 1HG1 VAL 74 1HG1 VAL 74 0.388 -8.518 -4.384 604 2HG1 VAL 74 2HG1 VAL 74 -0.719 -8.952 -5.711 605 3HG1 VAL 74 3HG1 VAL 74 0.421 -7.614 -5.922 606 1HG2 VAL 74 3HG2 VAL 74 -3.110 -7.303 -3.523 607 2HG2 VAL 74 1HG2 VAL 74 -2.838 -8.595 -4.700 608 3HG2 VAL 74 2HG2 VAL 74 -1.928 -8.592 -3.179 609 H TYR 75 H TYR 75 -0.646 -4.337 -5.372 610 HA TYR 75 HA TYR 75 1.969 -4.232 -6.340 611 1HB TYR 75 1HB TYR 75 -0.074 -2.895 -7.198 612 2HB TYR 75 2HB TYR 75 0.234 -1.764 -5.906 613 HD1 TYR 75 2HD TYR 75 1.876 -3.335 -8.879 614 HD2 TYR 75 1HD TYR 75 1.941 -0.094 -6.036 615 HE1 TYR 75 2HE TYR 75 3.861 -2.379 -10.009 616 HE2 TYR 75 1HE TYR 75 3.909 0.875 -7.193 617 HH TYR 75 HH TYR 75 5.445 0.608 -8.876 618 H ASN 76 H ASN 76 0.558 -2.315 -3.674 619 HA ASN 76 HA ASN 76 2.878 -0.807 -3.103 620 1HB ASN 76 1HB ASN 76 0.360 -1.421 -1.550 621 2HB ASN 76 2HB ASN 76 1.733 -0.693 -0.716 622 1HD2 ASN 76 2HD2 ASN 76 0.040 1.563 -3.733 623 2HD2 ASN 76 1HD2 ASN 76 -0.031 -0.193 -3.830 624 H TRP 77 H TRP 77 1.722 -3.852 -1.611 625 HA TRP 77 HA TRP 77 3.800 -3.896 0.353 626 1HB TRP 77 1HB TRP 77 2.612 -5.537 1.205 627 2HB TRP 77 2HB TRP 77 1.490 -5.396 -0.134 628 HD1 TRP 77 HD TRP 77 1.766 -7.196 -2.108 629 HE1 TRP 77 1HE TRP 77 2.970 -9.420 -2.345 630 HE3 TRP 77 3HE TRP 77 4.336 -7.132 2.294 631 HZ2 TRP 77 2HZ TRP 77 4.817 -11.006 -0.799 632 HZ3 TRP 77 3HZ TRP 77 5.631 -9.100 2.973 633 HH2 TRP 77 HH TRP 77 6.011 -10.995 1.396 634 H PHE 78 H PHE 78 3.487 -5.668 -2.811 635 HA PHE 78 HA PHE 78 6.042 -6.897 -2.598 636 1HB PHE 78 1HB PHE 78 4.364 -6.135 -5.023 637 2HB PHE 78 2HB PHE 78 5.941 -6.899 -5.171 638 HD1 PHE 78 2HD PHE 78 6.321 -9.031 -3.573 639 HD2 PHE 78 1HD PHE 78 2.641 -7.737 -5.379 640 HE1 PHE 78 2HE PHE 78 5.417 -11.338 -3.390 641 HE2 PHE 78 1HE PHE 78 1.816 -10.088 -5.333 642 HZ PHE 78 HZ PHE 78 3.161 -11.854 -4.237 643 H ALA 79 H ALA 79 5.057 -3.820 -4.130 644 HA ALA 79 HA ALA 79 7.618 -3.030 -4.976 645 1HB ALA 79 3HB ALA 79 5.234 -1.352 -4.066 646 2HB ALA 79 1HB ALA 79 6.595 -0.718 -5.001 647 3HB ALA 79 2HB ALA 79 5.510 -1.927 -5.718 648 H ASN 80 H ASN 80 6.166 -2.892 -1.752 649 HA ASN 80 HA ASN 80 8.218 -1.149 -0.687 650 1HB ASN 80 1HB ASN 80 5.932 -1.629 0.410 651 2HB ASN 80 2HB ASN 80 6.607 -3.178 0.932 652 1HD2 ASN 80 2HD2 ASN 80 8.973 -1.486 3.203 653 2HD2 ASN 80 1HD2 ASN 80 8.878 -2.936 2.217 654 H ARG 81 H ARG 81 7.621 -4.646 -0.691 655 HA ARG 81 HA ARG 81 10.288 -5.339 0.243 656 1HB ARG 81 1HB ARG 81 8.126 -7.001 -1.087 657 2HB ARG 81 2HB ARG 81 9.566 -7.607 -0.259 658 1HG ARG 81 1HG ARG 81 8.148 -5.861 1.576 659 2HG ARG 81 2HG ARG 81 6.997 -6.978 0.840 660 1HD ARG 81 1HD ARG 81 7.927 -7.941 2.872 661 2HD ARG 81 2HD ARG 81 8.445 -8.898 1.473 662 HE ARG 81 HE ARG 81 10.318 -6.764 2.290 663 1HH1 ARG 81 2HH2 ARG 81 9.359 -10.068 3.223 664 2HH1 ARG 81 1HH2 ARG 81 10.968 -10.425 3.816 665 1HH2 ARG 81 2HH1 ARG 81 12.228 -7.228 3.117 666 2HH2 ARG 81 1HH1 ARG 81 12.749 -8.882 3.476 667 H ARG 82 H ARG 82 10.176 -3.558 -2.088 668 HA ARG 82 HA ARG 82 12.122 -5.028 -3.741 669 1HB ARG 82 1HB ARG 82 10.419 -2.616 -4.528 670 2HB ARG 82 2HB ARG 82 11.816 -3.167 -5.415 671 1HG ARG 82 1HG ARG 82 9.388 -4.934 -4.920 672 2HG ARG 82 2HG ARG 82 9.476 -3.752 -6.225 673 1HD ARG 82 1HD ARG 82 10.206 -5.694 -7.276 674 2HD ARG 82 2HD ARG 82 11.727 -4.861 -6.899 675 HE ARG 82 HE ARG 82 11.321 -6.479 -4.710 676 1HH1 ARG 82 2HH2 ARG 82 11.575 -7.027 -8.227 677 2HH1 ARG 82 1HH2 ARG 82 12.049 -8.691 -8.053 678 1HH2 ARG 82 2HH1 ARG 82 12.885 -8.120 -4.658 679 2HH2 ARG 82 1HH1 ARG 82 13.049 -9.265 -5.952 680 H LYS 83 H LYS 83 11.049 -1.727 -2.822 681 HA LYS 83 HA LYS 83 13.770 -0.954 -2.944 682 1HB LYS 83 1HB LYS 83 11.471 0.399 -3.369 683 2HB LYS 83 2HB LYS 83 11.723 0.864 -1.686 684 1HG LYS 83 1HG LYS 83 12.727 2.558 -3.036 685 2HG LYS 83 2HG LYS 83 14.072 1.614 -2.389 686 1HD LYS 83 1HD LYS 83 14.070 0.313 -4.629 687 2HD LYS 83 2HD LYS 83 12.846 1.452 -5.198 688 1HE LYS 83 1HE LYS 83 14.410 3.318 -4.945 689 2HE LYS 83 2HE LYS 83 15.604 2.267 -4.154 690 1HZ LYS 83 2HZ LYS 83 15.767 1.034 -6.258 691 2HZ LYS 83 3HZ LYS 83 14.754 2.078 -6.981 692 3HZ LYS 83 1HZ LYS 83 16.176 2.643 -6.411 693 H GLU 84 H GLU 84 11.861 -2.081 -0.298 694 HA GLU 84 HA GLU 84 13.542 -1.371 1.873 695 1HB GLU 84 1HB GLU 84 11.374 -2.509 2.090 696 2HB GLU 84 2HB GLU 84 11.998 -3.923 1.219 697 1HG GLU 84 1HG GLU 84 13.616 -4.341 3.011 698 2HG GLU 84 2HG GLU 84 13.022 -2.916 3.900 699 H GLU 85 H GLU 85 13.787 -4.015 -0.569 700 HA GLU 85 HA GLU 85 16.087 -5.213 0.802 701 1HB GLU 85 1HB GLU 85 14.582 -6.731 -0.327 702 2HB GLU 85 2HB GLU 85 14.747 -5.850 -1.848 703 1HG GLU 85 1HG GLU 85 17.068 -6.485 -2.077 704 2HG GLU 85 2HG GLU 85 17.133 -7.154 -0.457 705 H ALA 86 H ALA 86 15.422 -3.436 -2.213 706 HA ALA 86 HA ALA 86 18.055 -3.269 -3.151 707 1HB ALA 86 1HB ALA 86 15.996 -2.691 -4.431 708 2HB ALA 86 2HB ALA 86 15.877 -1.179 -3.504 709 3HB ALA 86 3HB ALA 86 17.282 -1.471 -4.551 710 H PHE 87 H PHE 87 16.377 -1.215 -0.721 711 HA PHE 87 HA PHE 87 18.641 0.473 -0.162 712 1HB PHE 87 1HB PHE 87 16.104 -0.197 1.235 713 2HB PHE 87 2HB PHE 87 17.454 -0.072 2.313 714 HD1 PHE 87 1HD PHE 87 15.883 1.833 -0.511 715 HD2 PHE 87 2HD PHE 87 18.189 1.985 3.140 716 HE1 PHE 87 1HE PHE 87 15.859 4.313 -0.584 717 HE2 PHE 87 2HE PHE 87 18.262 4.450 2.991 718 HZ PHE 87 HZ PHE 87 17.087 5.621 1.131 719 H ARG 88 H ARG 88 17.545 -2.428 1.677 720 HA ARG 88 HA ARG 88 19.683 -2.668 3.337 721 1HB ARG 88 1HB ARG 88 17.700 -3.934 3.610 722 2HB ARG 88 2HB ARG 88 17.966 -4.832 2.107 723 1HG ARG 88 1HG ARG 88 19.680 -6.132 2.988 724 2HG ARG 88 2HG ARG 88 20.042 -5.005 4.301 725 1HD ARG 88 1HD ARG 88 17.355 -6.434 4.141 726 2HD ARG 88 2HD ARG 88 18.776 -7.189 4.877 727 HE ARG 88 HE ARG 88 18.676 -4.698 6.057 728 1HH1 ARG 88 2HH2 ARG 88 16.331 -7.384 5.960 729 2HH1 ARG 88 1HH2 ARG 88 16.353 -7.539 7.722 730 1HH2 ARG 88 2HH1 ARG 88 18.449 -4.838 8.370 731 2HH2 ARG 88 1HH1 ARG 88 17.335 -6.050 9.000 732 H HIS 89 H HIS 89 19.657 -3.802 -0.030 733 HA HIS 89 HA HIS 89 22.088 -5.303 0.201 734 1HB HIS 89 1HB HIS 89 20.323 -5.656 -1.522 735 2HB HIS 89 2HB HIS 89 20.723 -4.094 -2.248 736 HD1 HIS 89 1HD HIS 89 24.037 -5.231 -1.623 737 HD2 HIS 89 2HD HIS 89 20.908 -6.449 -4.174 738 HE1 HIS 89 1HE HIS 89 25.115 -6.531 -3.540 739 H LYS 90 H LYS 90 21.379 -1.899 -0.728 740 HA LYS 90 HA LYS 90 24.057 -1.461 -1.772 741 1HB LYS 90 1HB LYS 90 22.155 -0.209 -2.581 742 2HB LYS 90 2HB LYS 90 21.849 0.507 -1.005 743 1HG LYS 90 1HG LYS 90 24.532 0.859 -2.377 744 2HG LYS 90 2HG LYS 90 23.153 1.817 -2.905 745 1HD LYS 90 1HD LYS 90 23.206 3.230 -1.166 746 2HD LYS 90 2HD LYS 90 23.368 1.952 0.002 747 1HE LYS 90 1HE LYS 90 25.937 2.197 -1.343 748 2HE LYS 90 2HE LYS 90 25.380 3.823 -0.932 749 1HZ LYS 90 1HZ LYS 90 25.577 1.592 0.983 750 2HZ LYS 90 2HZ LYS 90 26.699 2.764 0.825 751 3HZ LYS 90 3HZ LYS 90 25.225 3.169 1.351 752 H LEU 91 H LEU 91 22.963 -1.731 1.507 753 HA LEU 91 HA LEU 91 25.091 -0.248 2.555 754 1HB LEU 91 1HB LEU 91 23.366 1.310 3.808 755 2HB LEU 91 2HB LEU 91 23.739 1.651 2.153 756 HG LEU 91 HG LEU 91 21.706 0.612 1.382 757 1HD1 LEU 91 2HD1 LEU 91 21.218 0.099 4.356 758 2HD1 LEU 91 3HD1 LEU 91 19.937 0.046 3.142 759 3HD1 LEU 91 1HD1 LEU 91 21.291 -1.097 3.068 760 1HD2 LEU 91 1HD2 LEU 91 21.875 3.029 2.061 761 2HD2 LEU 91 2HD2 LEU 91 20.263 2.319 1.971 762 3HD2 LEU 91 3HD2 LEU 91 21.016 2.580 3.549 763 H ALA 92 H ALA 92 23.672 -0.027 5.220 764 HA ALA 92 HA ALA 92 23.274 -1.374 7.014 765 1HB ALA 92 3HB ALA 92 21.311 -2.163 5.711 766 2HB ALA 92 1HB ALA 92 22.288 -3.459 5.004 767 3HB ALA 92 2HB ALA 92 22.002 -3.430 6.738 768 H MET 93 H MET 93 25.803 -1.137 6.021 769 HA MET 93 HA MET 93 27.211 -3.291 7.302 770 1HB MET 93 1HB MET 93 28.526 -4.049 5.385 771 2HB MET 93 2HB MET 93 26.826 -4.461 5.175 772 1HG MET 93 1HG MET 93 26.542 -2.490 3.673 773 2HG MET 93 2HG MET 93 28.259 -2.133 3.810 774 1HE MET 93 1HE MET 93 30.167 -3.632 2.880 775 2HE MET 93 2HE MET 93 29.564 -5.121 3.653 776 3HE MET 93 3HE MET 93 29.904 -5.103 1.912 777 H ASP 94 H ASP 94 26.879 -0.562 7.694 778 HA ASP 94 HA ASP 94 29.456 0.776 7.119 779 1HB ASP 94 1HB ASP 94 28.380 1.168 5.053 780 2HB ASP 94 2HB ASP 94 26.785 1.257 5.794 781 H THR 95 H THR 95 26.014 1.447 7.923 782 HA THR 95 HA THR 95 26.871 2.458 10.609 783 HB THR 95 HB THR 95 24.443 3.175 8.930 784 HG1 THR 95 1HG THR 95 26.600 3.962 8.278 785 1HG2 THR 95 1HG2 THR 95 25.482 4.347 11.550 786 2HG2 THR 95 2HG2 THR 95 24.171 5.015 10.553 787 3HG2 THR 95 3HG2 THR 95 23.954 3.463 11.348 788 H TYR 96 H TYR 96 23.538 1.720 10.285 789 HA TYR 96 HA TYR 96 23.595 -1.025 10.884 790 1HB TYR 96 1HB TYR 96 22.747 -0.427 13.309 791 2HB TYR 96 2HB TYR 96 24.488 -0.490 12.973 792 HD1 TYR 96 2HD TYR 96 21.673 2.016 13.103 793 HD2 TYR 96 1HD TYR 96 25.888 1.244 13.604 794 HE1 TYR 96 2HE TYR 96 21.964 4.224 14.170 795 HE2 TYR 96 1HE TYR 96 26.146 3.407 14.753 796 HH TYR 96 HH TYR 96 24.975 4.954 15.964 797 H LYS 97 H LYS 97 21.363 -1.530 11.829 798 HA LYS 97 HA LYS 97 19.145 -1.387 12.037 799 1HB LYS 97 1HB LYS 97 19.588 0.966 12.832 800 2HB LYS 97 2HB LYS 97 19.262 1.519 11.179 801 1HG LYS 97 1HG LYS 97 16.995 0.198 11.506 802 2HG LYS 97 2HG LYS 97 17.361 0.361 13.220 803 1HD LYS 97 1HD LYS 97 17.129 2.574 11.119 804 2HD LYS 97 2HD LYS 97 15.942 2.248 12.361 805 1HE LYS 97 1HE LYS 97 18.836 3.122 12.983 806 2HE LYS 97 2HE LYS 97 17.521 4.250 12.710 807 1HZ LYS 97 3HZ LYS 97 16.757 2.323 14.635 808 2HZ LYS 97 1HZ LYS 97 18.105 3.108 15.121 809 3HZ LYS 97 2HZ LYS 97 16.737 3.940 14.685 810 H LEU 98 H LEU 98 20.145 0.612 9.253 811 HA LEU 98 HA LEU 98 19.465 -1.230 7.299 812 1HB LEU 98 1HB LEU 98 17.102 -0.141 8.298 813 2HB LEU 98 2HB LEU 98 17.443 1.009 7.049 814 HG LEU 98 HG LEU 98 15.943 -0.626 6.221 815 1HD1 LEU 98 1HD1 LEU 98 17.622 0.090 4.603 816 2HD1 LEU 98 2HD1 LEU 98 18.662 -1.289 5.036 817 3HD1 LEU 98 3HD1 LEU 98 17.074 -1.567 4.291 818 1HD2 LEU 98 2HD2 LEU 98 16.368 -2.416 7.833 819 2HD2 LEU 98 3HD2 LEU 98 16.383 -3.020 6.173 820 3HD2 LEU 98 1HD2 LEU 98 17.910 -2.800 7.040 821 H ASN 99 H ASN 99 21.721 0.505 7.926 822 HA ASN 99 HA ASN 99 21.981 1.869 5.433 823 1HB ASN 99 2HB ASN 99 20.826 3.439 7.454 824 2HB ASN 99 3HB ASN 99 22.531 3.883 7.496 825 1HD2 ASN 99 2HD2 ASN 99 22.452 5.145 4.045 826 2HD2 ASN 99 1HD2 ASN 99 23.513 4.428 5.262 No H/Q in entry = 826 Start of MODEL 20 1 1H MET 0 2H MET 0 -1.089 18.683 2.000 2 2H MET 0 3H MET 0 -0.094 19.448 3.021 3 3H MET 0 1H MET 0 0.512 18.259 2.043 4 HA MET 0 HA MET 0 0.278 17.310 4.202 5 1HB MET 0 2HB MET 0 -2.350 18.744 4.077 6 2HB MET 0 3HB MET 0 -2.297 17.218 4.969 7 1HG MET 0 2HG MET 0 -0.457 19.582 5.505 8 2HG MET 0 3HG MET 0 -1.956 19.230 6.358 9 1HE MET 0 3HE MET 0 0.648 19.775 7.888 10 2HE MET 0 1HE MET 0 -0.868 19.307 8.695 11 3HE MET 0 2HE MET 0 0.650 18.467 9.095 12 H ALA 1 H ALA 1 -1.989 17.131 1.422 13 HA ALA 1 HA ALA 1 -1.866 14.143 1.603 14 1HB ALA 1 3HB ALA 1 -4.233 15.901 0.862 15 2HB ALA 1 1HB ALA 1 -4.159 14.124 0.774 16 3HB ALA 1 2HB ALA 1 -4.045 14.946 2.341 17 H ARG 2 H ARG 2 -0.238 13.927 0.164 18 HA ARG 2 HA ARG 2 -0.705 14.736 -2.683 19 1HB ARG 2 1HB ARG 2 1.950 14.305 -1.273 20 2HB ARG 2 2HB ARG 2 1.704 14.745 -2.967 21 1HG ARG 2 1HG ARG 2 0.312 16.719 -1.378 22 2HG ARG 2 2HG ARG 2 1.882 16.456 -0.631 23 1HD ARG 2 1HD ARG 2 2.927 16.785 -2.922 24 2HD ARG 2 2HD ARG 2 1.341 17.202 -3.558 25 HE ARG 2 HE ARG 2 3.081 18.718 -1.681 26 1HH1 ARG 2 2HH2 ARG 2 -0.245 18.540 -2.996 27 2HH1 ARG 2 1HH2 ARG 2 -0.458 20.274 -2.809 28 1HH2 ARG 2 2HH1 ARG 2 2.707 21.008 -1.580 29 2HH2 ARG 2 1HH1 ARG 2 1.092 21.584 -1.940 30 H ILE 3 H ILE 3 0.606 13.045 -4.096 31 HA ILE 3 HA ILE 3 -0.254 10.374 -3.355 32 HB ILE 3 HB ILE 3 1.187 9.606 -5.186 33 1HG1 ILE 3 1HG1 ILE 3 1.622 12.526 -5.909 34 2HG1 ILE 3 2HG1 ILE 3 2.829 11.563 -5.050 35 1HG2 ILE 3 3HG2 ILE 3 -1.202 10.138 -5.490 36 2HG2 ILE 3 1HG2 ILE 3 -0.766 11.787 -5.979 37 3HG2 ILE 3 2HG2 ILE 3 -0.271 10.401 -6.963 38 1HD1 ILE 3 3HD1 ILE 3 2.901 9.924 -6.884 39 2HD1 ILE 3 1HD1 ILE 3 1.762 10.932 -7.803 40 3HD1 ILE 3 2HD1 ILE 3 3.355 11.564 -7.390 41 H ASP 4 H ASP 4 0.941 8.690 -2.637 42 HA ASP 4 HA ASP 4 3.722 9.143 -1.612 43 1HB ASP 4 1HB ASP 4 2.630 8.224 0.255 44 2HB ASP 4 2HB ASP 4 1.599 7.183 -0.758 45 HA PRO 5 HA PRO 5 4.067 6.492 -5.367 46 1HB PRO 5 1HB PRO 5 6.493 7.433 -6.220 47 2HB PRO 5 2HB PRO 5 4.946 8.258 -6.538 48 1HG PRO 5 1HG PRO 5 7.088 9.087 -4.650 49 2HG PRO 5 2HG PRO 5 5.852 10.047 -5.487 50 1HD PRO 5 1HD PRO 5 5.746 9.041 -2.775 51 2HD PRO 5 2HD PRO 5 4.506 9.957 -3.678 52 H THR 6 H THR 6 7.179 7.339 -3.874 53 HA THR 6 HA THR 6 7.361 4.763 -2.443 54 HB THR 6 HB THR 6 9.547 5.910 -4.256 55 HG1 THR 6 1HG THR 6 8.524 4.805 -5.691 56 1HG2 THR 6 1HG2 THR 6 9.449 3.426 -2.498 57 2HG2 THR 6 2HG2 THR 6 10.670 3.716 -3.774 58 3HG2 THR 6 3HG2 THR 6 10.596 4.766 -2.374 59 H LYS 7 H LYS 7 6.506 6.682 -0.997 60 HA LYS 7 HA LYS 7 8.901 7.821 0.323 61 1HB LYS 7 1HB LYS 7 7.207 9.476 -0.743 62 2HB LYS 7 2HB LYS 7 6.145 9.043 0.595 63 1HG LYS 7 1HG LYS 7 8.210 9.573 2.116 64 2HG LYS 7 2HG LYS 7 8.994 10.159 0.638 65 1HD LYS 7 1HD LYS 7 7.163 11.842 0.372 66 2HD LYS 7 2HD LYS 7 6.383 11.221 1.819 67 1HE LYS 7 1HE LYS 7 7.670 13.267 2.316 68 2HE LYS 7 2HE LYS 7 8.255 11.878 3.234 69 1HZ LYS 7 1HZ LYS 7 9.577 12.787 0.731 70 2HZ LYS 7 2HZ LYS 7 9.966 13.368 2.201 71 3HZ LYS 7 3HZ LYS 7 10.178 11.783 1.853 72 H LYS 8 H LYS 8 6.381 8.232 2.364 73 HA LYS 8 HA LYS 8 6.915 5.718 3.874 74 1HB LYS 8 1HB LYS 8 5.588 8.380 4.452 75 2HB LYS 8 2HB LYS 8 5.145 6.943 5.366 76 1HG LYS 8 1HG LYS 8 6.801 8.317 6.501 77 2HG LYS 8 2HG LYS 8 7.331 6.651 6.269 78 1HD LYS 8 1HD LYS 8 8.198 8.830 4.336 79 2HD LYS 8 2HD LYS 8 8.962 8.666 5.917 80 1HE LYS 8 1HE LYS 8 9.478 6.253 5.429 81 2HE LYS 8 2HE LYS 8 8.934 6.479 3.770 82 1HZ LYS 8 2HZ LYS 8 10.694 8.137 3.494 83 2HZ LYS 8 3HZ LYS 8 11.208 7.826 5.043 84 3HZ LYS 8 1HZ LYS 8 11.234 6.674 3.902 85 H GLY 9 H GLY 9 5.807 4.030 3.222 86 1HA GLY 9 1HA GLY 9 3.314 4.211 1.691 87 2HA GLY 9 2HA GLY 9 4.215 2.767 2.205 88 H ARG 10 H ARG 10 3.840 1.911 4.252 89 HA ARG 10 HA ARG 10 2.364 1.310 5.963 90 1HB ARG 10 1HB ARG 10 3.010 2.753 7.903 91 2HB ARG 10 2HB ARG 10 4.350 2.141 6.953 92 1HG ARG 10 1HG ARG 10 4.805 4.201 5.932 93 2HG ARG 10 2HG ARG 10 3.258 4.923 6.390 94 1HD ARG 10 1HD ARG 10 5.173 4.012 8.562 95 2HD ARG 10 2HD ARG 10 5.494 5.493 7.656 96 HE ARG 10 HE ARG 10 2.856 5.010 9.036 97 1HH1 ARG 10 2HH2 ARG 10 5.834 6.972 9.071 98 2HH1 ARG 10 1HH2 ARG 10 4.950 8.453 9.412 99 1HH2 ARG 10 2HH1 ARG 10 1.788 7.056 9.599 100 2HH2 ARG 10 1HH1 ARG 10 2.816 8.467 9.804 101 H ARG 11 H ARG 11 0.487 1.959 4.339 102 HA ARG 11 HA ARG 11 -0.682 4.428 4.798 103 1HB ARG 11 1HB ARG 11 -0.920 3.040 2.763 104 2HB ARG 11 2HB ARG 11 -2.119 2.036 3.614 105 1HG ARG 11 1HG ARG 11 -3.627 3.854 3.805 106 2HG ARG 11 2HG ARG 11 -2.394 5.059 3.444 107 1HD ARG 11 1HD ARG 11 -3.383 3.013 1.410 108 2HD ARG 11 2HD ARG 11 -4.086 4.617 1.575 109 HE ARG 11 HE ARG 11 -1.789 3.989 0.055 110 1HH1 ARG 11 2HH2 ARG 11 -3.142 6.557 2.099 111 2HH1 ARG 11 1HH2 ARG 11 -2.314 7.807 1.238 112 1HH2 ARG 11 2HH1 ARG 11 -0.339 5.599 -0.746 113 2HH2 ARG 11 1HH1 ARG 11 -0.509 7.228 -0.136 114 H ASN 12 H ASN 12 -2.681 5.055 5.816 115 HA ASN 12 HA ASN 12 -2.895 3.793 8.458 116 1HB ASN 12 1HB ASN 12 -4.036 5.780 9.136 117 2HB ASN 12 2HB ASN 12 -2.575 6.219 8.267 118 1HD2 ASN 12 2HD2 ASN 12 -5.902 8.020 7.128 119 2HD2 ASN 12 1HD2 ASN 12 -5.696 7.153 8.634 120 H ARG 13 H ARG 13 -5.151 4.708 5.808 121 HA ARG 13 HA ARG 13 -7.451 3.797 7.163 122 1HB ARG 13 1HB ARG 13 -8.606 3.901 5.011 123 2HB ARG 13 2HB ARG 13 -7.657 5.331 5.392 124 1HG ARG 13 1HG ARG 13 -6.886 5.226 3.303 125 2HG ARG 13 2HG ARG 13 -5.832 3.952 3.858 126 1HD ARG 13 1HD ARG 13 -6.862 3.060 1.930 127 2HD ARG 13 2HD ARG 13 -7.858 2.341 3.209 128 HE ARG 13 HE ARG 13 -9.267 4.553 2.794 129 1HH1 ARG 13 2HH2 ARG 13 -8.388 1.926 0.555 130 2HH1 ARG 13 1HH2 ARG 13 -9.005 2.722 -0.840 131 1HH2 ARG 13 2HH1 ARG 13 -10.447 5.406 0.990 132 2HH2 ARG 13 1HH1 ARG 13 -10.445 4.513 -0.511 133 H PHE 14 H PHE 14 -5.832 2.128 4.453 134 HA PHE 14 HA PHE 14 -6.922 -0.484 5.277 135 1HB PHE 14 1HB PHE 14 -6.914 -0.109 2.928 136 2HB PHE 14 2HB PHE 14 -5.275 0.548 2.957 137 HD1 PHE 14 1HD PHE 14 -3.292 -0.918 3.337 138 HD2 PHE 14 2HD PHE 14 -7.272 -2.553 2.847 139 HE1 PHE 14 1HE PHE 14 -2.338 -3.094 2.738 140 HE2 PHE 14 2HE PHE 14 -6.281 -4.772 2.411 141 HZ PHE 14 HZ PHE 14 -3.825 -5.053 2.327 142 H LYS 15 H LYS 15 -5.663 -1.956 6.347 143 HA LYS 15 HA LYS 15 -2.794 -1.400 6.845 144 1HB LYS 15 1HB LYS 15 -2.948 -2.515 8.996 145 2HB LYS 15 2HB LYS 15 -4.042 -1.166 9.021 146 1HG LYS 15 1HG LYS 15 -5.449 -3.611 8.077 147 2HG LYS 15 2HG LYS 15 -4.517 -3.951 9.519 148 1HD LYS 15 1HD LYS 15 -6.700 -3.413 10.168 149 2HD LYS 15 2HD LYS 15 -5.659 -2.099 10.710 150 1HE LYS 15 1HE LYS 15 -7.219 -1.970 8.067 151 2HE LYS 15 2HE LYS 15 -7.995 -1.613 9.604 152 1HZ LYS 15 2HZ LYS 15 -5.632 -0.156 8.609 153 2HZ LYS 15 3HZ LYS 15 -7.170 0.382 8.526 154 3HZ LYS 15 1HZ LYS 15 -6.481 0.140 9.998 155 H TRP 16 H TRP 16 -2.089 -3.915 7.687 156 HA TRP 16 HA TRP 16 -3.537 -5.914 5.983 157 1HB TRP 16 1HB TRP 16 -0.594 -5.906 6.730 158 2HB TRP 16 2HB TRP 16 -1.512 -7.265 6.104 159 HD1 TRP 16 HD TRP 16 -0.039 -3.940 5.005 160 HE1 TRP 16 1HE TRP 16 0.114 -3.843 2.462 161 HE3 TRP 16 3HE TRP 16 -2.573 -8.256 3.885 162 HZ2 TRP 16 2HZ TRP 16 -0.883 -5.368 0.204 163 HZ3 TRP 16 3HZ TRP 16 -2.716 -9.017 1.534 164 HH2 TRP 16 HH TRP 16 -2.048 -7.504 -0.312 165 H GLY 17 H GLY 17 -4.397 -7.553 7.167 166 1HA GLY 17 1HA GLY 17 -4.084 -7.539 10.134 167 2HA GLY 17 2HA GLY 17 -5.465 -8.089 9.169 168 HA PRO 18 HA PRO 18 -2.795 -11.804 10.045 169 1HB PRO 18 1HB PRO 18 -4.582 -13.375 11.354 170 2HB PRO 18 2HB PRO 18 -3.846 -11.963 12.164 171 1HG PRO 18 1HG PRO 18 -6.554 -12.117 10.817 172 2HG PRO 18 2HG PRO 18 -6.180 -11.479 12.441 173 1HD PRO 18 1HD PRO 18 -6.416 -9.904 10.183 174 2HD PRO 18 2HD PRO 18 -5.321 -9.467 11.527 175 H ALA 19 H ALA 19 -3.046 -13.981 9.283 176 HA ALA 19 HA ALA 19 -3.421 -15.677 7.960 177 1HB ALA 19 1HB ALA 19 -5.749 -15.496 8.639 178 2HB ALA 19 2HB ALA 19 -6.076 -14.451 7.227 179 3HB ALA 19 3HB ALA 19 -5.517 -16.132 6.993 180 H SER 20 H SER 20 -4.675 -12.856 6.540 181 HA SER 20 HA SER 20 -4.069 -12.680 3.938 182 1HB SER 20 1HB SER 20 -4.924 -11.029 5.881 183 2HB SER 20 2HB SER 20 -3.289 -10.407 5.804 184 HG SER 20 HG SER 20 -5.441 -10.380 3.982 185 H GLN 21 H GLN 21 -1.671 -12.318 6.610 186 HA GLN 21 HA GLN 21 0.502 -11.574 4.823 187 1HB GLN 21 1HB GLN 21 0.611 -12.543 7.706 188 2HB GLN 21 2HB GLN 21 1.935 -11.803 6.788 189 1HG GLN 21 1HG GLN 21 -0.624 -10.526 7.692 190 2HG GLN 21 2HG GLN 21 1.005 -10.129 8.223 191 1HE2 GLN 21 2HE2 GLN 21 -0.405 -8.659 4.603 192 2HE2 GLN 21 1HE2 GLN 21 -1.178 -10.030 5.345 193 H GLN 22 H GLN 22 -0.667 -14.705 5.991 194 HA GLN 22 HA GLN 22 1.734 -16.158 5.274 195 1HB GLN 22 1HB GLN 22 -1.220 -16.922 5.583 196 2HB GLN 22 2HB GLN 22 -0.023 -18.039 4.952 197 1HG GLN 22 1HG GLN 22 -0.237 -18.423 7.248 198 2HG GLN 22 2HG GLN 22 1.377 -17.810 6.843 199 1HE2 GLN 22 2HE2 GLN 22 -1.179 -15.551 9.232 200 2HE2 GLN 22 1HE2 GLN 22 -1.756 -16.884 8.221 201 H ILE 23 H ILE 23 -1.190 -15.023 3.608 202 HA ILE 23 HA ILE 23 -0.544 -16.480 1.284 203 HB ILE 23 HB ILE 23 -2.467 -14.183 1.798 204 1HG1 ILE 23 1HG1 ILE 23 -4.163 -15.886 1.212 205 2HG1 ILE 23 2HG1 ILE 23 -2.887 -17.099 1.005 206 1HG2 ILE 23 1HG2 ILE 23 -1.656 -13.964 -0.551 207 2HG2 ILE 23 2HG2 ILE 23 -2.102 -15.643 -0.852 208 3HG2 ILE 23 3HG2 ILE 23 -3.346 -14.433 -0.463 209 1HD1 ILE 23 2HD1 ILE 23 -3.542 -15.612 3.556 210 2HD1 ILE 23 3HD1 ILE 23 -4.171 -17.217 3.124 211 3HD1 ILE 23 1HD1 ILE 23 -2.433 -17.017 3.394 212 H LEU 24 H LEU 24 -0.153 -13.003 2.251 213 HA LEU 24 HA LEU 24 1.172 -12.005 0.008 214 1HB LEU 24 1HB LEU 24 1.856 -11.572 2.984 215 2HB LEU 24 2HB LEU 24 2.699 -10.758 1.693 216 HG LEU 24 HG LEU 24 -0.177 -10.336 2.510 217 1HD1 LEU 24 3HD1 LEU 24 1.737 -9.180 3.712 218 2HD1 LEU 24 1HD1 LEU 24 2.234 -8.485 2.167 219 3HD1 LEU 24 2HD1 LEU 24 0.665 -8.049 2.848 220 1HD2 LEU 24 1HD2 LEU 24 1.220 -9.880 -0.088 221 2HD2 LEU 24 2HD2 LEU 24 -0.498 -10.057 0.269 222 3HD2 LEU 24 3HD2 LEU 24 0.324 -8.503 0.537 223 H PHE 25 H PHE 25 2.683 -13.595 2.759 224 HA PHE 25 HA PHE 25 5.290 -13.744 1.855 225 1HB PHE 25 1HB PHE 25 3.618 -15.489 3.705 226 2HB PHE 25 2HB PHE 25 5.255 -15.929 3.282 227 HD1 PHE 25 1HD PHE 25 4.181 -12.331 3.813 228 HD2 PHE 25 2HD PHE 25 6.237 -15.773 5.414 229 HE1 PHE 25 1HE PHE 25 5.651 -10.849 5.110 230 HE2 PHE 25 2HE PHE 25 7.673 -14.273 6.756 231 HZ PHE 25 HZ PHE 25 7.468 -11.836 6.530 232 H GLN 26 H GLN 26 2.778 -16.345 1.448 233 HA GLN 26 HA GLN 26 4.556 -17.900 -0.063 234 1HB GLN 26 1HB GLN 26 2.797 -19.414 -0.246 235 2HB GLN 26 2HB GLN 26 2.179 -18.396 1.048 236 1HG GLN 26 1HG GLN 26 0.932 -17.103 -0.799 237 2HG GLN 26 2HG GLN 26 1.403 -18.398 -1.896 238 1HE2 GLN 26 2HE2 GLN 26 -2.085 -18.982 -0.508 239 2HE2 GLN 26 1HE2 GLN 26 -1.306 -17.687 -1.368 240 H ALA 27 H ALA 27 2.425 -15.260 -1.148 241 HA ALA 27 HA ALA 27 2.483 -15.882 -3.940 242 1HB ALA 27 2HB ALA 27 0.834 -14.421 -2.789 243 2HB ALA 27 3HB ALA 27 2.092 -13.203 -2.524 244 3HB ALA 27 1HB ALA 27 1.603 -13.628 -4.175 245 H TYR 28 H TYR 28 4.310 -13.624 -1.873 246 HA TYR 28 HA TYR 28 6.195 -12.716 -3.778 247 1HB TYR 28 1HB TYR 28 5.770 -11.861 -1.430 248 2HB TYR 28 2HB TYR 28 6.611 -13.242 -0.786 249 HD1 TYR 28 2HD TYR 28 7.264 -10.674 -3.509 250 HD2 TYR 28 1HD TYR 28 8.764 -12.692 0.005 251 HE1 TYR 28 2HE TYR 28 9.289 -9.286 -3.576 252 HE2 TYR 28 1HE TYR 28 10.837 -11.347 -0.132 253 HH TYR 28 HH TYR 28 11.997 -9.626 -1.295 254 H GLU 29 H GLU 29 6.311 -15.444 -1.496 255 HA GLU 29 HA GLU 29 8.971 -16.106 -1.988 256 1HB GLU 29 1HB GLU 29 8.728 -17.577 -0.371 257 2HB GLU 29 2HB GLU 29 7.317 -16.657 -0.067 258 1HG GLU 29 1HG GLU 29 6.121 -18.639 -1.299 259 2HG GLU 29 2HG GLU 29 7.677 -19.451 -1.165 260 H ARG 30 H ARG 30 6.004 -17.261 -3.509 261 HA ARG 30 HA ARG 30 7.298 -19.148 -5.269 262 1HB ARG 30 1HB ARG 30 4.941 -19.274 -4.616 263 2HB ARG 30 2HB ARG 30 4.609 -17.721 -5.399 264 1HG ARG 30 1HG ARG 30 5.139 -18.697 -7.612 265 2HG ARG 30 2HG ARG 30 5.625 -20.216 -6.840 266 1HD ARG 30 1HD ARG 30 3.326 -20.417 -7.737 267 2HD ARG 30 2HD ARG 30 3.360 -20.570 -5.992 268 HE ARG 30 HE ARG 30 2.248 -18.572 -5.695 269 1HH1 ARG 30 2HH2 ARG 30 3.056 -18.885 -9.147 270 2HH1 ARG 30 1HH2 ARG 30 1.777 -17.810 -9.655 271 1HH2 ARG 30 2HH1 ARG 30 0.543 -17.120 -6.433 272 2HH2 ARG 30 1HH1 ARG 30 0.258 -17.096 -8.156 273 H GLN 31 H GLN 31 5.894 -15.841 -5.865 274 HA GLN 31 HA GLN 31 7.667 -15.604 -8.275 275 1HB GLN 31 1HB GLN 31 5.338 -16.400 -8.821 276 2HB GLN 31 2HB GLN 31 4.727 -14.913 -8.115 277 1HG GLN 31 1HG GLN 31 6.304 -13.705 -9.822 278 2HG GLN 31 2HG GLN 31 6.411 -15.280 -10.622 279 1HE2 GLN 31 2HE2 GLN 31 2.814 -15.181 -11.508 280 2HE2 GLN 31 1HE2 GLN 31 4.012 -16.305 -10.997 281 H LYS 32 H LYS 32 8.934 -14.386 -6.630 282 HA LYS 32 HA LYS 32 7.889 -11.896 -5.631 283 1HB LYS 32 1HB LYS 32 10.341 -11.443 -5.059 284 2HB LYS 32 2HB LYS 32 9.530 -12.741 -4.254 285 1HG LYS 32 1HG LYS 32 11.090 -13.429 -6.733 286 2HG LYS 32 2HG LYS 32 12.005 -12.910 -5.335 287 1HD LYS 32 1HD LYS 32 10.090 -15.300 -5.366 288 2HD LYS 32 2HD LYS 32 11.838 -15.376 -5.465 289 1HE LYS 32 1HE LYS 32 10.179 -14.435 -3.073 290 2HE LYS 32 2HE LYS 32 11.043 -15.956 -3.241 291 1HZ LYS 32 2HZ LYS 32 12.328 -13.289 -3.074 292 2HZ LYS 32 3HZ LYS 32 12.158 -14.399 -1.880 293 3HZ LYS 32 1HZ LYS 32 13.117 -14.750 -3.114 294 H ASN 33 H ASN 33 7.672 -12.181 -8.533 295 HA ASN 33 HA ASN 33 8.519 -9.445 -9.178 296 1HB ASN 33 1HB ASN 33 9.133 -11.864 -10.904 297 2HB ASN 33 2HB ASN 33 8.789 -10.274 -11.589 298 1HD2 ASN 33 2HD2 ASN 33 12.401 -10.920 -9.790 299 2HD2 ASN 33 1HD2 ASN 33 11.166 -12.158 -9.860 300 HA PRO 34 HA PRO 34 4.247 -10.908 -9.098 301 1HB PRO 34 1HB PRO 34 2.936 -8.625 -8.321 302 2HB PRO 34 2HB PRO 34 3.992 -9.578 -7.252 303 1HG PRO 34 1HG PRO 34 4.777 -7.110 -8.832 304 2HG PRO 34 2HG PRO 34 4.972 -7.408 -7.079 305 1HD PRO 34 1HD PRO 34 6.988 -7.898 -8.796 306 2HD PRO 34 2HD PRO 34 6.666 -9.041 -7.453 307 H SER 35 H SER 35 3.700 -11.429 -11.187 308 HA SER 35 HA SER 35 3.650 -9.366 -13.278 309 1HB SER 35 1HB SER 35 3.281 -11.249 -14.800 310 2HB SER 35 2HB SER 35 4.705 -11.486 -13.772 311 HG SER 35 HG SER 35 3.547 -12.934 -12.529 312 H LYS 36 H LYS 36 1.347 -12.005 -12.859 313 HA LYS 36 HA LYS 36 -0.941 -10.124 -12.841 314 1HB LYS 36 1HB LYS 36 -0.334 -10.433 -15.195 315 2HB LYS 36 2HB LYS 36 -0.261 -12.169 -15.018 316 1HG LYS 36 1HG LYS 36 -2.337 -11.134 -16.186 317 2HG LYS 36 2HG LYS 36 -2.571 -12.444 -15.045 318 1HD LYS 36 1HD LYS 36 -4.278 -10.683 -14.790 319 2HD LYS 36 2HD LYS 36 -3.368 -10.995 -13.325 320 1HE LYS 36 1HE LYS 36 -1.871 -8.900 -14.359 321 2HE LYS 36 2HE LYS 36 -3.434 -8.537 -15.072 322 1HZ LYS 36 2HZ LYS 36 -3.389 -9.162 -12.207 323 2HZ LYS 36 3HZ LYS 36 -2.851 -7.667 -12.693 324 3HZ LYS 36 1HZ LYS 36 -4.359 -8.220 -13.014 325 H GLU 37 H GLU 37 -0.637 -13.544 -13.626 326 HA GLU 37 HA GLU 37 -2.732 -14.706 -12.337 327 1HB GLU 37 1HB GLU 37 -1.304 -15.960 -13.718 328 2HB GLU 37 2HB GLU 37 0.157 -15.542 -12.821 329 1HG GLU 37 1HG GLU 37 -2.035 -17.138 -11.477 330 2HG GLU 37 2HG GLU 37 -0.923 -17.895 -12.606 331 H GLU 38 H GLU 38 0.465 -14.362 -10.882 332 HA GLU 38 HA GLU 38 -0.060 -15.129 -8.365 333 1HB GLU 38 1HB GLU 38 2.157 -14.706 -9.136 334 2HB GLU 38 2HB GLU 38 1.834 -12.999 -9.434 335 1HG GLU 38 1HG GLU 38 1.776 -14.202 -6.635 336 2HG GLU 38 2HG GLU 38 3.248 -13.542 -7.373 337 H ARG 39 H ARG 39 -0.183 -11.588 -9.110 338 HA ARG 39 HA ARG 39 -1.304 -11.027 -6.640 339 1HB ARG 39 1HB ARG 39 -2.169 -9.425 -9.094 340 2HB ARG 39 2HB ARG 39 -2.140 -8.945 -7.395 341 1HG ARG 39 1HG ARG 39 -0.191 -7.933 -7.909 342 2HG ARG 39 2HG ARG 39 0.471 -9.537 -7.679 343 1HD ARG 39 1HD ARG 39 1.289 -8.879 -9.801 344 2HD ARG 39 2HD ARG 39 -0.077 -9.881 -10.235 345 HE ARG 39 HE ARG 39 -1.470 -7.777 -10.420 346 1HH1 ARG 39 2HH2 ARG 39 2.043 -7.571 -11.124 347 2HH1 ARG 39 1HH2 ARG 39 1.840 -5.969 -11.777 348 1HH2 ARG 39 2HH1 ARG 39 -1.566 -5.763 -11.255 349 2HH2 ARG 39 1HH1 ARG 39 -0.122 -4.955 -11.865 350 H GLU 40 H GLU 40 -3.067 -11.800 -9.647 351 HA GLU 40 HA GLU 40 -5.668 -11.298 -8.754 352 1HB GLU 40 1HB GLU 40 -4.405 -12.680 -10.943 353 2HB GLU 40 2HB GLU 40 -5.778 -13.635 -10.360 354 1HG GLU 40 1HG GLU 40 -6.486 -12.076 -12.116 355 2HG GLU 40 2HG GLU 40 -7.284 -11.731 -10.585 356 H THR 41 H THR 41 -3.901 -14.399 -8.661 357 HA THR 41 HA THR 41 -5.566 -15.821 -6.953 358 HB THR 41 HB THR 41 -2.786 -15.961 -7.997 359 HG1 THR 41 1HG THR 41 -4.750 -17.875 -7.284 360 1HG2 THR 41 2HG2 THR 41 -3.190 -17.216 -5.282 361 2HG2 THR 41 3HG2 THR 41 -1.933 -17.642 -6.472 362 3HG2 THR 41 1HG2 THR 41 -1.962 -16.017 -5.782 363 H LEU 42 H LEU 42 -2.863 -13.587 -6.039 364 HA LEU 42 HA LEU 42 -2.910 -14.375 -3.312 365 1HB LEU 42 1HB LEU 42 -0.963 -13.376 -3.557 366 2HB LEU 42 2HB LEU 42 -1.480 -12.450 -4.941 367 HG LEU 42 HG LEU 42 -2.419 -10.715 -3.493 368 1HD1 LEU 42 2HD1 LEU 42 -2.666 -12.176 -1.352 369 2HD1 LEU 42 3HD1 LEU 42 -0.921 -11.960 -1.172 370 3HD1 LEU 42 1HD1 LEU 42 -2.016 -10.556 -1.182 371 1HD2 LEU 42 3HD2 LEU 42 0.504 -11.465 -3.042 372 2HD2 LEU 42 1HD2 LEU 42 -0.163 -10.506 -4.370 373 3HD2 LEU 42 2HD2 LEU 42 -0.179 -9.868 -2.713 374 H VAL 43 H VAL 43 -4.461 -11.603 -4.961 375 HA VAL 43 HA VAL 43 -5.786 -10.462 -2.747 376 HB VAL 43 HB VAL 43 -6.708 -10.815 -5.642 377 1HG1 VAL 43 3HG1 VAL 43 -7.811 -9.161 -3.356 378 2HG1 VAL 43 1HG1 VAL 43 -8.241 -8.881 -5.058 379 3HG1 VAL 43 2HG1 VAL 43 -8.679 -10.405 -4.278 380 1HG2 VAL 43 2HG2 VAL 43 -4.633 -9.433 -5.347 381 2HG2 VAL 43 3HG2 VAL 43 -6.019 -8.512 -5.929 382 3HG2 VAL 43 1HG2 VAL 43 -5.525 -8.396 -4.221 383 H GLU 44 H GLU 44 -6.757 -13.104 -4.903 384 HA GLU 44 HA GLU 44 -9.279 -13.640 -3.763 385 1HB GLU 44 1HB GLU 44 -8.007 -14.339 -6.022 386 2HB GLU 44 2HB GLU 44 -7.486 -15.742 -5.095 387 1HG GLU 44 1HG GLU 44 -9.339 -16.170 -6.522 388 2HG GLU 44 2HG GLU 44 -9.803 -16.391 -4.820 389 H GLU 45 H GLU 45 -6.324 -15.602 -3.380 390 HA GLU 45 HA GLU 45 -7.047 -17.326 -1.380 391 1HB GLU 45 1HB GLU 45 -4.609 -16.353 -2.569 392 2HB GLU 45 2HB GLU 45 -4.354 -16.564 -0.862 393 1HG GLU 45 1HG GLU 45 -5.528 -18.759 -2.578 394 2HG GLU 45 2HG GLU 45 -3.792 -18.539 -2.326 395 H CYS 46 H CYS 46 -5.753 -14.012 -1.038 396 HA CYS 46 HA CYS 46 -5.530 -13.929 1.801 397 1HB CYS 46 1HB CYS 46 -5.666 -11.848 -0.401 398 2HB CYS 46 2HB CYS 46 -6.216 -11.326 1.178 399 HG CYS 46 HG CYS 46 -3.895 -10.532 1.032 400 H ASN 47 H ASN 47 -8.051 -12.600 -0.348 401 HA ASN 47 HA ASN 47 -9.964 -11.809 1.602 402 1HB ASN 47 1HB ASN 47 -9.959 -12.492 -1.352 403 2HB ASN 47 2HB ASN 47 -11.493 -12.354 -0.583 404 1HD2 ASN 47 2HD2 ASN 47 -9.390 -8.989 -1.446 405 2HD2 ASN 47 1HD2 ASN 47 -8.938 -10.621 -1.929 406 H ARG 48 H ARG 48 -9.631 -14.901 -0.105 407 HA ARG 48 HA ARG 48 -11.895 -16.231 0.874 408 1HB ARG 48 1HB ARG 48 -10.103 -16.896 -0.922 409 2HB ARG 48 2HB ARG 48 -9.200 -17.554 0.437 410 1HG ARG 48 1HG ARG 48 -11.679 -18.691 0.859 411 2HG ARG 48 2HG ARG 48 -11.736 -18.418 -0.885 412 1HD ARG 48 1HD ARG 48 -10.744 -20.479 -0.925 413 2HD ARG 48 2HD ARG 48 -9.266 -19.547 -0.784 414 HE ARG 48 HE ARG 48 -10.710 -21.132 1.273 415 1HH1 ARG 48 2HH2 ARG 48 -7.642 -19.344 0.585 416 2HH1 ARG 48 1HH2 ARG 48 -7.068 -19.542 2.148 417 1HH2 ARG 48 2HH1 ARG 48 -9.705 -21.619 3.272 418 2HH2 ARG 48 1HH1 ARG 48 -8.160 -20.905 3.655 419 H ALA 49 H ALA 49 -8.515 -16.237 2.146 420 HA ALA 49 HA ALA 49 -9.144 -17.660 4.556 421 1HB ALA 49 3HB ALA 49 -6.877 -17.471 3.586 422 2HB ALA 49 1HB ALA 49 -6.856 -15.736 3.966 423 3HB ALA 49 2HB ALA 49 -6.929 -16.937 5.278 424 H GLU 50 H GLU 50 -9.195 -14.238 3.674 425 HA GLU 50 HA GLU 50 -9.317 -13.143 6.291 426 1HB GLU 50 1HB GLU 50 -8.750 -12.037 3.940 427 2HB GLU 50 2HB GLU 50 -10.489 -11.745 3.916 428 1HG GLU 50 1HG GLU 50 -9.834 -9.824 4.963 429 2HG GLU 50 2HG GLU 50 -9.889 -10.819 6.417 430 H CYS 51 H CYS 51 -11.674 -14.480 4.019 431 HA CYS 51 HA CYS 51 -13.945 -13.605 5.426 432 1HB CYS 51 1HB CYS 51 -15.187 -14.776 3.979 433 2HB CYS 51 2HB CYS 51 -13.677 -14.970 3.076 434 HG CYS 51 HG CYS 51 -15.337 -16.941 5.152 435 H ILE 52 H ILE 52 -11.866 -16.491 5.819 436 HA ILE 52 HA ILE 52 -13.738 -17.933 7.375 437 HB ILE 52 HB ILE 52 -10.721 -18.179 6.991 438 1HG1 ILE 52 1HG1 ILE 52 -13.123 -19.708 5.875 439 2HG1 ILE 52 2HG1 ILE 52 -12.125 -18.537 5.002 440 1HG2 ILE 52 3HG2 ILE 52 -11.279 -19.210 9.161 441 2HG2 ILE 52 1HG2 ILE 52 -12.545 -20.178 8.370 442 3HG2 ILE 52 2HG2 ILE 52 -10.826 -20.411 7.974 443 1HD1 ILE 52 2HD1 ILE 52 -10.141 -20.036 5.341 444 2HD1 ILE 52 3HD1 ILE 52 -11.258 -21.277 5.968 445 3HD1 ILE 52 1HD1 ILE 52 -11.440 -20.690 4.312 446 H GLN 53 H GLN 53 -11.023 -15.889 8.188 447 HA GLN 53 HA GLN 53 -10.922 -16.364 10.965 448 1HB GLN 53 1HB GLN 53 -10.082 -13.902 11.151 449 2HB GLN 53 2HB GLN 53 -9.105 -15.147 10.369 450 1HG GLN 53 1HG GLN 53 -9.561 -14.397 8.219 451 2HG GLN 53 2HG GLN 53 -10.977 -13.491 8.733 452 1HE2 GLN 53 2HE2 GLN 53 -7.561 -11.543 8.201 453 2HE2 GLN 53 1HE2 GLN 53 -7.723 -13.230 7.853 454 H ARG 54 H ARG 54 -13.500 -14.482 9.304 455 HA ARG 54 HA ARG 54 -14.857 -14.392 11.896 456 1HB ARG 54 1HB ARG 54 -14.878 -12.037 9.976 457 2HB ARG 54 2HB ARG 54 -15.596 -12.244 11.541 458 1HG ARG 54 1HG ARG 54 -13.835 -10.877 12.125 459 2HG ARG 54 2HG ARG 54 -13.166 -12.466 12.458 460 1HD ARG 54 1HD ARG 54 -11.478 -11.323 11.300 461 2HD ARG 54 2HD ARG 54 -12.167 -12.340 10.042 462 HE ARG 54 HE ARG 54 -12.359 -9.406 10.316 463 1HH1 ARG 54 2HH2 ARG 54 -12.930 -12.005 7.977 464 2HH1 ARG 54 1HH2 ARG 54 -14.161 -11.125 7.166 465 1HH2 ARG 54 2HH1 ARG 54 -13.661 -8.249 9.187 466 2HH2 ARG 54 1HH1 ARG 54 -14.921 -8.992 8.204 467 H GLY 55 H GLY 55 -15.071 -16.206 9.585 468 1HA GLY 55 1HA GLY 55 -16.752 -17.138 8.341 469 2HA GLY 55 2HA GLY 55 -17.913 -16.038 9.086 470 H VAL 56 H VAL 56 -17.784 -13.718 8.212 471 HA VAL 56 HA VAL 56 -18.533 -12.414 6.496 472 HB VAL 56 HB VAL 56 -15.998 -13.527 5.536 473 1HG1 VAL 56 1HG1 VAL 56 -17.134 -13.796 3.445 474 2HG1 VAL 56 2HG1 VAL 56 -17.681 -12.087 3.478 475 3HG1 VAL 56 3HG1 VAL 56 -15.965 -12.496 3.359 476 1HG2 VAL 56 2HG2 VAL 56 -16.098 -11.364 6.786 477 2HG2 VAL 56 3HG2 VAL 56 -15.198 -11.358 5.273 478 3HG2 VAL 56 1HG2 VAL 56 -16.792 -10.624 5.317 479 H SER 57 H SER 57 -19.610 -12.496 4.260 480 HA SER 57 HA SER 57 -21.024 -15.056 3.788 481 1HB SER 57 1HB SER 57 -21.315 -12.285 3.054 482 2HB SER 57 2HB SER 57 -21.337 -13.274 1.614 483 HG SER 57 HG SER 57 -22.935 -13.837 3.896 484 HA PRO 58 HA PRO 58 -16.992 -15.856 1.911 485 1HB PRO 58 1HB PRO 58 -17.456 -18.255 0.568 486 2HB PRO 58 2HB PRO 58 -17.093 -18.083 2.307 487 1HG PRO 58 1HG PRO 58 -19.812 -18.334 0.997 488 2HG PRO 58 2HG PRO 58 -19.204 -19.196 2.440 489 1HD PRO 58 1HD PRO 58 -20.794 -17.033 2.695 490 2HD PRO 58 2HD PRO 58 -19.389 -17.227 3.785 491 H SER 59 H SER 59 -19.929 -16.010 -0.102 492 HA SER 59 HA SER 59 -18.665 -15.770 -2.666 493 1HB SER 59 1HB SER 59 -21.040 -14.709 -3.112 494 2HB SER 59 2HB SER 59 -20.866 -16.430 -2.766 495 HG SER 59 HG SER 59 -22.498 -15.598 -1.497 496 H GLN 60 H GLN 60 -19.355 -13.559 -0.080 497 HA GLN 60 HA GLN 60 -18.875 -11.149 -1.716 498 1HB GLN 60 1HB GLN 60 -20.987 -11.651 -0.243 499 2HB GLN 60 2HB GLN 60 -19.929 -11.352 1.144 500 1HG GLN 60 1HG GLN 60 -19.602 -9.063 0.480 501 2HG GLN 60 2HG GLN 60 -20.380 -9.337 -1.089 502 1HE2 GLN 60 2HE2 GLN 60 -23.728 -9.541 0.269 503 2HE2 GLN 60 1HE2 GLN 60 -22.677 -10.027 -1.044 504 H ALA 61 H ALA 61 -16.652 -12.952 -0.911 505 HA ALA 61 HA ALA 61 -15.389 -11.717 1.360 506 1HB ALA 61 1HB ALA 61 -14.714 -13.954 0.554 507 2HB ALA 61 2HB ALA 61 -14.025 -13.207 -0.908 508 3HB ALA 61 3HB ALA 61 -13.353 -12.837 0.694 509 H GLN 62 H GLN 62 -15.548 -10.855 -2.007 510 HA GLN 62 HA GLN 62 -13.624 -8.768 -1.954 511 1HB GLN 62 1HB GLN 62 -14.456 -8.076 -3.981 512 2HB GLN 62 2HB GLN 62 -14.908 -9.770 -3.924 513 1HG GLN 62 1HG GLN 62 -16.847 -8.774 -4.747 514 2HG GLN 62 2HG GLN 62 -17.237 -8.879 -3.033 515 1HE2 GLN 62 2HE2 GLN 62 -17.547 -5.317 -2.839 516 2HE2 GLN 62 1HE2 GLN 62 -17.903 -6.870 -2.097 517 H GLY 63 H GLY 63 -16.670 -9.065 -0.359 518 1HA GLY 63 1HA GLY 63 -17.025 -6.213 0.263 519 2HA GLY 63 2HA GLY 63 -18.047 -7.567 0.716 520 H LEU 64 H LEU 64 -14.566 -7.954 1.234 521 HA LEU 64 HA LEU 64 -14.845 -7.998 4.078 522 1HB LEU 64 1HB LEU 64 -12.692 -8.364 2.072 523 2HB LEU 64 2HB LEU 64 -12.114 -7.538 3.491 524 HG LEU 64 HG LEU 64 -11.724 -9.773 3.881 525 1HD1 LEU 64 1HD1 LEU 64 -12.730 -8.249 5.674 526 2HD1 LEU 64 2HD1 LEU 64 -14.062 -9.423 5.612 527 3HD1 LEU 64 3HD1 LEU 64 -12.386 -9.978 5.938 528 1HD2 LEU 64 2HD2 LEU 64 -14.521 -10.445 3.232 529 2HD2 LEU 64 3HD2 LEU 64 -12.999 -10.923 2.405 530 3HD2 LEU 64 1HD2 LEU 64 -13.313 -11.515 4.036 531 H GLY 65 H GLY 65 -16.138 -5.912 4.123 532 1HA GLY 65 1HA GLY 65 -14.839 -3.349 3.685 533 2HA GLY 65 2HA GLY 65 -16.429 -3.654 4.409 534 H SER 66 H SER 66 -13.059 -4.354 5.144 535 HA SER 66 HA SER 66 -12.956 -3.218 7.784 536 1HB SER 66 1HB SER 66 -14.156 -5.800 7.593 537 2HB SER 66 2HB SER 66 -12.472 -6.144 7.823 538 HG SER 66 HG SER 66 -12.998 -5.832 9.848 539 H ASN 67 H ASN 67 -11.823 -5.579 5.352 540 HA ASN 67 HA ASN 67 -8.984 -5.169 6.178 541 1HB ASN 67 1HB ASN 67 -10.700 -7.622 5.751 542 2HB ASN 67 2HB ASN 67 -8.994 -7.768 5.590 543 1HD2 ASN 67 2HD2 ASN 67 -9.374 -8.572 9.124 544 2HD2 ASN 67 1HD2 ASN 67 -8.885 -9.192 7.547 545 H LEU 68 H LEU 68 -11.254 -5.391 3.564 546 HA LEU 68 HA LEU 68 -10.426 -7.031 1.847 547 1HB LEU 68 1HB LEU 68 -12.257 -5.701 1.353 548 2HB LEU 68 2HB LEU 68 -11.307 -4.205 1.219 549 HG LEU 68 HG LEU 68 -10.212 -5.271 -0.860 550 1HD1 LEU 68 2HD1 LEU 68 -12.408 -7.322 -0.372 551 2HD1 LEU 68 3HD1 LEU 68 -11.498 -7.150 -1.893 552 3HD1 LEU 68 1HD1 LEU 68 -10.656 -7.574 -0.402 553 1HD2 LEU 68 2HD2 LEU 68 -13.181 -4.794 -0.914 554 2HD2 LEU 68 3HD2 LEU 68 -11.903 -3.578 -1.110 555 3HD2 LEU 68 1HD2 LEU 68 -12.122 -4.845 -2.332 556 H VAL 69 H VAL 69 -8.555 -7.632 1.139 557 HA VAL 69 HA VAL 69 -6.415 -5.817 0.196 558 HB VAL 69 HB VAL 69 -6.810 -8.836 0.055 559 1HG1 VAL 69 3HG1 VAL 69 -4.439 -7.111 -0.768 560 2HG1 VAL 69 1HG1 VAL 69 -4.391 -8.881 -0.592 561 3HG1 VAL 69 2HG1 VAL 69 -5.418 -8.149 -1.828 562 1HG2 VAL 69 3HG2 VAL 69 -6.391 -7.882 2.356 563 2HG2 VAL 69 1HG2 VAL 69 -5.063 -8.882 1.778 564 3HG2 VAL 69 2HG2 VAL 69 -4.932 -7.109 1.733 565 H THR 70 H THR 70 -6.379 -4.992 -1.855 566 HA THR 70 HA THR 70 -7.849 -6.387 -4.038 567 HB THR 70 HB THR 70 -8.202 -4.262 -5.097 568 HG1 THR 70 1HG THR 70 -7.515 -2.384 -4.344 569 1HG2 THR 70 2HG2 THR 70 -9.841 -5.011 -3.318 570 2HG2 THR 70 3HG2 THR 70 -9.041 -3.878 -2.198 571 3HG2 THR 70 1HG2 THR 70 -9.857 -3.271 -3.645 572 H GLU 71 H GLU 71 -6.688 -6.101 -6.153 573 HA GLU 71 HA GLU 71 -3.981 -6.685 -6.097 574 1HB GLU 71 1HB GLU 71 -5.451 -7.022 -8.014 575 2HB GLU 71 2HB GLU 71 -5.459 -5.266 -8.328 576 1HG GLU 71 1HG GLU 71 -2.978 -5.381 -8.688 577 2HG GLU 71 2HG GLU 71 -3.043 -7.123 -8.403 578 H VAL 72 H VAL 72 -5.541 -3.456 -6.224 579 HA VAL 72 HA VAL 72 -3.123 -1.961 -6.503 580 HB VAL 72 HB VAL 72 -5.860 -1.379 -5.493 581 1HG1 VAL 72 2HG1 VAL 72 -3.530 0.544 -5.267 582 2HG1 VAL 72 3HG1 VAL 72 -5.245 1.010 -5.223 583 3HG1 VAL 72 1HG1 VAL 72 -4.593 -0.035 -3.956 584 1HG2 VAL 72 2HG2 VAL 72 -5.347 -1.477 -7.911 585 2HG2 VAL 72 3HG2 VAL 72 -5.820 0.157 -7.408 586 3HG2 VAL 72 1HG2 VAL 72 -4.110 -0.216 -7.703 587 H ARG 73 H ARG 73 -4.766 -3.165 -3.526 588 HA ARG 73 HA ARG 73 -2.848 -1.930 -1.738 589 1HB ARG 73 1HB ARG 73 -4.610 -4.370 -1.342 590 2HB ARG 73 2HB ARG 73 -3.691 -3.562 -0.088 591 1HG ARG 73 1HG ARG 73 -5.947 -2.250 -1.705 592 2HG ARG 73 2HG ARG 73 -6.068 -2.926 -0.088 593 1HD ARG 73 1HD ARG 73 -5.733 -0.772 0.503 594 2HD ARG 73 2HD ARG 73 -4.067 -1.327 0.472 595 HE ARG 73 HE ARG 73 -5.440 0.099 -1.810 596 1HH1 ARG 73 2HH2 ARG 73 -2.659 -0.030 0.401 597 2HH1 ARG 73 1HH2 ARG 73 -1.860 1.318 -0.368 598 1HH2 ARG 73 2HH1 ARG 73 -4.512 2.029 -2.563 599 2HH2 ARG 73 1HH1 ARG 73 -2.940 2.559 -2.003 600 H VAL 74 H VAL 74 -3.063 -5.124 -3.314 601 HA VAL 74 HA VAL 74 -0.762 -6.301 -2.228 602 HB VAL 74 HB VAL 74 -2.161 -6.514 -4.903 603 1HG1 VAL 74 3HG1 VAL 74 0.241 -8.074 -4.002 604 2HG1 VAL 74 1HG1 VAL 74 -0.883 -8.604 -5.280 605 3HG1 VAL 74 2HG1 VAL 74 0.039 -7.122 -5.499 606 1HG2 VAL 74 1HG2 VAL 74 -3.352 -7.329 -2.900 607 2HG2 VAL 74 2HG2 VAL 74 -2.943 -8.617 -4.028 608 3HG2 VAL 74 3HG2 VAL 74 -1.990 -8.409 -2.545 609 H TYR 75 H TYR 75 -1.166 -4.227 -5.122 610 HA TYR 75 HA TYR 75 1.423 -4.055 -6.025 611 1HB TYR 75 1HB TYR 75 -0.866 -2.888 -6.805 612 2HB TYR 75 2HB TYR 75 -0.198 -1.503 -5.951 613 HD1 TYR 75 1HD TYR 75 2.040 -0.555 -6.713 614 HD2 TYR 75 2HD TYR 75 0.004 -3.703 -8.846 615 HE1 TYR 75 1HE TYR 75 3.531 -0.205 -8.663 616 HE2 TYR 75 2HE TYR 75 1.502 -3.360 -10.766 617 HH TYR 75 HH TYR 75 3.320 -2.275 -11.587 618 H ASN 76 H ASN 76 -0.089 -2.275 -3.338 619 HA ASN 76 HA ASN 76 2.082 -0.462 -2.927 620 1HB ASN 76 1HB ASN 76 -0.020 -1.469 -0.943 621 2HB ASN 76 2HB ASN 76 1.254 -0.356 -0.510 622 1HD2 ASN 76 2HD2 ASN 76 -1.234 1.120 -3.404 623 2HD2 ASN 76 1HD2 ASN 76 -0.991 -0.583 -3.347 624 H TRP 77 H TRP 77 1.319 -3.637 -1.337 625 HA TRP 77 HA TRP 77 3.617 -3.371 0.423 626 1HB TRP 77 1HB TRP 77 3.006 -5.264 1.397 627 2HB TRP 77 2HB TRP 77 1.486 -5.053 0.538 628 HD1 TRP 77 HD TRP 77 1.184 -6.666 -1.601 629 HE1 TRP 77 1HE TRP 77 2.171 -8.926 -2.254 630 HE3 TRP 77 3HE TRP 77 5.069 -6.836 1.736 631 HZ2 TRP 77 2HZ TRP 77 3.949 -10.787 -1.057 632 HZ3 TRP 77 3HZ TRP 77 6.070 -9.027 2.241 633 HH2 TRP 77 HH TRP 77 5.642 -10.986 0.793 634 H PHE 78 H PHE 78 3.108 -5.232 -2.668 635 HA PHE 78 HA PHE 78 5.773 -6.155 -2.721 636 1HB PHE 78 1HB PHE 78 3.870 -5.529 -5.003 637 2HB PHE 78 2HB PHE 78 5.474 -6.214 -5.237 638 HD1 PHE 78 2HD PHE 78 5.896 -8.287 -3.286 639 HD2 PHE 78 1HD PHE 78 2.352 -7.257 -5.535 640 HE1 PHE 78 2HE PHE 78 5.111 -10.630 -3.185 641 HE2 PHE 78 1HE PHE 78 1.677 -9.621 -5.504 642 HZ PHE 78 HZ PHE 78 3.038 -11.316 -4.283 643 H ALA 79 H ALA 79 4.414 -3.116 -4.015 644 HA ALA 79 HA ALA 79 6.717 -2.124 -5.249 645 1HB ALA 79 2HB ALA 79 4.541 -0.582 -3.794 646 2HB ALA 79 3HB ALA 79 5.753 0.103 -4.887 647 3HB ALA 79 1HB ALA 79 4.567 -1.040 -5.518 648 H ASN 80 H ASN 80 5.924 -2.268 -1.792 649 HA ASN 80 HA ASN 80 8.225 -0.540 -1.078 650 1HB ASN 80 1HB ASN 80 5.993 -1.855 0.497 651 2HB ASN 80 2HB ASN 80 7.401 -1.157 1.285 652 1HD2 ASN 80 2HD2 ASN 80 4.566 1.321 -0.298 653 2HD2 ASN 80 1HD2 ASN 80 4.461 -0.434 -0.400 654 H ARG 81 H ARG 81 7.162 -3.877 -0.418 655 HA ARG 81 HA ARG 81 9.376 -4.911 0.838 656 1HB ARG 81 1HB ARG 81 7.181 -6.027 0.461 657 2HB ARG 81 2HB ARG 81 7.571 -6.200 -1.248 658 1HG ARG 81 1HG ARG 81 7.864 -8.295 -0.246 659 2HG ARG 81 2HG ARG 81 9.473 -7.707 -0.630 660 1HD ARG 81 1HD ARG 81 8.170 -7.503 2.120 661 2HD ARG 81 2HD ARG 81 9.128 -8.874 1.608 662 HE ARG 81 HE ARG 81 11.081 -7.341 1.259 663 1HH1 ARG 81 2HH2 ARG 81 8.628 -6.385 3.708 664 2HH1 ARG 81 1HH2 ARG 81 9.862 -6.266 4.934 665 1HH2 ARG 81 2HH1 ARG 81 12.561 -6.751 2.746 666 2HH2 ARG 81 1HH1 ARG 81 12.099 -5.867 4.205 667 H ARG 82 H ARG 82 8.797 -4.816 -2.735 668 HA ARG 82 HA ARG 82 11.321 -5.927 -3.389 669 1HB ARG 82 1HB ARG 82 10.922 -5.443 -5.626 670 2HB ARG 82 2HB ARG 82 9.376 -5.858 -4.880 671 1HG ARG 82 1HG ARG 82 9.077 -3.248 -4.669 672 2HG ARG 82 2HG ARG 82 10.389 -3.144 -5.845 673 1HD ARG 82 1HD ARG 82 7.941 -4.912 -6.292 674 2HD ARG 82 2HD ARG 82 7.892 -3.221 -6.700 675 HE ARG 82 HE ARG 82 9.398 -5.357 -8.066 676 1HH1 ARG 82 2HH2 ARG 82 8.893 -1.889 -7.767 677 2HH1 ARG 82 1HH2 ARG 82 9.210 -1.513 -9.422 678 1HH2 ARG 82 2HH1 ARG 82 9.835 -4.982 -10.186 679 2HH2 ARG 82 1HH1 ARG 82 9.746 -3.393 -10.927 680 H LYS 83 H LYS 83 10.319 -2.512 -2.964 681 HA LYS 83 HA LYS 83 12.759 -1.251 -3.768 682 1HB LYS 83 1HB LYS 83 10.382 -0.582 -2.098 683 2HB LYS 83 2HB LYS 83 11.856 0.196 -1.553 684 1HG LYS 83 1HG LYS 83 10.433 1.487 -3.044 685 2HG LYS 83 2HG LYS 83 12.104 1.389 -3.563 686 1HD LYS 83 1HD LYS 83 11.643 0.158 -5.450 687 2HD LYS 83 2HD LYS 83 10.266 -0.668 -4.753 688 1HE LYS 83 1HE LYS 83 10.270 2.296 -5.563 689 2HE LYS 83 2HE LYS 83 9.670 0.971 -6.551 690 1HZ LYS 83 1HZ LYS 83 8.114 0.465 -4.705 691 2HZ LYS 83 2HZ LYS 83 8.502 1.835 -3.948 692 3HZ LYS 83 3HZ LYS 83 7.819 1.927 -5.407 693 H GLU 84 H GLU 84 11.698 -2.596 -0.605 694 HA GLU 84 HA GLU 84 14.144 -1.844 0.654 695 1HB GLU 84 1HB GLU 84 11.526 -2.779 1.385 696 2HB GLU 84 2HB GLU 84 12.652 -3.993 1.962 697 1HG GLU 84 1HG GLU 84 12.862 -0.991 2.494 698 2HG GLU 84 2HG GLU 84 12.122 -2.151 3.601 699 H GLU 85 H GLU 85 13.426 -4.353 -1.574 700 HA GLU 85 HA GLU 85 15.957 -5.752 -0.876 701 1HB GLU 85 1HB GLU 85 13.590 -6.955 -0.709 702 2HB GLU 85 2HB GLU 85 13.730 -7.069 -2.457 703 1HG GLU 85 1HG GLU 85 15.968 -8.169 -2.177 704 2HG GLU 85 2HG GLU 85 15.825 -7.967 -0.439 705 H ALA 86 H ALA 86 15.448 -3.339 -2.503 706 HA ALA 86 HA ALA 86 16.919 -4.199 -4.940 707 1HB ALA 86 2HB ALA 86 14.551 -4.447 -5.625 708 2HB ALA 86 3HB ALA 86 14.223 -2.764 -5.157 709 3HB ALA 86 1HB ALA 86 15.349 -3.102 -6.465 710 H PHE 87 H PHE 87 15.071 -1.385 -3.724 711 HA PHE 87 HA PHE 87 16.967 0.568 -4.644 712 1HB PHE 87 1HB PHE 87 14.736 0.621 -2.562 713 2HB PHE 87 2HB PHE 87 15.887 1.919 -2.691 714 HD1 PHE 87 1HD PHE 87 14.737 0.151 -5.797 715 HD2 PHE 87 2HD PHE 87 14.282 3.618 -3.237 716 HE1 PHE 87 1HE PHE 87 13.375 1.258 -7.520 717 HE2 PHE 87 2HE PHE 87 12.913 4.698 -4.978 718 HZ PHE 87 HZ PHE 87 12.434 3.527 -7.102 719 H ARG 88 H ARG 88 16.289 -0.791 -1.418 720 HA ARG 88 HA ARG 88 18.444 0.074 0.084 721 1HB ARG 88 1HB ARG 88 16.592 -1.219 0.984 722 2HB ARG 88 2HB ARG 88 16.967 -2.562 -0.095 723 1HG ARG 88 1HG ARG 88 17.513 -3.204 2.072 724 2HG ARG 88 2HG ARG 88 19.012 -3.081 1.179 725 1HD ARG 88 1HD ARG 88 17.839 -1.042 3.148 726 2HD ARG 88 2HD ARG 88 19.031 -2.232 3.586 727 HE ARG 88 HE ARG 88 19.481 0.318 2.360 728 1HH1 ARG 88 2HH2 ARG 88 20.810 -3.023 2.409 729 2HH1 ARG 88 1HH2 ARG 88 22.144 -2.537 1.358 730 1HH2 ARG 88 2HH1 ARG 88 21.806 0.897 2.016 731 2HH2 ARG 88 1HH1 ARG 88 22.737 -0.352 1.206 732 H HIS 89 H HIS 89 18.290 -2.765 -2.072 733 HA HIS 89 HA HIS 89 20.936 -3.639 -1.427 734 1HB HIS 89 1HB HIS 89 18.649 -4.610 -2.914 735 2HB HIS 89 2HB HIS 89 20.029 -4.720 -3.973 736 HD1 HIS 89 1HD HIS 89 22.242 -6.099 -2.776 737 HD2 HIS 89 2HD HIS 89 18.371 -6.476 -1.137 738 HE1 HIS 89 1HE HIS 89 22.288 -8.133 -1.238 739 H LYS 90 H LYS 90 19.726 -1.399 -3.845 740 HA LYS 90 HA LYS 90 22.146 -1.596 -5.521 741 1HB LYS 90 1HB LYS 90 19.570 0.042 -5.592 742 2HB LYS 90 2HB LYS 90 20.922 0.391 -6.671 743 1HG LYS 90 1HG LYS 90 19.700 -2.391 -6.518 744 2HG LYS 90 2HG LYS 90 19.028 -1.118 -7.549 745 1HD LYS 90 1HD LYS 90 21.250 -0.832 -8.653 746 2HD LYS 90 2HD LYS 90 21.932 -2.094 -7.651 747 1HE LYS 90 1HE LYS 90 21.501 -2.987 -9.812 748 2HE LYS 90 2HE LYS 90 20.358 -3.749 -8.697 749 1HZ LYS 90 2HZ LYS 90 19.731 -1.490 -10.480 750 2HZ LYS 90 3HZ LYS 90 19.408 -3.050 -10.806 751 3HZ LYS 90 1HZ LYS 90 18.645 -2.302 -9.547 752 H LEU 91 H LEU 91 20.509 0.894 -3.478 753 HA LEU 91 HA LEU 91 22.699 2.610 -3.656 754 1HB LEU 91 1HB LEU 91 21.689 3.913 -1.871 755 2HB LEU 91 2HB LEU 91 20.541 3.430 -3.110 756 HG LEU 91 HG LEU 91 20.150 1.389 -1.375 757 1HD1 LEU 91 3HD1 LEU 91 21.830 2.216 0.206 758 2HD1 LEU 91 1HD1 LEU 91 20.859 3.689 0.428 759 3HD1 LEU 91 2HD1 LEU 91 20.191 2.096 0.874 760 1HD2 LEU 91 2HD2 LEU 91 18.408 2.972 -2.246 761 2HD2 LEU 91 3HD2 LEU 91 18.209 2.634 -0.515 762 3HD2 LEU 91 1HD2 LEU 91 18.934 4.170 -1.047 763 H ALA 92 H ALA 92 24.464 2.891 -2.264 764 HA ALA 92 HA ALA 92 26.025 2.391 -0.682 765 1HB ALA 92 2HB ALA 92 24.462 0.993 0.662 766 2HB ALA 92 3HB ALA 92 24.922 -0.397 -0.364 767 3HB ALA 92 1HB ALA 92 26.150 0.434 0.598 768 H MET 93 H MET 93 27.074 2.806 -2.608 769 HA MET 93 HA MET 93 28.712 2.560 -3.964 770 1HB MET 93 1HB MET 93 30.465 1.266 -3.377 771 2HB MET 93 2HB MET 93 29.486 1.156 -1.923 772 1HG MET 93 1HG MET 93 28.630 -1.119 -2.997 773 2HG MET 93 2HG MET 93 29.984 -0.901 -4.097 774 1HE MET 93 3HE MET 93 28.811 -1.725 -0.504 775 2HE MET 93 1HE MET 93 30.343 -1.807 0.399 776 3HE MET 93 2HE MET 93 29.721 -0.234 -0.142 777 H ASP 94 H ASP 94 26.054 1.304 -4.785 778 HA ASP 94 HA ASP 94 27.141 0.912 -7.548 779 1HB ASP 94 1HB ASP 94 26.151 -1.188 -7.231 780 2HB ASP 94 2HB ASP 94 24.864 -0.576 -6.219 781 H THR 95 H THR 95 24.135 1.555 -5.892 782 HA THR 95 HA THR 95 22.487 3.031 -6.131 783 HB THR 95 HB THR 95 23.073 5.478 -6.746 784 HG1 THR 95 1HG THR 95 25.277 4.714 -7.443 785 1HG2 THR 95 3HG2 THR 95 24.214 4.185 -4.241 786 2HG2 THR 95 1HG2 THR 95 23.874 5.918 -4.446 787 3HG2 THR 95 2HG2 THR 95 22.537 4.760 -4.478 788 H TYR 96 H TYR 96 21.073 4.091 -7.737 789 HA TYR 96 HA TYR 96 21.756 3.173 -10.490 790 1HB TYR 96 1HB TYR 96 20.709 1.414 -8.773 791 2HB TYR 96 2HB TYR 96 19.209 2.187 -9.240 792 HD1 TYR 96 1HD TYR 96 22.336 0.589 -10.583 793 HD2 TYR 96 2HD TYR 96 18.130 1.313 -11.226 794 HE1 TYR 96 1HE TYR 96 22.363 -0.925 -12.526 795 HE2 TYR 96 2HE TYR 96 18.203 -0.084 -13.256 796 HH TYR 96 HH TYR 96 21.042 -2.053 -14.085 797 H LYS 97 H LYS 97 19.804 3.312 -11.888 798 HA LYS 97 HA LYS 97 18.746 5.863 -12.245 799 1HB LYS 97 1HB LYS 97 18.804 4.052 -13.871 800 2HB LYS 97 2HB LYS 97 17.574 3.137 -12.997 801 1HG LYS 97 1HG LYS 97 17.012 5.985 -13.839 802 2HG LYS 97 2HG LYS 97 17.010 4.704 -15.069 803 1HD LYS 97 1HD LYS 97 15.379 3.400 -13.721 804 2HD LYS 97 2HD LYS 97 15.240 4.755 -12.605 805 1HE LYS 97 1HE LYS 97 14.604 4.747 -15.598 806 2HE LYS 97 2HE LYS 97 13.423 4.727 -14.283 807 1HZ LYS 97 1HZ LYS 97 14.182 6.879 -13.615 808 2HZ LYS 97 2HZ LYS 97 15.268 6.950 -14.892 809 3HZ LYS 97 3HZ LYS 97 13.664 6.871 -15.193 810 H LEU 98 H LEU 98 17.203 3.023 -10.674 811 HA LEU 98 HA LEU 98 15.940 2.836 -8.819 812 1HB LEU 98 1HB LEU 98 17.928 4.626 -8.217 813 2HB LEU 98 2HB LEU 98 16.536 5.619 -7.862 814 HG LEU 98 HG LEU 98 15.766 3.448 -6.509 815 1HD1 LEU 98 3HD1 LEU 98 18.809 3.167 -6.696 816 2HD1 LEU 98 1HD1 LEU 98 17.813 2.378 -5.480 817 3HD1 LEU 98 2HD1 LEU 98 17.594 1.968 -7.194 818 1HD2 LEU 98 1HD2 LEU 98 17.919 5.358 -5.528 819 2HD2 LEU 98 2HD2 LEU 98 16.162 5.639 -5.517 820 3HD2 LEU 98 3HD2 LEU 98 16.861 4.366 -4.504 821 H ASN 99 H ASN 99 14.449 3.297 -10.936 822 HA ASN 99 HA ASN 99 12.566 4.118 -11.884 823 1HB ASN 99 2HB ASN 99 11.778 4.460 -8.968 824 2HB ASN 99 3HB ASN 99 10.730 4.920 -10.293 825 1HD2 ASN 99 2HD2 ASN 99 11.478 0.914 -10.537 826 2HD2 ASN 99 1HD2 ASN 99 12.842 2.003 -10.400 No H/Q in entry = 826
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