NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12558 | 1t3v | 6198 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 5.465 -13.411 -12.494 2 HA MET 1 HA MET 1 5.765 -10.802 -11.201 3 1HB MET 1 1HB MET 1 3.987 -11.237 -9.936 4 2HB MET 1 2HB MET 1 3.611 -12.434 -11.141 5 1HG MET 1 1HG MET 1 4.931 -14.050 -9.529 6 2HG MET 1 2HG MET 1 4.712 -12.748 -8.379 7 1HE MET 1 1HE MET 1 2.016 -11.523 -8.515 8 2HE MET 1 2HE MET 1 1.551 -12.081 -10.132 9 3HE MET 1 3HE MET 1 0.599 -12.574 -8.728 10 H ILE 2 H ILE 2 6.836 -10.596 -9.203 11 HA ILE 2 HA ILE 2 8.663 -12.762 -8.404 12 HB ILE 2 HB ILE 2 9.144 -9.833 -7.903 13 1HG1 ILE 2 1HG1 ILE 2 10.244 -11.430 -10.256 14 2HG1 ILE 2 2HG1 ILE 2 9.225 -9.989 -10.318 15 1HG2 ILE 2 1HG2 ILE 2 11.273 -11.965 -7.898 16 2HG2 ILE 2 2HG2 ILE 2 11.330 -10.339 -7.225 17 3HG2 ILE 2 3HG2 ILE 2 10.325 -11.581 -6.479 18 1HD1 ILE 2 1HD1 ILE 2 12.127 -10.120 -9.512 19 2HD1 ILE 2 2HD1 ILE 2 11.361 -9.175 -10.807 20 3HD1 ILE 2 3HD1 ILE 2 11.066 -8.744 -9.123 21 H ILE 3 H ILE 3 8.696 -12.871 -6.030 22 HA ILE 3 HA ILE 3 6.229 -11.882 -4.701 23 HB ILE 3 HB ILE 3 7.504 -14.649 -4.792 24 1HG1 ILE 3 1HG1 ILE 3 4.655 -14.356 -5.557 25 2HG1 ILE 3 2HG1 ILE 3 5.749 -13.526 -6.624 26 1HG2 ILE 3 1HG2 ILE 3 5.639 -15.350 -3.364 27 2HG2 ILE 3 2HG2 ILE 3 6.606 -14.160 -2.540 28 3HG2 ILE 3 3HG2 ILE 3 5.057 -13.663 -3.262 29 1HD1 ILE 3 1HD1 ILE 3 6.985 -15.611 -7.024 30 2HD1 ILE 3 2HD1 ILE 3 5.930 -16.471 -5.860 31 3HD1 ILE 3 3HD1 ILE 3 5.260 -15.823 -7.363 32 H ALA 4 H ALA 4 7.092 -10.541 -3.152 33 HA ALA 4 HA ALA 4 9.740 -11.119 -2.049 34 1HB ALA 4 1HB ALA 4 8.002 -8.779 -2.029 35 2HB ALA 4 2HB ALA 4 8.590 -9.145 -0.373 36 3HB ALA 4 3HB ALA 4 9.741 -8.891 -1.662 37 H ILE 5 H ILE 5 10.270 -11.744 0.094 38 HA ILE 5 HA ILE 5 8.071 -12.261 1.937 39 HB ILE 5 HB ILE 5 9.980 -14.513 1.242 40 1HG1 ILE 5 1HG1 ILE 5 6.964 -14.451 0.754 41 2HG1 ILE 5 2HG1 ILE 5 8.153 -14.124 -0.514 42 1HG2 ILE 5 1HG2 ILE 5 7.587 -14.338 3.161 43 2HG2 ILE 5 2HG2 ILE 5 8.546 -15.791 2.863 44 3HG2 ILE 5 3HG2 ILE 5 9.288 -14.407 3.648 45 1HD1 ILE 5 1HD1 ILE 5 9.132 -16.266 -0.316 46 2HD1 ILE 5 2HD1 ILE 5 7.985 -16.755 0.960 47 3HD1 ILE 5 3HD1 ILE 5 7.412 -16.390 -0.685 48 HA PRO 6 HA PRO 6 11.716 -10.631 4.173 49 1HB PRO 6 1HB PRO 6 10.457 -9.984 6.515 50 2HB PRO 6 2HB PRO 6 10.334 -8.976 5.035 51 1HG PRO 6 1HG PRO 6 8.334 -10.947 6.145 52 2HG PRO 6 2HG PRO 6 8.079 -9.309 5.437 53 1HD PRO 6 1HD PRO 6 7.806 -11.742 4.058 54 2HD PRO 6 2HD PRO 6 8.137 -10.177 3.257 55 H VAL 7 H VAL 7 13.122 -12.071 5.206 56 HA VAL 7 HA VAL 7 11.890 -14.302 6.774 57 HB VAL 7 HB VAL 7 13.864 -15.629 6.009 58 1HG1 VAL 7 1HG1 VAL 7 11.801 -16.261 5.160 59 2HG1 VAL 7 2HG1 VAL 7 11.616 -14.802 4.142 60 3HG1 VAL 7 3HG1 VAL 7 12.778 -16.047 3.705 61 1HG2 VAL 7 1HG2 VAL 7 15.268 -13.841 5.129 62 2HG2 VAL 7 2HG2 VAL 7 14.959 -15.043 3.885 63 3HG2 VAL 7 3HG2 VAL 7 14.106 -13.489 3.825 64 H SER 8 H SER 8 13.049 -15.047 8.578 65 HA SER 8 HA SER 8 14.361 -12.945 10.055 66 1HB SER 8 1HB SER 8 13.873 -15.914 10.512 67 2HB SER 8 2HB SER 8 14.807 -14.948 11.652 68 HG SER 8 HG SER 8 13.012 -13.531 11.805 69 H GLU 9 H GLU 9 15.525 -15.491 7.891 70 HA GLU 9 HA GLU 9 18.283 -14.667 8.242 71 1HB GLU 9 1HB GLU 9 17.205 -17.453 8.911 72 2HB GLU 9 2HB GLU 9 18.896 -17.167 8.492 73 1HG GLU 9 1HG GLU 9 17.423 -15.941 10.865 74 2HG GLU 9 2HG GLU 9 18.509 -17.283 10.927 75 H ASN 10 H ASN 10 19.577 -15.635 6.465 76 HA ASN 10 HA ASN 10 17.958 -16.049 4.022 77 1HB ASN 10 1HB ASN 10 19.856 -14.413 3.988 78 2HB ASN 10 2HB ASN 10 20.987 -15.723 4.301 79 1HD2 ASN 10 1HD2 ASN 10 21.115 -14.095 1.980 80 2HD2 ASN 10 2HD2 ASN 10 20.409 -14.826 0.563 81 H ARG 11 H ARG 11 17.228 -18.130 4.287 82 HA ARG 11 HA ARG 11 19.292 -20.238 4.474 83 1HB ARG 11 1HB ARG 11 16.588 -20.441 5.843 84 2HB ARG 11 2HB ARG 11 17.835 -21.653 5.814 85 1HG ARG 11 1HG ARG 11 19.255 -19.588 6.844 86 2HG ARG 11 2HG ARG 11 17.652 -19.030 7.309 87 1HD ARG 11 1HD ARG 11 17.307 -21.114 8.579 88 2HD ARG 11 2HD ARG 11 18.865 -21.727 8.012 89 HE ARG 11 HE ARG 11 19.166 -19.175 9.320 90 1HH1 ARG 11 2HH2 ARG 11 18.875 -22.619 9.912 91 2HH1 ARG 11 1HH2 ARG 11 19.561 -22.603 11.495 92 1HH2 ARG 11 2HH1 ARG 11 20.157 -19.078 11.503 93 2HH2 ARG 11 1HH1 ARG 11 20.378 -20.543 12.349 94 H GLY 12 H GLY 12 18.345 -19.014 2.102 95 1HA GLY 12 1HA GLY 12 17.346 -19.488 0.031 96 2HA GLY 12 2HA GLY 12 17.713 -21.171 0.473 97 H LYS 13 H LYS 13 15.999 -22.336 0.104 98 HA LYS 13 HA LYS 13 13.251 -21.541 0.058 99 1HB LYS 13 1HB LYS 13 12.928 -24.063 0.098 100 2HB LYS 13 2HB LYS 13 13.982 -23.422 -1.182 101 1HG LYS 13 1HG LYS 13 15.903 -24.032 0.528 102 2HG LYS 13 2HG LYS 13 14.674 -25.029 1.299 103 1HD LYS 13 1HD LYS 13 14.474 -26.435 -0.578 104 2HD LYS 13 2HD LYS 13 15.223 -25.240 -1.672 105 1HE LYS 13 1HE LYS 13 17.341 -25.372 -0.474 106 2HE LYS 13 2HE LYS 13 16.643 -26.493 0.706 107 1HZ LYS 13 1HZ LYS 13 17.909 -27.662 -1.031 108 2HZ LYS 13 2HZ LYS 13 16.339 -28.091 -1.061 109 3HZ LYS 13 3HZ LYS 13 16.932 -27.075 -2.203 110 H ASP 14 H ASP 14 15.273 -23.213 2.566 111 HA ASP 14 HA ASP 14 13.270 -23.488 4.510 112 1HB ASP 14 1HB ASP 14 15.544 -23.654 5.961 113 2HB ASP 14 2HB ASP 14 14.831 -24.954 5.055 114 H SER 15 H SER 15 14.552 -20.567 3.516 115 HA SER 15 HA SER 15 14.985 -19.014 5.801 116 1HB SER 15 1HB SER 15 13.522 -18.152 3.363 117 2HB SER 15 2HB SER 15 14.341 -17.163 4.596 118 HG SER 15 HG SER 15 15.374 -18.700 2.555 119 HA PRO 16 HA PRO 16 10.810 -19.512 7.514 120 1HB PRO 16 1HB PRO 16 11.276 -18.878 10.100 121 2HB PRO 16 2HB PRO 16 11.785 -20.442 9.409 122 1HG PRO 16 1HG PRO 16 13.462 -17.971 9.868 123 2HG PRO 16 2HG PRO 16 13.855 -19.684 10.220 124 1HD PRO 16 1HD PRO 16 14.682 -18.315 7.929 125 2HD PRO 16 2HD PRO 16 14.462 -20.083 8.019 126 H ILE 17 H ILE 17 9.296 -17.949 7.370 127 HA ILE 17 HA ILE 17 9.826 -15.353 6.701 128 HB ILE 17 HB ILE 17 7.782 -16.685 6.349 129 1HG1 ILE 17 1HG1 ILE 17 6.897 -14.060 7.485 130 2HG1 ILE 17 2HG1 ILE 17 7.987 -14.127 6.096 131 1HG2 ILE 17 1HG2 ILE 17 7.073 -16.072 9.216 132 2HG2 ILE 17 2HG2 ILE 17 5.960 -16.695 7.982 133 3HG2 ILE 17 3HG2 ILE 17 7.357 -17.666 8.473 134 1HD1 ILE 17 1HD1 ILE 17 5.243 -15.387 6.218 135 2HD1 ILE 17 2HD1 ILE 17 5.731 -13.957 5.279 136 3HD1 ILE 17 3HD1 ILE 17 6.383 -15.562 4.867 137 H SER 18 H SER 18 10.052 -13.416 7.677 138 HA SER 18 HA SER 18 10.342 -13.213 10.618 139 1HB SER 18 1HB SER 18 12.025 -12.131 8.912 140 2HB SER 18 2HB SER 18 10.713 -10.976 8.620 141 HG SER 18 HG SER 18 12.185 -11.491 11.035 142 H GLU 19 H GLU 19 9.231 -11.042 11.462 143 HA GLU 19 HA GLU 19 6.505 -11.161 10.433 144 1HB GLU 19 1HB GLU 19 6.795 -11.346 12.820 145 2HB GLU 19 2HB GLU 19 7.673 -9.819 12.886 146 1HG GLU 19 1HG GLU 19 5.803 -8.583 12.039 147 2HG GLU 19 2HG GLU 19 4.911 -10.102 11.655 148 H HIS 20 H HIS 20 9.091 -8.761 10.980 149 HA HIS 20 HA HIS 20 7.166 -6.637 10.133 150 1HB HIS 20 1HB HIS 20 9.769 -6.106 11.563 151 2HB HIS 20 2HB HIS 20 8.262 -5.239 11.628 152 HD1 HIS 20 1HD HIS 20 10.292 -8.059 13.225 153 HD2 HIS 20 2HD HIS 20 6.493 -6.185 13.590 154 HE1 HIS 20 1HE HIS 20 9.308 -8.785 15.468 155 HE2 HIS 20 2HE HIS 20 6.972 -7.736 15.646 156 H PHE 21 H PHE 21 7.479 -7.074 7.947 157 HA PHE 21 HA PHE 21 9.554 -7.197 6.285 158 1HB PHE 21 1HB PHE 21 7.238 -6.987 5.554 159 2HB PHE 21 2HB PHE 21 7.174 -5.317 6.077 160 HD1 PHE 21 1HD PHE 21 8.316 -3.528 4.835 161 HD2 PHE 21 2HD PHE 21 8.394 -7.620 3.436 162 HE1 PHE 21 1HE PHE 21 9.188 -2.762 2.616 163 HE2 PHE 21 2HE PHE 21 9.296 -6.835 1.266 164 HZ PHE 21 HZ PHE 21 9.718 -4.446 0.901 165 H GLY 22 H GLY 22 8.609 -4.033 7.776 166 1HA GLY 22 1HA GLY 22 10.448 -2.458 6.355 167 2HA GLY 22 2HA GLY 22 9.721 -2.041 7.900 168 H ARG 23 H ARG 23 11.244 -4.744 8.812 169 HA ARG 23 HA ARG 23 14.035 -3.931 8.810 170 1HB ARG 23 1HB ARG 23 14.260 -4.208 11.268 171 2HB ARG 23 2HB ARG 23 13.402 -2.749 10.810 172 1HG ARG 23 1HG ARG 23 11.624 -5.069 11.299 173 2HG ARG 23 2HG ARG 23 12.584 -4.666 12.693 174 1HD ARG 23 1HD ARG 23 10.985 -2.592 11.156 175 2HD ARG 23 2HD ARG 23 10.301 -3.530 12.504 176 HE ARG 23 HE ARG 23 12.674 -2.408 13.460 177 1HH1 ARG 23 2HH2 ARG 23 9.529 -1.254 12.314 178 2HH1 ARG 23 1HH2 ARG 23 9.374 -0.088 13.583 179 1HH2 ARG 23 2HH1 ARG 23 12.709 -0.529 14.738 180 2HH2 ARG 23 1HH1 ARG 23 11.461 0.661 14.641 181 H ALA 24 H ALA 24 12.951 -5.853 7.314 182 HA ALA 24 HA ALA 24 13.301 -8.469 8.640 183 1HB ALA 24 1HB ALA 24 13.075 -7.711 5.686 184 2HB ALA 24 2HB ALA 24 12.963 -9.339 6.384 185 3HB ALA 24 3HB ALA 24 11.717 -8.125 6.751 186 HA PRO 25 HA PRO 25 17.744 -7.879 7.797 187 1HB PRO 25 1HB PRO 25 18.694 -10.421 8.164 188 2HB PRO 25 2HB PRO 25 18.280 -9.309 9.480 189 1HG PRO 25 1HG PRO 25 16.582 -11.510 8.333 190 2HG PRO 25 2HG PRO 25 16.852 -11.065 10.042 191 1HD PRO 25 1HD PRO 25 14.614 -10.304 8.686 192 2HD PRO 25 2HD PRO 25 15.379 -9.252 9.917 193 H TYR 26 H TYR 26 15.805 -10.183 5.929 194 HA TYR 26 HA TYR 26 17.503 -9.686 3.578 195 1HB TYR 26 1HB TYR 26 16.648 -12.472 4.409 196 2HB TYR 26 2HB TYR 26 17.610 -12.066 3.033 197 HD1 TYR 26 1HD TYR 26 20.057 -11.692 3.299 198 HD2 TYR 26 2HD TYR 26 17.528 -12.526 6.681 199 HE1 TYR 26 1HE TYR 26 22.062 -12.088 4.699 200 HE2 TYR 26 2HE TYR 26 19.534 -12.861 8.106 201 HH TYR 26 HH TYR 26 21.864 -12.524 8.227 202 H PHE 27 H PHE 27 16.295 -10.245 1.608 203 HA PHE 27 HA PHE 27 13.361 -10.518 1.942 204 1HB PHE 27 1HB PHE 27 14.884 -8.602 0.136 205 2HB PHE 27 2HB PHE 27 13.267 -9.004 -0.141 206 HD1 PHE 27 1HD PHE 27 12.140 -9.044 2.741 207 HD2 PHE 27 2HD PHE 27 14.520 -6.247 0.505 208 HE1 PHE 27 1HE PHE 27 11.179 -7.186 4.023 209 HE2 PHE 27 2HE PHE 27 13.493 -4.370 1.729 210 HZ PHE 27 HZ PHE 27 11.815 -4.845 3.534 211 H ALA 28 H ALA 28 13.014 -12.523 1.329 212 HA ALA 28 HA ALA 28 14.501 -13.897 -0.829 213 1HB ALA 28 1HB ALA 28 13.895 -15.169 1.183 214 2HB ALA 28 2HB ALA 28 12.194 -14.727 0.986 215 3HB ALA 28 3HB ALA 28 12.998 -15.759 -0.217 216 H PHE 29 H PHE 29 13.942 -12.353 -2.476 217 HA PHE 29 HA PHE 29 11.153 -12.167 -3.385 218 1HB PHE 29 1HB PHE 29 13.722 -10.882 -3.998 219 2HB PHE 29 2HB PHE 29 12.780 -11.245 -5.416 220 HD1 PHE 29 1HD PHE 29 13.586 -8.528 -3.826 221 HD2 PHE 29 2HD PHE 29 9.956 -10.727 -4.562 222 HE1 PHE 29 1HE PHE 29 12.224 -6.403 -3.821 223 HE2 PHE 29 2HE PHE 29 8.609 -8.683 -4.234 224 HZ PHE 29 HZ PHE 29 9.723 -6.513 -3.960 225 H VAL 30 H VAL 30 10.456 -14.195 -3.853 226 HA VAL 30 HA VAL 30 12.072 -15.981 -5.591 227 HB VAL 30 HB VAL 30 9.188 -16.371 -4.653 228 1HG1 VAL 30 1HG1 VAL 30 9.953 -18.818 -4.750 229 2HG1 VAL 30 2HG1 VAL 30 9.831 -18.001 -6.294 230 3HG1 VAL 30 3HG1 VAL 30 11.423 -18.235 -5.550 231 1HG2 VAL 30 1HG2 VAL 30 10.108 -17.718 -2.758 232 2HG2 VAL 30 2HG2 VAL 30 11.707 -17.009 -3.060 233 3HG2 VAL 30 3HG2 VAL 30 10.343 -15.986 -2.573 234 H LYS 31 H LYS 31 10.976 -16.799 -7.651 235 HA LYS 31 HA LYS 31 9.278 -14.647 -8.878 236 1HB LYS 31 1HB LYS 31 11.343 -16.411 -10.257 237 2HB LYS 31 2HB LYS 31 10.352 -15.133 -11.000 238 1HG LYS 31 1HG LYS 31 11.383 -13.543 -9.279 239 2HG LYS 31 2HG LYS 31 12.530 -14.812 -8.890 240 1HD LYS 31 1HD LYS 31 13.555 -13.225 -10.318 241 2HD LYS 31 2HD LYS 31 13.422 -14.768 -11.158 242 1HE LYS 31 1HE LYS 31 11.590 -13.946 -12.521 243 2HE LYS 31 2HE LYS 31 11.588 -12.395 -11.651 244 1HZ LYS 31 1HZ LYS 31 13.615 -11.823 -12.555 245 2HZ LYS 31 2HZ LYS 31 14.034 -13.346 -12.950 246 3HZ LYS 31 3HZ LYS 31 12.869 -12.544 -13.838 247 H VAL 32 H VAL 32 8.363 -15.806 -11.025 248 HA VAL 32 HA VAL 32 7.820 -18.580 -10.618 249 HB VAL 32 HB VAL 32 5.932 -17.468 -9.342 250 1HG1 VAL 32 1HG1 VAL 32 5.831 -15.436 -10.822 251 2HG1 VAL 32 2HG1 VAL 32 4.941 -16.418 -12.014 252 3HG1 VAL 32 3HG1 VAL 32 4.262 -16.147 -10.396 253 1HG2 VAL 32 1HG2 VAL 32 4.027 -18.634 -10.369 254 2HG2 VAL 32 2HG2 VAL 32 4.999 -18.974 -11.811 255 3HG2 VAL 32 3HG2 VAL 32 5.458 -19.652 -10.230 256 H LYS 33 H LYS 33 7.414 -19.512 -12.634 257 HA LYS 33 HA LYS 33 7.380 -17.868 -15.126 258 1HB LYS 33 1HB LYS 33 9.604 -18.861 -14.946 259 2HB LYS 33 2HB LYS 33 8.918 -20.380 -14.376 260 1HG LYS 33 1HG LYS 33 9.535 -20.963 -16.446 261 2HG LYS 33 2HG LYS 33 7.857 -20.573 -16.749 262 1HD LYS 33 1HD LYS 33 10.148 -18.582 -17.195 263 2HD LYS 33 2HD LYS 33 9.639 -19.763 -18.399 264 1HE LYS 33 1HE LYS 33 7.247 -18.822 -18.093 265 2HE LYS 33 2HE LYS 33 8.027 -17.453 -17.280 266 1HZ LYS 33 1HZ LYS 33 8.500 -18.365 -20.060 267 2HZ LYS 33 2HZ LYS 33 7.738 -16.994 -19.596 268 3HZ LYS 33 3HZ LYS 33 9.327 -17.120 -19.315 269 H ASN 34 H ASN 34 5.316 -18.220 -15.896 270 HA ASN 34 HA ASN 34 3.206 -18.990 -16.001 271 1HB ASN 34 1HB ASN 34 4.203 -20.485 -17.547 272 2HB ASN 34 2HB ASN 34 4.721 -21.589 -16.286 273 1HD2 ASN 34 1HD2 ASN 34 3.362 -23.267 -15.749 274 2HD2 ASN 34 2HD2 ASN 34 1.774 -23.443 -16.500 275 H ASN 35 H ASN 35 4.204 -21.874 -14.119 276 HA ASN 35 HA ASN 35 2.582 -20.928 -11.807 277 1HB ASN 35 1HB ASN 35 2.182 -23.297 -13.529 278 2HB ASN 35 2HB ASN 35 1.772 -23.388 -11.815 279 1HD2 ASN 35 1HD2 ASN 35 -0.190 -22.278 -11.105 280 2HD2 ASN 35 2HD2 ASN 35 -1.212 -21.427 -12.244 281 H ALA 36 H ALA 36 5.617 -21.677 -12.621 282 HA ALA 36 HA ALA 36 6.011 -23.294 -10.186 283 1HB ALA 36 1HB ALA 36 7.523 -23.449 -12.840 284 2HB ALA 36 2HB ALA 36 7.985 -24.326 -11.377 285 3HB ALA 36 3HB ALA 36 6.440 -24.692 -12.181 286 H ILE 37 H ILE 37 8.136 -22.836 -9.110 287 HA ILE 37 HA ILE 37 8.402 -20.177 -8.473 288 HB ILE 37 HB ILE 37 10.094 -22.622 -8.048 289 1HG1 ILE 37 1HG1 ILE 37 9.795 -21.957 -5.638 290 2HG1 ILE 37 2HG1 ILE 37 8.864 -20.565 -6.170 291 1HG2 ILE 37 1HG2 ILE 37 11.724 -21.359 -6.612 292 2HG2 ILE 37 2HG2 ILE 37 11.936 -21.087 -8.330 293 3HG2 ILE 37 3HG2 ILE 37 11.135 -19.858 -7.333 294 1HD1 ILE 37 1HD1 ILE 37 8.147 -23.502 -6.595 295 2HD1 ILE 37 2HD1 ILE 37 7.462 -22.445 -5.364 296 3HD1 ILE 37 3HD1 ILE 37 7.130 -22.113 -7.073 297 H ALA 38 H ALA 38 9.972 -21.680 -11.131 298 HA ALA 38 HA ALA 38 11.593 -21.150 -12.626 299 1HB ALA 38 1HB ALA 38 9.980 -19.116 -12.778 300 2HB ALA 38 2HB ALA 38 11.263 -18.206 -12.018 301 3HB ALA 38 3HB ALA 38 11.559 -19.031 -13.581 302 H ASP 39 H ASP 39 12.052 -18.953 -9.760 303 HA ASP 39 HA ASP 39 14.945 -19.366 -9.767 304 1HB ASP 39 1HB ASP 39 14.057 -17.710 -11.695 305 2HB ASP 39 2HB ASP 39 13.796 -16.629 -10.331 306 H ILE 40 H ILE 40 15.957 -17.918 -8.094 307 HA ILE 40 HA ILE 40 14.146 -16.928 -5.956 308 HB ILE 40 HB ILE 40 16.446 -18.903 -5.784 309 1HG1 ILE 40 1HG1 ILE 40 13.970 -19.714 -6.192 310 2HG1 ILE 40 2HG1 ILE 40 15.040 -20.556 -5.101 311 1HG2 ILE 40 1HG2 ILE 40 15.141 -17.435 -3.456 312 2HG2 ILE 40 2HG2 ILE 40 16.191 -18.863 -3.305 313 3HG2 ILE 40 3HG2 ILE 40 16.835 -17.379 -3.981 314 1HD1 ILE 40 1HD1 ILE 40 13.152 -18.477 -3.994 315 2HD1 ILE 40 2HD1 ILE 40 12.594 -20.119 -4.342 316 3HD1 ILE 40 3HD1 ILE 40 13.909 -19.872 -3.184 317 H SER 41 H SER 41 14.893 -14.918 -5.159 318 HA SER 41 HA SER 41 17.793 -14.349 -5.166 319 1HB SER 41 1HB SER 41 15.385 -12.668 -5.970 320 2HB SER 41 2HB SER 41 16.785 -11.925 -5.242 321 HG SER 41 HG SER 41 17.977 -13.107 -7.033 322 H VAL 42 H VAL 42 17.835 -15.259 -2.934 323 HA VAL 42 HA VAL 42 16.397 -13.513 -0.997 324 HB VAL 42 HB VAL 42 18.237 -15.758 -0.240 325 1HG1 VAL 42 1HG1 VAL 42 17.730 -14.116 1.501 326 2HG1 VAL 42 2HG1 VAL 42 15.998 -14.299 1.214 327 3HG1 VAL 42 3HG1 VAL 42 16.925 -15.656 1.871 328 1HG2 VAL 42 1HG2 VAL 42 16.177 -17.136 0.185 329 2HG2 VAL 42 2HG2 VAL 42 15.294 -16.013 -0.861 330 3HG2 VAL 42 3HG2 VAL 42 16.653 -16.952 -1.499 331 H GLU 43 H GLU 43 17.271 -11.622 -1.270 332 HA GLU 43 HA GLU 43 20.242 -11.323 -1.233 333 1HB GLU 43 1HB GLU 43 18.022 -9.347 -1.959 334 2HB GLU 43 2HB GLU 43 19.747 -9.044 -2.072 335 1HG GLU 43 1HG GLU 43 19.149 -11.428 -3.634 336 2HG GLU 43 2HG GLU 43 17.974 -10.186 -4.024 337 H GLU 44 H GLU 44 21.177 -9.895 0.293 338 HA GLU 44 HA GLU 44 20.067 -9.592 2.866 339 1HB GLU 44 1HB GLU 44 22.213 -8.033 1.318 340 2HB GLU 44 2HB GLU 44 21.866 -7.879 3.034 341 1HG GLU 44 1HG GLU 44 23.597 -9.320 3.115 342 2HG GLU 44 2HG GLU 44 22.214 -10.415 3.197 343 H ASN 45 H ASN 45 19.293 -7.748 3.915 344 HA ASN 45 HA ASN 45 17.810 -5.815 2.245 345 1HB ASN 45 1HB ASN 45 17.191 -6.823 4.638 346 2HB ASN 45 2HB ASN 45 18.248 -5.543 5.218 347 1HD2 ASN 45 1HD2 ASN 45 15.157 -6.279 4.582 348 2HD2 ASN 45 2HD2 ASN 45 14.488 -4.768 3.996 349 HA PRO 46 HA PRO 46 21.600 -3.240 2.539 350 1HB PRO 46 1HB PRO 46 20.682 -0.902 1.443 351 2HB PRO 46 2HB PRO 46 21.075 -2.350 0.478 352 1HG PRO 46 1HG PRO 46 18.348 -1.455 1.443 353 2HG PRO 46 2HG PRO 46 18.834 -1.989 -0.204 354 1HD PRO 46 1HD PRO 46 17.633 -3.667 1.593 355 2HD PRO 46 2HD PRO 46 18.879 -4.257 0.460 356 H LEU 47 H LEU 47 18.638 -2.931 4.188 357 HA LEU 47 HA LEU 47 19.540 -0.679 5.952 358 1HB LEU 47 1HB LEU 47 17.133 -0.956 4.251 359 2HB LEU 47 2HB LEU 47 17.173 0.145 5.634 360 HG LEU 47 HG LEU 47 19.343 0.412 3.553 361 1HD1 LEU 47 1HD1 LEU 47 17.983 2.044 2.475 362 2HD1 LEU 47 2HD1 LEU 47 17.222 0.419 2.431 363 3HD1 LEU 47 3HD1 LEU 47 16.646 1.641 3.600 364 1HD2 LEU 47 1HD2 LEU 47 19.571 1.581 5.764 365 2HD2 LEU 47 2HD2 LEU 47 19.318 2.715 4.410 366 3HD2 LEU 47 3HD2 LEU 47 17.972 2.311 5.498 367 H ALA 48 H ALA 48 19.447 -3.562 6.749 368 HA ALA 48 HA ALA 48 16.832 -4.505 7.373 369 1HB ALA 48 1HB ALA 48 18.854 -5.975 7.260 370 2HB ALA 48 2HB ALA 48 19.538 -5.155 8.671 371 3HB ALA 48 3HB ALA 48 18.047 -6.097 8.828 372 H GLN 49 H GLN 49 19.114 -2.606 9.203 373 HA GLN 49 HA GLN 49 17.316 -1.764 11.275 374 1HB GLN 49 1HB GLN 49 18.661 -4.352 11.667 375 2HB GLN 49 2HB GLN 49 19.171 -3.226 12.896 376 1HG GLN 49 1HG GLN 49 16.229 -3.678 12.328 377 2HG GLN 49 2HG GLN 49 17.170 -4.709 13.420 378 1HE2 GLN 49 1HE2 GLN 49 17.340 -4.038 15.574 379 2HE2 GLN 49 2HE2 GLN 49 17.477 -2.343 16.023 380 H ASP 50 H ASP 50 18.385 -0.038 9.917 381 HA ASP 50 HA ASP 50 21.124 0.685 10.849 382 1HB ASP 50 1HB ASP 50 21.389 -0.892 8.989 383 2HB ASP 50 2HB ASP 50 20.318 0.065 7.979 384 H HIS 51 H HIS 51 20.133 2.213 7.914 385 HA HIS 51 HA HIS 51 20.090 4.703 9.094 386 1HB HIS 51 1HB HIS 51 20.232 3.826 6.577 387 2HB HIS 51 2HB HIS 51 18.543 4.340 6.538 388 HD1 HIS 51 1HD HIS 51 21.370 5.549 5.186 389 HD2 HIS 51 2HD HIS 51 18.890 7.164 8.219 390 HE1 HIS 51 1HE HIS 51 21.766 8.119 5.227 391 HE2 HIS 51 2HE HIS 51 20.285 9.046 7.140 392 H VAL 52 H VAL 52 17.326 2.591 8.640 393 HA VAL 52 HA VAL 52 15.088 2.799 8.819 394 HB VAL 52 HB VAL 52 15.802 4.471 11.232 395 1HG1 VAL 52 1HG1 VAL 52 13.677 3.570 12.146 396 2HG1 VAL 52 2HG1 VAL 52 13.380 4.586 10.730 397 3HG1 VAL 52 3HG1 VAL 52 13.321 2.810 10.581 398 1HG2 VAL 52 1HG2 VAL 52 16.994 2.300 11.246 399 2HG2 VAL 52 2HG2 VAL 52 15.688 2.295 12.425 400 3HG2 VAL 52 3HG2 VAL 52 15.478 1.459 10.880 401 H HIS 53 H HIS 53 14.768 3.782 6.825 402 HA HIS 53 HA HIS 53 13.236 6.203 7.117 403 1HB HIS 53 1HB HIS 53 15.928 6.457 6.080 404 2HB HIS 53 2HB HIS 53 14.831 6.705 4.725 405 HD1 HIS 53 1HD HIS 53 14.501 7.780 8.451 406 HD2 HIS 53 2HD HIS 53 14.549 9.333 4.505 407 HE1 HIS 53 1HE HIS 53 13.963 10.289 8.619 408 HE2 HIS 53 2HE HIS 53 14.087 11.253 6.250 409 H GLY 54 H GLY 54 12.418 6.750 4.607 410 1HA GLY 54 1HA GLY 54 10.872 4.474 3.825 411 2HA GLY 54 2HA GLY 54 10.987 6.027 3.017 412 H ALA 55 H ALA 55 13.987 4.217 3.540 413 HA ALA 55 HA ALA 55 14.261 3.958 0.621 414 1HB ALA 55 1HB ALA 55 16.235 3.907 2.915 415 2HB ALA 55 2HB ALA 55 16.643 3.732 1.196 416 3HB ALA 55 3HB ALA 55 15.917 5.241 1.763 417 H VAL 56 H VAL 56 13.900 1.858 3.446 418 HA VAL 56 HA VAL 56 14.892 -0.586 2.412 419 HB VAL 56 HB VAL 56 12.779 0.224 4.370 420 1HG1 VAL 56 1HG1 VAL 56 12.785 -2.598 3.270 421 2HG1 VAL 56 2HG1 VAL 56 12.054 -2.120 4.806 422 3HG1 VAL 56 3HG1 VAL 56 11.408 -1.473 3.302 423 1HG2 VAL 56 1HG2 VAL 56 13.980 -1.212 5.867 424 2HG2 VAL 56 2HG2 VAL 56 14.934 -1.871 4.537 425 3HG2 VAL 56 3HG2 VAL 56 15.100 -0.157 4.988 426 HA PRO 57 HA PRO 57 10.857 -1.129 -0.096 427 1HB PRO 57 1HB PRO 57 9.209 1.035 -0.460 428 2HB PRO 57 2HB PRO 57 9.011 -0.239 0.811 429 1HG PRO 57 1HG PRO 57 9.921 2.581 1.079 430 2HG PRO 57 2HG PRO 57 9.168 1.504 2.300 431 1HD PRO 57 1HD PRO 57 11.906 2.135 1.909 432 2HD PRO 57 2HD PRO 57 11.270 0.994 3.070 433 H ASN 58 H ASN 58 12.382 2.135 -0.268 434 HA ASN 58 HA ASN 58 12.045 2.533 -3.014 435 1HB ASN 58 1HB ASN 58 12.949 4.199 -1.363 436 2HB ASN 58 2HB ASN 58 14.515 3.382 -1.518 437 1HD2 ASN 58 1HD2 ASN 58 15.792 3.796 -3.526 438 2HD2 ASN 58 2HD2 ASN 58 15.099 4.823 -4.761 439 H PHE 59 H PHE 59 14.508 0.614 -1.308 440 HA PHE 59 HA PHE 59 16.027 -0.273 -3.546 441 1HB PHE 59 1HB PHE 59 16.988 -0.636 -1.458 442 2HB PHE 59 2HB PHE 59 15.515 -1.256 -0.750 443 HD1 PHE 59 1HD PHE 59 15.331 -3.548 -0.353 444 HD2 PHE 59 2HD PHE 59 17.981 -2.174 -3.471 445 HE1 PHE 59 1HE PHE 59 16.209 -5.882 -0.694 446 HE2 PHE 59 2HE PHE 59 18.783 -4.479 -3.808 447 HZ PHE 59 HZ PHE 59 17.882 -6.340 -2.392 448 H VAL 60 H VAL 60 13.379 -2.131 -1.846 449 HA VAL 60 HA VAL 60 13.390 -4.106 -3.859 450 HB VAL 60 HB VAL 60 11.079 -4.694 -2.878 451 1HG1 VAL 60 1HG1 VAL 60 13.363 -5.694 -2.149 452 2HG1 VAL 60 2HG1 VAL 60 13.376 -4.514 -0.875 453 3HG1 VAL 60 3HG1 VAL 60 12.067 -5.745 -0.935 454 1HG2 VAL 60 1HG2 VAL 60 11.824 -2.824 -0.693 455 2HG2 VAL 60 2HG2 VAL 60 10.632 -2.410 -1.988 456 3HG2 VAL 60 3HG2 VAL 60 10.339 -3.777 -0.936 457 H LYS 61 H LYS 61 11.701 -1.081 -3.919 458 HA LYS 61 HA LYS 61 10.035 -1.662 -6.209 459 1HB LYS 61 1HB LYS 61 11.096 0.930 -5.049 460 2HB LYS 61 2HB LYS 61 10.021 0.849 -6.451 461 1HG LYS 61 1HG LYS 61 8.155 -0.038 -5.100 462 2HG LYS 61 2HG LYS 61 9.240 -0.221 -3.724 463 1HD LYS 61 1HD LYS 61 8.045 1.738 -3.304 464 2HD LYS 61 2HD LYS 61 9.621 2.310 -3.840 465 1HE LYS 61 1HE LYS 61 7.166 2.032 -5.652 466 2HE LYS 61 2HE LYS 61 7.546 3.504 -4.746 467 1HZ LYS 61 1HZ LYS 61 8.378 3.823 -6.889 468 2HZ LYS 61 2HZ LYS 61 9.691 3.527 -5.959 469 3HZ LYS 61 3HZ LYS 61 9.135 2.385 -6.983 470 H GLU 62 H GLU 62 13.483 -1.239 -6.075 471 HA GLU 62 HA GLU 62 13.528 -0.834 -9.006 472 1HB GLU 62 1HB GLU 62 15.623 -0.118 -8.758 473 2HB GLU 62 2HB GLU 62 15.184 0.081 -7.088 474 1HG GLU 62 1HG GLU 62 17.087 -0.985 -6.749 475 2HG GLU 62 2HG GLU 62 16.085 -2.418 -6.815 476 H LYS 63 H LYS 63 13.328 -3.371 -6.639 477 HA LYS 63 HA LYS 63 14.729 -5.348 -8.286 478 1HB LYS 63 1HB LYS 63 13.150 -5.645 -5.716 479 2HB LYS 63 2HB LYS 63 14.198 -6.877 -6.396 480 1HG LYS 63 1HG LYS 63 15.125 -4.167 -5.392 481 2HG LYS 63 2HG LYS 63 15.242 -5.659 -4.501 482 1HD LYS 63 1HD LYS 63 16.577 -5.287 -7.229 483 2HD LYS 63 2HD LYS 63 17.307 -4.775 -5.722 484 1HE LYS 63 1HE LYS 63 17.326 -7.038 -4.817 485 2HE LYS 63 2HE LYS 63 16.196 -7.573 -6.057 486 1HZ LYS 63 1HZ LYS 63 18.317 -6.839 -7.540 487 2HZ LYS 63 2HZ LYS 63 19.028 -7.457 -6.158 488 3HZ LYS 63 3HZ LYS 63 17.998 -8.353 -7.031 489 H GLY 64 H GLY 64 12.620 -4.157 -9.575 490 1HA GLY 64 1HA GLY 64 11.047 -4.684 -11.164 491 2HA GLY 64 2HA GLY 64 11.898 -6.224 -11.137 492 H ALA 65 H ALA 65 10.038 -5.397 -8.293 493 HA ALA 65 HA ALA 65 8.906 -7.958 -8.540 494 1HB ALA 65 1HB ALA 65 9.843 -6.912 -6.489 495 2HB ALA 65 2HB ALA 65 8.421 -5.864 -6.391 496 3HB ALA 65 3HB ALA 65 8.250 -7.643 -6.224 497 H GLU 66 H GLU 66 6.547 -8.307 -7.417 498 HA GLU 66 HA GLU 66 4.507 -6.698 -8.791 499 1HB GLU 66 1HB GLU 66 5.295 -9.466 -9.563 500 2HB GLU 66 2HB GLU 66 3.560 -9.117 -9.404 501 1HG GLU 66 1HG GLU 66 3.675 -7.315 -11.004 502 2HG GLU 66 2HG GLU 66 5.445 -7.495 -11.108 503 H LEU 67 H LEU 67 5.122 -9.738 -6.829 504 HA LEU 67 HA LEU 67 2.803 -8.971 -5.178 505 1HB LEU 67 1HB LEU 67 2.411 -11.112 -6.377 506 2HB LEU 67 2HB LEU 67 3.937 -11.751 -5.781 507 HG LEU 67 HG LEU 67 2.973 -11.668 -3.442 508 1HD1 LEU 67 1HD1 LEU 67 0.573 -11.382 -3.151 509 2HD1 LEU 67 2HD1 LEU 67 1.180 -9.939 -3.916 510 3HD1 LEU 67 3HD1 LEU 67 0.343 -11.155 -4.898 511 1HD2 LEU 67 1HD2 LEU 67 1.370 -13.553 -3.806 512 2HD2 LEU 67 2HD2 LEU 67 1.539 -13.269 -5.559 513 3HD2 LEU 67 3HD2 LEU 67 2.927 -13.762 -4.577 514 H VAL 68 H VAL 68 3.018 -9.300 -2.916 515 HA VAL 68 HA VAL 68 5.680 -9.868 -1.771 516 HB VAL 68 HB VAL 68 3.801 -7.733 -0.679 517 1HG1 VAL 68 1HG1 VAL 68 6.810 -7.851 -0.490 518 2HG1 VAL 68 2HG1 VAL 68 5.677 -6.973 0.551 519 3HG1 VAL 68 3HG1 VAL 68 5.777 -8.751 0.634 520 1HG2 VAL 68 1HG2 VAL 68 4.287 -6.828 -2.871 521 2HG2 VAL 68 2HG2 VAL 68 5.259 -5.962 -1.688 522 3HG2 VAL 68 3HG2 VAL 68 6.015 -7.216 -2.711 523 H ILE 69 H ILE 69 5.444 -11.254 0.068 524 HA ILE 69 HA ILE 69 2.721 -11.846 1.029 525 HB ILE 69 HB ILE 69 4.841 -13.878 0.269 526 1HG1 ILE 69 1HG1 ILE 69 1.981 -13.527 -0.748 527 2HG1 ILE 69 2HG1 ILE 69 3.428 -13.026 -1.615 528 1HG2 ILE 69 1HG2 ILE 69 2.916 -15.434 1.083 529 2HG2 ILE 69 2HG2 ILE 69 3.934 -14.693 2.293 530 3HG2 ILE 69 3HG2 ILE 69 2.299 -14.041 1.953 531 1HD1 ILE 69 1HD1 ILE 69 4.208 -15.446 -1.539 532 2HD1 ILE 69 2HD1 ILE 69 2.581 -15.869 -1.006 533 3HD1 ILE 69 3HD1 ILE 69 2.801 -15.092 -2.570 534 H VAL 70 H VAL 70 2.738 -11.160 3.042 535 HA VAL 70 HA VAL 70 5.267 -11.212 4.648 536 HB VAL 70 HB VAL 70 4.463 -8.845 5.314 537 1HG1 VAL 70 1HG1 VAL 70 6.411 -8.845 4.073 538 2HG1 VAL 70 2HG1 VAL 70 5.681 -9.598 2.660 539 3HG1 VAL 70 3HG1 VAL 70 5.360 -7.907 3.007 540 1HG2 VAL 70 1HG2 VAL 70 2.990 -7.642 3.875 541 2HG2 VAL 70 2HG2 VAL 70 2.973 -8.931 2.655 542 3HG2 VAL 70 3HG2 VAL 70 2.166 -9.162 4.209 543 H ARG 71 H ARG 71 5.000 -11.046 6.968 544 HA ARG 71 HA ARG 71 2.480 -12.335 7.797 545 1HB ARG 71 1HB ARG 71 4.736 -13.252 8.241 546 2HB ARG 71 2HB ARG 71 5.018 -11.935 9.359 547 1HG ARG 71 1HG ARG 71 3.288 -12.699 10.847 548 2HG ARG 71 2HG ARG 71 2.570 -13.694 9.579 549 1HD ARG 71 1HD ARG 71 4.790 -15.010 9.583 550 2HD ARG 71 2HD ARG 71 5.131 -14.273 11.127 551 HE ARG 71 HE ARG 71 2.766 -15.904 10.373 552 1HH1 ARG 71 2HH2 ARG 71 4.477 -14.440 13.137 553 2HH1 ARG 71 1HH2 ARG 71 3.960 -15.667 14.247 554 1HH2 ARG 71 2HH1 ARG 71 1.795 -17.214 11.989 555 2HH2 ARG 71 1HH1 ARG 71 2.362 -17.199 13.611 556 H GLY 72 H GLY 72 4.511 -9.714 9.262 557 1HA GLY 72 1HA GLY 72 2.105 -8.741 10.640 558 2HA GLY 72 2HA GLY 72 3.761 -8.257 10.925 559 H ILE 73 H ILE 73 4.671 -7.328 8.702 560 HA ILE 73 HA ILE 73 5.130 -5.400 7.891 561 HB ILE 73 HB ILE 73 3.894 -6.672 6.088 562 1HG1 ILE 73 1HG1 ILE 73 3.646 -3.766 5.354 563 2HG1 ILE 73 2HG1 ILE 73 5.216 -4.378 5.855 564 1HG2 ILE 73 1HG2 ILE 73 1.507 -6.313 6.750 565 2HG2 ILE 73 2HG2 ILE 73 1.653 -4.601 6.337 566 3HG2 ILE 73 3HG2 ILE 73 1.812 -5.842 5.087 567 1HD1 ILE 73 1HD1 ILE 73 3.533 -5.438 3.555 568 2HD1 ILE 73 2HD1 ILE 73 4.974 -4.446 3.433 569 3HD1 ILE 73 3HD1 ILE 73 5.120 -6.077 4.090 570 H GLY 74 H GLY 74 3.547 -3.068 6.878 571 1HA GLY 74 1HA GLY 74 2.042 -1.876 8.896 572 2HA GLY 74 2HA GLY 74 3.733 -1.385 9.114 573 H ARG 75 H ARG 75 1.914 0.538 8.467 574 HA ARG 75 HA ARG 75 1.080 0.656 5.836 575 1HB ARG 75 1HB ARG 75 -0.011 1.874 7.623 576 2HB ARG 75 2HB ARG 75 1.368 2.933 7.793 577 1HG ARG 75 1HG ARG 75 -0.403 4.083 6.617 578 2HG ARG 75 2HG ARG 75 0.978 3.896 5.560 579 1HD ARG 75 1HD ARG 75 -0.390 3.072 3.995 580 2HD ARG 75 2HD ARG 75 -0.608 1.641 4.980 581 HE ARG 75 HE ARG 75 -2.634 2.418 5.871 582 1HH1 ARG 75 2HH2 ARG 75 -1.511 4.613 3.220 583 2HH1 ARG 75 1HH2 ARG 75 -2.898 5.604 3.346 584 1HH2 ARG 75 2HH1 ARG 75 -4.468 3.539 5.784 585 2HH2 ARG 75 1HH1 ARG 75 -4.737 4.825 4.659 586 H ARG 76 H ARG 76 4.236 1.924 6.976 587 HA ARG 76 HA ARG 76 4.636 3.579 4.609 588 1HB ARG 76 1HB ARG 76 6.039 3.855 6.653 589 2HB ARG 76 2HB ARG 76 6.703 2.248 6.414 590 1HG ARG 76 1HG ARG 76 8.360 3.733 5.617 591 2HG ARG 76 2HG ARG 76 7.652 3.033 4.182 592 1HD ARG 76 1HD ARG 76 7.913 5.334 3.684 593 2HD ARG 76 2HD ARG 76 6.190 5.156 4.021 594 HE ARG 76 HE ARG 76 8.031 5.928 6.228 595 1HH1 ARG 76 2HH2 ARG 76 5.846 7.306 3.740 596 2HH1 ARG 76 1HH2 ARG 76 5.113 8.401 4.816 597 1HH2 ARG 76 2HH1 ARG 76 7.339 7.697 7.540 598 2HH2 ARG 76 1HH1 ARG 76 6.426 8.948 6.800 599 H ALA 77 H ALA 77 5.095 0.112 5.284 600 HA ALA 77 HA ALA 77 6.521 -0.333 2.763 601 1HB ALA 77 1HB ALA 77 6.304 -2.676 3.335 602 2HB ALA 77 2HB ALA 77 6.895 -1.755 4.744 603 3HB ALA 77 3HB ALA 77 5.200 -2.266 4.676 604 H ILE 78 H ILE 78 3.024 -0.849 3.941 605 HA ILE 78 HA ILE 78 2.034 -1.669 1.559 606 HB ILE 78 HB ILE 78 1.063 -0.073 3.875 607 1HG1 ILE 78 1HG1 ILE 78 -0.482 -1.763 4.147 608 2HG1 ILE 78 2HG1 ILE 78 -0.335 -2.363 2.489 609 1HG2 ILE 78 1HG2 ILE 78 -0.615 -0.173 1.356 610 2HG2 ILE 78 2HG2 ILE 78 -1.235 0.198 2.962 611 3HG2 ILE 78 3HG2 ILE 78 -0.054 1.275 2.207 612 1HD1 ILE 78 1HD1 ILE 78 1.677 -2.676 4.740 613 2HD1 ILE 78 2HD1 ILE 78 0.576 -3.923 4.098 614 3HD1 ILE 78 3HD1 ILE 78 1.888 -3.309 3.081 615 H ALA 79 H ALA 79 2.900 1.747 2.476 616 HA ALA 79 HA ALA 79 1.972 2.970 0.118 617 1HB ALA 79 1HB ALA 79 4.270 3.894 1.865 618 2HB ALA 79 2HB ALA 79 3.329 4.872 0.744 619 3HB ALA 79 3HB ALA 79 2.534 4.191 2.168 620 H ALA 80 H ALA 80 4.580 0.767 0.244 621 HA ALA 80 HA ALA 80 6.159 1.915 -1.937 622 1HB ALA 80 1HB ALA 80 6.296 -0.869 -0.692 623 2HB ALA 80 2HB ALA 80 7.540 -0.038 -1.639 624 3HB ALA 80 3HB ALA 80 7.066 0.538 -0.003 625 H PHE 81 H PHE 81 4.384 -1.108 -1.401 626 HA PHE 81 HA PHE 81 3.600 -2.042 -3.827 627 1HB PHE 81 1HB PHE 81 2.633 -3.214 -2.163 628 2HB PHE 81 2HB PHE 81 2.576 -1.803 -1.181 629 HD1 PHE 81 1HD PHE 81 0.594 -2.239 -0.014 630 HD2 PHE 81 2HD PHE 81 0.465 -2.020 -4.308 631 HE1 PHE 81 1HE PHE 81 -1.840 -1.993 0.066 632 HE2 PHE 81 2HE PHE 81 -1.965 -1.619 -4.216 633 HZ PHE 81 HZ PHE 81 -3.134 -1.600 -2.039 634 H GLU 82 H GLU 82 1.959 0.487 -1.985 635 HA GLU 82 HA GLU 82 0.096 0.921 -3.955 636 1HB GLU 82 1HB GLU 82 1.145 2.828 -1.803 637 2HB GLU 82 2HB GLU 82 -0.316 3.152 -2.658 638 1HG GLU 82 1HG GLU 82 -0.387 0.457 -1.482 639 2HG GLU 82 2HG GLU 82 0.000 1.712 -0.285 640 H ALA 83 H ALA 83 3.395 1.936 -4.171 641 HA ALA 83 HA ALA 83 2.702 4.257 -5.847 642 1HB ALA 83 1HB ALA 83 5.286 2.669 -5.669 643 2HB ALA 83 2HB ALA 83 5.076 4.224 -6.482 644 3HB ALA 83 3HB ALA 83 4.956 4.144 -4.716 645 H MET 84 H MET 84 3.025 0.776 -6.134 646 HA MET 84 HA MET 84 2.954 1.053 -9.135 647 1HB MET 84 1HB MET 84 4.589 -0.964 -9.039 648 2HB MET 84 2HB MET 84 5.154 0.685 -8.829 649 1HG MET 84 1HG MET 84 5.352 0.415 -6.448 650 2HG MET 84 2HG MET 84 4.540 -1.140 -6.497 651 1HE MET 84 1HE MET 84 7.287 0.085 -9.087 652 2HE MET 84 2HE MET 84 7.804 0.847 -7.576 653 3HE MET 84 3HE MET 84 8.768 -0.469 -8.299 654 H GLY 85 H GLY 85 0.976 0.317 -6.896 655 1HA GLY 85 1HA GLY 85 -0.775 -1.214 -6.620 656 2HA GLY 85 2HA GLY 85 -0.605 -1.579 -8.349 657 H VAL 86 H VAL 86 1.930 -2.119 -5.922 658 HA VAL 86 HA VAL 86 2.213 -4.868 -7.033 659 HB VAL 86 HB VAL 86 3.959 -2.984 -5.511 660 1HG1 VAL 86 1HG1 VAL 86 4.459 -5.960 -5.262 661 2HG1 VAL 86 2HG1 VAL 86 5.697 -4.710 -5.079 662 3HG1 VAL 86 3HG1 VAL 86 4.310 -4.741 -3.977 663 1HG2 VAL 86 1HG2 VAL 86 4.069 -3.199 -7.932 664 2HG2 VAL 86 2HG2 VAL 86 5.571 -3.802 -7.224 665 3HG2 VAL 86 3HG2 VAL 86 4.341 -4.931 -7.799 666 H LYS 87 H LYS 87 0.963 -6.476 -6.280 667 HA LYS 87 HA LYS 87 -0.858 -6.185 -4.205 668 1HB LYS 87 1HB LYS 87 -1.087 -7.665 -6.117 669 2HB LYS 87 2HB LYS 87 0.224 -8.668 -5.548 670 1HG LYS 87 1HG LYS 87 -1.383 -9.933 -4.593 671 2HG LYS 87 2HG LYS 87 -1.476 -8.702 -3.351 672 1HD LYS 87 1HD LYS 87 -3.664 -8.985 -3.920 673 2HD LYS 87 2HD LYS 87 -3.256 -7.598 -4.929 674 1HE LYS 87 1HE LYS 87 -2.698 -10.205 -6.234 675 2HE LYS 87 2HE LYS 87 -4.349 -10.120 -5.680 676 1HZ LYS 87 1HZ LYS 87 -4.162 -9.325 -7.930 677 2HZ LYS 87 2HZ LYS 87 -4.582 -8.051 -6.988 678 3HZ LYS 87 3HZ LYS 87 -3.038 -8.204 -7.533 679 H VAL 88 H VAL 88 -0.895 -6.649 -2.055 680 HA VAL 88 HA VAL 88 1.539 -7.900 -0.911 681 HB VAL 88 HB VAL 88 -0.148 -5.747 0.454 682 1HG1 VAL 88 1HG1 VAL 88 1.150 -7.328 1.932 683 2HG1 VAL 88 2HG1 VAL 88 2.644 -6.799 1.130 684 3HG1 VAL 88 3HG1 VAL 88 1.662 -5.641 2.052 685 1HG2 VAL 88 1HG2 VAL 88 2.499 -5.463 -1.029 686 2HG2 VAL 88 2HG2 VAL 88 0.950 -4.688 -1.400 687 3HG2 VAL 88 3HG2 VAL 88 1.797 -4.239 0.070 688 H ILE 89 H ILE 89 0.800 -9.969 -0.653 689 HA ILE 89 HA ILE 89 -1.830 -10.481 0.619 690 HB ILE 89 HB ILE 89 0.263 -12.111 -0.832 691 1HG1 ILE 89 1HG1 ILE 89 -2.785 -11.891 -1.005 692 2HG1 ILE 89 2HG1 ILE 89 -1.652 -10.972 -1.982 693 1HG2 ILE 89 1HG2 ILE 89 -0.954 -14.205 -0.176 694 2HG2 ILE 89 2HG2 ILE 89 -0.076 -13.447 1.169 695 3HG2 ILE 89 3HG2 ILE 89 -1.818 -13.250 1.039 696 1HD1 ILE 89 1HD1 ILE 89 -0.797 -13.176 -2.886 697 2HD1 ILE 89 2HD1 ILE 89 -2.192 -13.942 -2.086 698 3HD1 ILE 89 3HD1 ILE 89 -2.447 -12.707 -3.339 699 H LYS 90 H LYS 90 -2.044 -11.251 2.735 700 HA LYS 90 HA LYS 90 0.411 -10.946 4.344 701 1HB LYS 90 1HB LYS 90 -2.226 -9.574 4.844 702 2HB LYS 90 2HB LYS 90 -0.911 -9.611 5.988 703 1HG LYS 90 1HG LYS 90 -0.063 -7.732 5.056 704 2HG LYS 90 2HG LYS 90 0.225 -8.648 3.580 705 1HD LYS 90 1HD LYS 90 -0.992 -6.872 2.790 706 2HD LYS 90 2HD LYS 90 -2.188 -8.128 2.963 707 1HE LYS 90 1HE LYS 90 -3.328 -6.419 3.858 708 2HE LYS 90 2HE LYS 90 -2.582 -7.025 5.343 709 1HZ LYS 90 1HZ LYS 90 -2.436 -4.697 5.210 710 2HZ LYS 90 2HZ LYS 90 -0.933 -5.202 5.017 711 3HZ LYS 90 3HZ LYS 90 -1.832 -4.692 3.683 712 H GLY 91 H GLY 91 0.390 -12.016 6.409 713 1HA GLY 91 1HA GLY 91 -0.701 -13.206 8.156 714 2HA GLY 91 2HA GLY 91 -1.941 -13.750 7.035 715 H ALA 92 H ALA 92 1.304 -14.108 5.832 716 HA ALA 92 HA ALA 92 0.954 -16.994 5.725 717 1HB ALA 92 1HB ALA 92 3.146 -16.915 4.574 718 2HB ALA 92 2HB ALA 92 2.012 -15.733 3.898 719 3HB ALA 92 3HB ALA 92 3.302 -15.188 4.983 720 H SER 93 H SER 93 2.562 -18.577 6.629 721 HA SER 93 HA SER 93 4.311 -17.746 8.746 722 1HB SER 93 1HB SER 93 3.143 -19.013 10.514 723 2HB SER 93 2HB SER 93 2.228 -17.614 9.947 724 HG SER 93 HG SER 93 1.764 -20.323 9.592 725 H GLY 94 H GLY 94 5.987 -19.196 8.649 726 1HA GLY 94 1HA GLY 94 6.467 -21.730 8.620 727 2HA GLY 94 2HA GLY 94 5.587 -21.721 7.092 728 H THR 95 H THR 95 7.048 -21.806 5.405 729 HA THR 95 HA THR 95 9.656 -20.410 5.607 730 HB THR 95 HB THR 95 10.513 -22.536 4.400 731 HG1 THR 95 1HG THR 95 8.229 -23.701 5.648 732 1HG2 THR 95 1HG2 THR 95 9.683 -22.859 7.286 733 2HG2 THR 95 2HG2 THR 95 11.009 -23.710 6.426 734 3HG2 THR 95 3HG2 THR 95 11.115 -21.958 6.710 735 H VAL 96 H VAL 96 10.758 -20.207 3.384 736 HA VAL 96 HA VAL 96 8.891 -18.784 1.872 737 HB VAL 96 HB VAL 96 11.766 -19.627 1.365 738 1HG1 VAL 96 1HG1 VAL 96 11.187 -19.447 -0.875 739 2HG1 VAL 96 2HG1 VAL 96 9.941 -18.235 -0.563 740 3HG1 VAL 96 3HG1 VAL 96 11.650 -17.780 -0.499 741 1HG2 VAL 96 1HG2 VAL 96 11.300 -17.930 3.059 742 2HG2 VAL 96 2HG2 VAL 96 12.208 -17.271 1.695 743 3HG2 VAL 96 3HG2 VAL 96 10.465 -16.937 1.844 744 H GLU 97 H GLU 97 10.430 -21.938 1.152 745 HA GLU 97 HA GLU 97 9.209 -22.311 -1.432 746 1HB GLU 97 1HB GLU 97 9.734 -24.655 -1.197 747 2HB GLU 97 2HB GLU 97 11.102 -23.629 -0.825 748 1HG GLU 97 1HG GLU 97 11.015 -24.105 1.482 749 2HG GLU 97 2HG GLU 97 9.326 -24.575 1.455 750 H GLU 98 H GLU 98 7.800 -22.373 1.611 751 HA GLU 98 HA GLU 98 5.570 -24.136 0.776 752 1HB GLU 98 1HB GLU 98 6.854 -24.566 2.907 753 2HB GLU 98 2HB GLU 98 6.239 -23.011 3.488 754 1HG GLU 98 1HG GLU 98 3.881 -24.166 2.637 755 2HG GLU 98 2HG GLU 98 4.829 -25.610 3.026 756 H VAL 99 H VAL 99 6.193 -20.805 2.209 757 HA VAL 99 HA VAL 99 3.705 -19.702 1.979 758 HB VAL 99 HB VAL 99 6.419 -18.557 1.066 759 1HG1 VAL 99 1HG1 VAL 99 4.735 -17.164 0.062 760 2HG1 VAL 99 2HG1 VAL 99 3.839 -17.176 1.605 761 3HG1 VAL 99 3HG1 VAL 99 5.409 -16.323 1.462 762 1HG2 VAL 99 1HG2 VAL 99 6.525 -17.452 3.203 763 2HG2 VAL 99 2HG2 VAL 99 4.878 -18.005 3.605 764 3HG2 VAL 99 3HG2 VAL 99 6.209 -19.156 3.519 765 H VAL 100 H VAL 100 6.037 -20.168 -0.662 766 HA VAL 100 HA VAL 100 4.392 -18.947 -2.662 767 HB VAL 100 HB VAL 100 6.796 -20.817 -2.804 768 1HG1 VAL 100 1HG1 VAL 100 5.577 -21.001 -4.949 769 2HG1 VAL 100 2HG1 VAL 100 5.377 -19.241 -5.019 770 3HG1 VAL 100 3HG1 VAL 100 6.984 -19.948 -5.193 771 1HG2 VAL 100 1HG2 VAL 100 6.427 -17.785 -3.184 772 2HG2 VAL 100 2HG2 VAL 100 7.251 -18.567 -1.833 773 3HG2 VAL 100 3HG2 VAL 100 7.944 -18.650 -3.455 774 H ASN 101 H ASN 101 4.640 -22.305 -1.456 775 HA ASN 101 HA ASN 101 2.844 -23.367 -3.453 776 1HB ASN 101 1HB ASN 101 4.244 -24.900 -2.156 777 2HB ASN 101 2HB ASN 101 3.451 -24.409 -0.654 778 1HD2 ASN 101 1HD2 ASN 101 3.173 -26.458 -3.482 779 2HD2 ASN 101 2HD2 ASN 101 1.570 -27.062 -3.115 780 H GLN 102 H GLN 102 2.364 -22.102 -0.107 781 HA GLN 102 HA GLN 102 -0.381 -22.690 0.060 782 1HB GLN 102 1HB GLN 102 1.033 -20.293 1.305 783 2HB GLN 102 2HB GLN 102 -0.559 -20.911 1.740 784 1HG GLN 102 1HG GLN 102 0.915 -23.161 2.138 785 2HG GLN 102 2HG GLN 102 2.180 -21.973 2.371 786 1HE2 GLN 102 1HE2 GLN 102 2.471 -22.404 4.691 787 2HE2 GLN 102 2HE2 GLN 102 1.192 -22.001 5.796 788 H TYR 103 H TYR 103 1.180 -19.864 -1.396 789 HA TYR 103 HA TYR 103 -1.226 -18.411 -2.075 790 1HB TYR 103 1HB TYR 103 0.781 -17.276 -1.884 791 2HB TYR 103 2HB TYR 103 1.699 -18.385 -2.867 792 HD1 TYR 103 1HD TYR 103 1.936 -18.098 -5.229 793 HD2 TYR 103 2HD TYR 103 -0.956 -15.728 -3.039 794 HE1 TYR 103 1HE TYR 103 1.589 -16.730 -7.203 795 HE2 TYR 103 2HE TYR 103 -1.232 -14.286 -5.077 796 HH TYR 103 HH TYR 103 0.468 -15.062 -8.127 797 H LEU 104 H LEU 104 0.937 -20.632 -3.928 798 HA LEU 104 HA LEU 104 -0.586 -20.358 -6.378 799 1HB LEU 104 1HB LEU 104 1.412 -22.450 -5.386 800 2HB LEU 104 2HB LEU 104 0.627 -22.538 -6.962 801 HG LEU 104 HG LEU 104 2.447 -20.285 -6.038 802 1HD1 LEU 104 1HD1 LEU 104 3.659 -22.354 -6.521 803 2HD1 LEU 104 2HD1 LEU 104 2.857 -22.478 -8.099 804 3HD1 LEU 104 3HD1 LEU 104 3.989 -21.149 -7.770 805 1HD2 LEU 104 1HD2 LEU 104 0.876 -19.276 -7.506 806 2HD2 LEU 104 2HD2 LEU 104 2.345 -19.560 -8.457 807 3HD2 LEU 104 3HD2 LEU 104 0.936 -20.637 -8.635 808 H SER 105 H SER 105 -0.833 -22.362 -3.526 809 HA SER 105 HA SER 105 -2.851 -24.164 -4.513 810 1HB SER 105 1HB SER 105 -1.750 -23.474 -1.761 811 2HB SER 105 2HB SER 105 -2.978 -24.714 -2.036 812 HG SER 105 HG SER 105 -0.481 -25.157 -2.140 813 H GLY 106 H GLY 106 -3.015 -20.863 -3.845 814 1HA GLY 106 1HA GLY 106 -4.870 -19.584 -4.302 815 2HA GLY 106 2HA GLY 106 -5.923 -20.989 -4.092 816 H GLN 107 H GLN 107 -4.006 -21.027 -1.388 817 HA GLN 107 HA GLN 107 -6.395 -20.396 0.172 818 1HB GLN 107 1HB GLN 107 -3.572 -21.051 1.094 819 2HB GLN 107 2HB GLN 107 -5.040 -21.148 2.075 820 1HG GLN 107 1HG GLN 107 -4.471 -22.912 -0.355 821 2HG GLN 107 2HG GLN 107 -4.043 -23.312 1.297 822 1HE2 GLN 107 1HE2 GLN 107 -5.322 -25.153 1.419 823 2HE2 GLN 107 2HE2 GLN 107 -7.074 -25.116 1.396 824 H LEU 108 H LEU 108 -3.209 -19.043 -0.372 825 HA LEU 108 HA LEU 108 -3.319 -17.199 1.850 826 1HB LEU 108 1HB LEU 108 -1.356 -18.410 0.378 827 2HB LEU 108 2HB LEU 108 -1.325 -16.835 -0.360 828 HG LEU 108 HG LEU 108 -0.866 -15.846 1.881 829 1HD1 LEU 108 1HD1 LEU 108 -0.170 -17.333 3.743 830 2HD1 LEU 108 2HD1 LEU 108 -1.880 -17.556 3.393 831 3HD1 LEU 108 3HD1 LEU 108 -0.700 -18.747 2.817 832 1HD2 LEU 108 1HD2 LEU 108 1.440 -16.896 2.018 833 2HD2 LEU 108 2HD2 LEU 108 0.889 -18.100 0.849 834 3HD2 LEU 108 3HD2 LEU 108 0.926 -16.394 0.383 835 H LYS 109 H LYS 109 -3.757 -15.050 1.793 836 HA LYS 109 HA LYS 109 -4.241 -13.657 -0.690 837 1HB LYS 109 1HB LYS 109 -6.231 -15.305 -0.208 838 2HB LYS 109 2HB LYS 109 -6.765 -14.100 0.947 839 1HG LYS 109 1HG LYS 109 -7.332 -12.588 -0.706 840 2HG LYS 109 2HG LYS 109 -5.958 -13.020 -1.719 841 1HD LYS 109 1HD LYS 109 -7.714 -13.726 -2.997 842 2HD LYS 109 2HD LYS 109 -7.133 -15.234 -2.252 843 1HE LYS 109 1HE LYS 109 -8.963 -15.273 -0.702 844 2HE LYS 109 2HE LYS 109 -9.351 -13.565 -0.988 845 1HZ LYS 109 1HZ LYS 109 -10.902 -14.955 -2.101 846 2HZ LYS 109 2HZ LYS 109 -10.027 -14.119 -3.208 847 3HZ LYS 109 3HZ LYS 109 -9.737 -15.729 -2.975 848 H ASP 110 H ASP 110 -5.716 -11.575 -0.182 849 HA ASP 110 HA ASP 110 -4.171 -10.148 1.850 850 1HB ASP 110 1HB ASP 110 -4.060 -8.349 0.167 851 2HB ASP 110 2HB ASP 110 -3.423 -9.821 -0.512 852 H SER 111 H SER 111 -7.044 -11.170 1.793 853 HA SER 111 HA SER 111 -9.212 -10.487 2.255 854 1HB SER 111 1HB SER 111 -7.607 -10.347 4.222 855 2HB SER 111 2HB SER 111 -7.774 -8.579 4.084 856 HG SER 111 HG SER 111 -9.673 -8.703 4.955 857 H ASP 112 H ASP 112 -9.408 -7.459 3.310 858 HA ASP 112 HA ASP 112 -9.901 -6.122 0.699 859 1HB ASP 112 1HB ASP 112 -11.874 -7.495 1.298 860 2HB ASP 112 2HB ASP 112 -11.982 -6.694 2.860 861 H TYR 113 H TYR 113 -8.940 -4.135 0.958 862 HA TYR 113 HA TYR 113 -8.956 -2.856 3.616 863 1HB TYR 113 1HB TYR 113 -7.216 -4.716 3.483 864 2HB TYR 113 2HB TYR 113 -6.418 -3.809 2.205 865 HD1 TYR 113 1HD TYR 113 -7.568 -3.530 5.770 866 HD2 TYR 113 2HD TYR 113 -4.670 -2.308 2.826 867 HE1 TYR 113 1HE TYR 113 -6.301 -2.340 7.518 868 HE2 TYR 113 2HE TYR 113 -3.372 -1.149 4.567 869 HH TYR 113 HH TYR 113 -3.972 -1.607 7.947 870 H GLU 114 H GLU 114 -9.698 -2.051 0.773 871 HA GLU 114 HA GLU 114 -7.892 0.320 0.543 872 1HB GLU 114 1HB GLU 114 -8.809 -1.585 -1.599 873 2HB GLU 114 2HB GLU 114 -8.205 0.029 -1.984 874 1HG GLU 114 1HG GLU 114 -6.079 -0.343 -0.974 875 2HG GLU 114 2HG GLU 114 -6.607 -1.854 -0.204 876 H VAL 115 H VAL 115 -10.308 0.288 1.949 877 HA VAL 115 HA VAL 115 -12.395 1.681 0.835 878 HB VAL 115 HB VAL 115 -12.594 2.755 3.075 879 1HG1 VAL 115 1HG1 VAL 115 -13.427 0.419 2.550 880 2HG1 VAL 115 2HG1 VAL 115 -11.957 -0.212 3.316 881 3HG1 VAL 115 3HG1 VAL 115 -13.121 0.754 4.251 882 1HG2 VAL 115 1HG2 VAL 115 -10.256 3.074 3.715 883 2HG2 VAL 115 2HG2 VAL 115 -11.058 2.024 4.893 884 3HG2 VAL 115 3HG2 VAL 115 -9.958 1.323 3.703 885 H HIS 116 H HIS 116 -12.831 3.714 0.190 886 HA HIS 116 HA HIS 116 -10.478 5.411 -0.437 887 1HB HIS 116 1HB HIS 116 -11.672 5.822 -2.573 888 2HB HIS 116 2HB HIS 116 -11.159 4.171 -2.321 889 HD1 HIS 116 1HD HIS 116 -14.355 6.273 -2.619 890 HD2 HIS 116 2HD HIS 116 -12.997 2.260 -2.348 891 HE1 HIS 116 1HE HIS 116 -16.298 4.753 -3.359 892 HE2 HIS 116 2HE HIS 116 -15.422 2.336 -3.289 893 H ASP 117 H ASP 117 -11.908 5.895 1.954 894 HA ASP 117 HA ASP 117 -13.487 8.355 1.387 895 1HB ASP 117 1HB ASP 117 -14.620 7.873 3.417 896 2HB ASP 117 2HB ASP 117 -14.548 6.334 2.530 897 H HIS 118 H HIS 118 -10.624 7.100 3.006 898 HA HIS 118 HA HIS 118 -10.129 9.636 4.477 899 1HB HIS 118 1HB HIS 118 -11.288 8.208 5.976 900 2HB HIS 118 2HB HIS 118 -10.381 6.807 5.484 901 HD1 HIS 118 1HD HIS 118 -8.222 6.289 6.775 902 HD2 HIS 118 2HD HIS 118 -10.034 9.996 7.648 903 HE1 HIS 118 1HE HIS 118 -7.086 7.200 8.933 904 HE2 HIS 118 2HE HIS 118 -8.244 9.449 9.453 905 H HIS 119 H HIS 119 -7.862 9.911 5.018 906 HA HIS 119 HA HIS 119 -5.902 7.992 4.430 907 1HB HIS 119 1HB HIS 119 -4.625 9.155 2.691 908 2HB HIS 119 2HB HIS 119 -6.132 8.519 2.124 909 HD1 HIS 119 1HD HIS 119 -8.140 11.067 2.585 910 HD2 HIS 119 2HD HIS 119 -4.284 10.876 0.822 911 HE1 HIS 119 1HE HIS 119 -8.050 12.846 0.824 912 HE2 HIS 119 2HE HIS 119 -5.748 12.735 -0.268 913 H HIS 120 H HIS 120 -3.585 9.606 4.432 914 HA HIS 120 HA HIS 120 -3.932 11.439 6.747 915 1HB HIS 120 1HB HIS 120 -3.317 9.116 7.507 916 2HB HIS 120 2HB HIS 120 -1.882 9.206 6.495 917 HD1 HIS 120 1HD HIS 120 -3.317 11.318 9.469 918 HD2 HIS 120 2HD HIS 120 0.242 9.903 7.672 919 HE1 HIS 120 1HE HIS 120 -1.371 12.104 10.944 920 HE2 HIS 120 2HE HIS 120 0.803 11.236 9.861 921 H HIS 121 H HIS 121 -3.882 12.454 4.361 922 HA HIS 121 HA HIS 121 -2.980 13.221 2.498 923 1HB HIS 121 1HB HIS 121 -0.226 13.166 3.801 924 2HB HIS 121 2HB HIS 121 -0.623 13.826 2.245 925 HD1 HIS 121 1HD HIS 121 -1.198 16.340 2.155 926 HD2 HIS 121 2HD HIS 121 -1.276 14.605 6.020 927 HE1 HIS 121 1HE HIS 121 -1.362 18.264 3.849 928 HE2 HIS 121 2HE HIS 121 -1.373 17.229 6.190 929 H GLU 122 H GLU 122 -1.501 12.388 0.679 930 HA GLU 122 HA GLU 122 -0.946 9.521 0.775 931 1HB GLU 122 1HB GLU 122 -0.429 11.827 -1.135 932 2HB GLU 122 2HB GLU 122 0.379 10.273 -1.362 933 1HG GLU 122 1HG GLU 122 -1.628 9.071 -1.630 934 2HG GLU 122 2HG GLU 122 -2.590 10.352 -0.891 935 H HIS 123 H HIS 123 1.339 12.255 0.256 936 HA HIS 123 HA HIS 123 3.434 12.661 0.902 937 1HB HIS 123 1HB HIS 123 2.830 12.069 3.296 938 2HB HIS 123 2HB HIS 123 3.341 10.431 2.980 939 HD1 HIS 123 1HD HIS 123 6.095 10.277 2.012 940 HD2 HIS 123 2HD HIS 123 4.728 13.791 3.970 941 HE1 HIS 123 1HE HIS 123 8.145 11.583 2.662 942 HE2 HIS 123 2HE HIS 123 7.353 13.717 3.855 943 H HIS 124 H HIS 124 4.640 12.099 -0.809 944 HA HIS 124 HA HIS 124 5.173 9.283 -1.551 945 1HB HIS 124 1HB HIS 124 6.547 11.875 -2.433 946 2HB HIS 124 2HB HIS 124 6.853 10.265 -3.050 947 HD1 HIS 124 1HD HIS 124 4.241 13.067 -3.189 948 HD2 HIS 124 2HD HIS 124 4.976 9.190 -4.756 949 HE1 HIS 124 1HE HIS 124 2.551 12.685 -5.091 950 HE2 HIS 124 2HE HIS 124 3.010 10.325 -6.025 Start of MODEL 2 1 1H MET 1 1H MET 1 -4.540 -9.968 -2.963 2 HA MET 1 HA MET 1 -3.483 -8.017 -4.865 3 1HB MET 1 1HB MET 1 -5.127 -6.558 -4.211 4 2HB MET 1 2HB MET 1 -5.942 -8.093 -4.120 5 1HG MET 1 1HG MET 1 -5.030 -7.760 -1.532 6 2HG MET 1 2HG MET 1 -5.238 -6.094 -2.034 7 1HE MET 1 1HE MET 1 -9.108 -6.042 -2.957 8 2HE MET 1 2HE MET 1 -7.642 -5.049 -2.806 9 3HE MET 1 3HE MET 1 -7.744 -6.304 -4.069 10 H ILE 2 H ILE 2 -2.227 -6.185 -4.217 11 HA ILE 2 HA ILE 2 -0.741 -6.599 -1.678 12 HB ILE 2 HB ILE 2 0.166 -5.240 -4.209 13 1HG1 ILE 2 1HG1 ILE 2 0.678 -8.110 -3.313 14 2HG1 ILE 2 2HG1 ILE 2 -0.260 -7.607 -4.711 15 1HG2 ILE 2 1HG2 ILE 2 1.325 -4.894 -1.831 16 2HG2 ILE 2 2HG2 ILE 2 2.089 -6.413 -2.220 17 3HG2 ILE 2 3HG2 ILE 2 2.274 -5.052 -3.329 18 1HD1 ILE 2 1HD1 ILE 2 1.783 -6.618 -5.731 19 2HD1 ILE 2 2HD1 ILE 2 2.738 -7.293 -4.386 20 3HD1 ILE 2 3HD1 ILE 2 1.848 -8.373 -5.468 21 H ILE 3 H ILE 3 -0.470 -4.805 -0.364 22 HA ILE 3 HA ILE 3 -2.353 -2.529 -0.677 23 HB ILE 3 HB ILE 3 -1.551 -4.217 1.715 24 1HG1 ILE 3 1HG1 ILE 3 -4.419 -3.768 0.878 25 2HG1 ILE 3 2HG1 ILE 3 -3.430 -4.888 -0.052 26 1HG2 ILE 3 1HG2 ILE 3 -3.269 -2.752 2.954 27 2HG2 ILE 3 2HG2 ILE 3 -1.708 -2.015 2.601 28 3HG2 ILE 3 3HG2 ILE 3 -3.098 -1.609 1.595 29 1HD1 ILE 3 1HD1 ILE 3 -3.899 -5.000 2.972 30 2HD1 ILE 3 2HD1 ILE 3 -4.605 -6.079 1.763 31 3HD1 ILE 3 3HD1 ILE 3 -2.860 -6.115 2.062 32 H ALA 4 H ALA 4 -0.999 -0.908 -1.164 33 HA ALA 4 HA ALA 4 1.729 -0.728 0.070 34 1HB ALA 4 1HB ALA 4 0.438 0.690 -2.132 35 2HB ALA 4 2HB ALA 4 1.248 1.808 -1.017 36 3HB ALA 4 3HB ALA 4 2.161 0.500 -1.729 37 H ILE 5 H ILE 5 2.388 0.576 1.707 38 HA ILE 5 HA ILE 5 0.552 2.638 2.715 39 HB ILE 5 HB ILE 5 1.993 0.616 4.475 40 1HG1 ILE 5 1HG1 ILE 5 -0.937 1.238 3.904 41 2HG1 ILE 5 2HG1 ILE 5 -0.089 -0.263 3.511 42 1HG2 ILE 5 1HG2 ILE 5 1.088 1.921 6.364 43 2HG2 ILE 5 2HG2 ILE 5 2.050 2.990 5.369 44 3HG2 ILE 5 3HG2 ILE 5 0.278 3.026 5.235 45 1HD1 ILE 5 1HD1 ILE 5 -0.750 0.675 6.324 46 2HD1 ILE 5 2HD1 ILE 5 -1.586 -0.550 5.375 47 3HD1 ILE 5 3HD1 ILE 5 0.099 -0.826 5.870 48 HA PRO 6 HA PRO 6 4.677 4.619 2.315 49 1HB PRO 6 1HB PRO 6 3.818 7.189 2.739 50 2HB PRO 6 2HB PRO 6 3.680 6.362 1.163 51 1HG PRO 6 1HG PRO 6 1.559 6.798 3.266 52 2HG PRO 6 2HG PRO 6 1.412 6.935 1.487 53 1HD PRO 6 1HD PRO 6 0.662 4.719 2.974 54 2HD PRO 6 2HD PRO 6 1.148 4.622 1.251 55 H VAL 7 H VAL 7 5.790 4.075 4.215 56 HA VAL 7 HA VAL 7 4.569 4.973 6.790 57 HB VAL 7 HB VAL 7 6.121 3.380 7.902 58 1HG1 VAL 7 1HG1 VAL 7 4.166 1.975 6.077 59 2HG1 VAL 7 2HG1 VAL 7 4.700 1.579 7.739 60 3HG1 VAL 7 3HG1 VAL 7 3.688 2.976 7.483 61 1HG2 VAL 7 1HG2 VAL 7 6.807 1.341 6.531 62 2HG2 VAL 7 2HG2 VAL 7 6.650 2.356 5.095 63 3HG2 VAL 7 3HG2 VAL 7 7.787 2.789 6.410 64 H SER 8 H SER 8 5.962 5.754 8.382 65 HA SER 8 HA SER 8 7.746 7.812 7.410 66 1HB SER 8 1HB SER 8 6.590 6.874 10.056 67 2HB SER 8 2HB SER 8 7.909 8.054 10.033 68 HG SER 8 HG SER 8 6.699 9.337 8.658 69 H GLU 9 H GLU 9 8.149 4.613 8.989 70 HA GLU 9 HA GLU 9 11.077 4.810 8.898 71 1HB GLU 9 1HB GLU 9 9.248 4.148 11.237 72 2HB GLU 9 2HB GLU 9 10.985 3.854 11.247 73 1HG GLU 9 1HG GLU 9 11.519 6.056 11.485 74 2HG GLU 9 2HG GLU 9 10.094 6.691 10.685 75 H ASN 10 H ASN 10 11.958 2.610 8.761 76 HA ASN 10 HA ASN 10 9.919 0.520 8.172 77 1HB ASN 10 1HB ASN 10 11.680 0.571 6.487 78 2HB ASN 10 2HB ASN 10 12.924 0.406 7.750 79 1HD2 ASN 10 1HD2 ASN 10 13.042 -1.607 5.891 80 2HD2 ASN 10 2HD2 ASN 10 12.384 -3.063 6.637 81 H ARG 11 H ARG 11 9.116 0.349 10.189 82 HA ARG 11 HA ARG 11 10.965 -1.018 12.098 83 1HB ARG 11 1HB ARG 11 8.339 0.372 12.781 84 2HB ARG 11 2HB ARG 11 9.428 -0.466 13.876 85 1HG ARG 11 1HG ARG 11 11.175 1.340 13.027 86 2HG ARG 11 2HG ARG 11 9.701 2.233 12.599 87 1HD ARG 11 1HD ARG 11 8.840 1.768 14.962 88 2HD ARG 11 2HD ARG 11 10.443 1.137 15.348 89 HE ARG 11 HE ARG 11 10.038 3.941 14.358 90 1HH1 ARG 11 2HH2 ARG 11 11.561 1.855 16.839 91 2HH1 ARG 11 1HH2 ARG 11 12.187 3.231 17.692 92 1HH2 ARG 11 2HH1 ARG 11 10.800 5.555 15.423 93 2HH2 ARG 11 1HH1 ARG 11 11.833 5.457 16.823 94 H GLY 12 H GLY 12 9.869 -2.344 9.760 95 1HA GLY 12 1HA GLY 12 8.332 -3.953 9.068 96 2HA GLY 12 2HA GLY 12 9.214 -4.773 10.332 97 H LYS 13 H LYS 13 6.214 -3.221 9.487 98 HA LYS 13 HA LYS 13 4.046 -3.757 10.029 99 1HB LYS 13 1HB LYS 13 4.855 -5.248 12.487 100 2HB LYS 13 2HB LYS 13 3.363 -5.313 11.656 101 1HG LYS 13 1HG LYS 13 4.226 -6.647 9.864 102 2HG LYS 13 2HG LYS 13 5.889 -6.366 10.327 103 1HD LYS 13 1HD LYS 13 3.895 -7.737 12.160 104 2HD LYS 13 2HD LYS 13 4.961 -8.619 11.032 105 1HE LYS 13 1HE LYS 13 6.945 -7.956 12.126 106 2HE LYS 13 2HE LYS 13 6.194 -6.565 12.869 107 1HZ LYS 13 1HZ LYS 13 5.661 -9.318 13.670 108 2HZ LYS 13 2HZ LYS 13 6.585 -8.207 14.455 109 3HZ LYS 13 3HZ LYS 13 4.946 -7.980 14.335 110 H ASP 14 H ASP 14 6.172 -3.150 12.888 111 HA ASP 14 HA ASP 14 4.261 -1.487 14.261 112 1HB ASP 14 1HB ASP 14 7.280 -1.106 14.357 113 2HB ASP 14 2HB ASP 14 6.098 -0.437 15.430 114 H SER 15 H SER 15 6.214 -1.060 11.458 115 HA SER 15 HA SER 15 6.936 1.422 10.957 116 1HB SER 15 1HB SER 15 5.246 -0.164 9.064 117 2HB SER 15 2HB SER 15 6.516 1.040 8.708 118 HG SER 15 HG SER 15 7.522 -0.834 8.509 119 HA PRO 16 HA PRO 16 3.056 3.662 11.904 120 1HB PRO 16 1HB PRO 16 4.199 6.155 12.249 121 2HB PRO 16 2HB PRO 16 4.104 4.891 13.512 122 1HG PRO 16 1HG PRO 16 6.440 5.628 11.767 123 2HG PRO 16 2HG PRO 16 6.425 5.182 13.501 124 1HD PRO 16 1HD PRO 16 7.099 3.455 11.480 125 2HD PRO 16 2HD PRO 16 6.375 2.924 13.022 126 H ILE 17 H ILE 17 1.683 4.659 10.382 127 HA ILE 17 HA ILE 17 2.578 4.905 7.692 128 HB ILE 17 HB ILE 17 0.212 4.428 8.485 129 1HG1 ILE 17 1HG1 ILE 17 0.323 6.706 6.484 130 2HG1 ILE 17 2HG1 ILE 17 0.903 5.087 6.128 131 1HG2 ILE 17 1HG2 ILE 17 0.138 6.304 10.157 132 2HG2 ILE 17 2HG2 ILE 17 -0.064 7.428 8.796 133 3HG2 ILE 17 3HG2 ILE 17 -1.240 6.112 9.076 134 1HD1 ILE 17 1HD1 ILE 17 -1.948 5.822 6.904 135 2HD1 ILE 17 2HD1 ILE 17 -1.363 5.283 5.319 136 3HD1 ILE 17 3HD1 ILE 17 -1.347 4.159 6.691 137 H SER 18 H SER 18 3.122 6.685 6.489 138 HA SER 18 HA SER 18 4.147 9.059 7.865 139 1HB SER 18 1HB SER 18 5.121 7.742 5.747 140 2HB SER 18 2HB SER 18 3.895 8.702 4.893 141 HG SER 18 HG SER 18 6.061 9.646 6.509 142 H GLU 19 H GLU 19 3.543 11.176 6.450 143 HA GLU 19 HA GLU 19 0.615 11.249 6.851 144 1HB GLU 19 1HB GLU 19 1.558 13.896 6.524 145 2HB GLU 19 2HB GLU 19 0.849 13.073 7.883 146 1HG GLU 19 1HG GLU 19 2.782 14.016 8.755 147 2HG GLU 19 2HG GLU 19 3.245 12.335 8.521 148 H HIS 20 H HIS 20 2.759 11.200 4.418 149 HA HIS 20 HA HIS 20 0.820 12.110 2.297 150 1HB HIS 20 1HB HIS 20 3.760 12.935 2.603 151 2HB HIS 20 2HB HIS 20 2.716 13.464 1.310 152 HD1 HIS 20 1HD HIS 20 0.224 14.556 2.840 153 HD2 HIS 20 2HD HIS 20 4.130 14.701 4.402 154 HE1 HIS 20 1HE HIS 20 0.229 16.308 4.757 155 HE2 HIS 20 2HE HIS 20 2.572 16.389 5.683 156 H PHE 21 H PHE 21 2.108 11.684 0.072 157 HA PHE 21 HA PHE 21 3.102 8.844 0.207 158 1HB PHE 21 1HB PHE 21 0.819 8.920 -0.584 159 2HB PHE 21 2HB PHE 21 1.227 10.185 -1.744 160 HD1 PHE 21 1HD PHE 21 1.577 6.570 -0.949 161 HD2 PHE 21 2HD PHE 21 2.282 9.661 -3.883 162 HE1 PHE 21 1HE PHE 21 2.008 4.850 -2.684 163 HE2 PHE 21 2HE PHE 21 2.523 7.883 -5.667 164 HZ PHE 21 HZ PHE 21 2.449 5.531 -5.020 165 H GLY 22 H GLY 22 3.166 11.941 -1.603 166 1HA GLY 22 1HA GLY 22 4.725 11.091 -3.714 167 2HA GLY 22 2HA GLY 22 4.586 12.761 -3.163 168 H ARG 23 H ARG 23 6.013 11.718 -0.528 169 HA ARG 23 HA ARG 23 8.791 11.292 -1.506 170 1HB ARG 23 1HB ARG 23 9.640 13.097 -0.226 171 2HB ARG 23 2HB ARG 23 8.466 13.762 -1.344 172 1HG ARG 23 1HG ARG 23 7.231 14.645 0.318 173 2HG ARG 23 2HG ARG 23 7.095 13.127 1.155 174 1HD ARG 23 1HD ARG 23 8.405 13.829 2.796 175 2HD ARG 23 2HD ARG 23 9.766 13.996 1.708 176 HE ARG 23 HE ARG 23 8.054 16.073 2.767 177 1HH1 ARG 23 2HH2 ARG 23 10.450 15.427 0.242 178 2HH1 ARG 23 1HH2 ARG 23 10.225 16.964 -0.549 179 1HH2 ARG 23 2HH1 ARG 23 7.674 17.985 1.729 180 2HH2 ARG 23 1HH1 ARG 23 8.628 18.550 0.390 181 H ALA 24 H ALA 24 6.950 9.412 -0.295 182 HA ALA 24 HA ALA 24 7.163 9.447 2.576 183 1HB ALA 24 1HB ALA 24 6.339 7.148 2.471 184 2HB ALA 24 2HB ALA 24 5.409 8.174 1.355 185 3HB ALA 24 3HB ALA 24 6.638 7.057 0.739 186 HA PRO 25 HA PRO 25 11.310 7.905 2.704 187 1HB PRO 25 1HB PRO 25 11.541 6.980 5.260 188 2HB PRO 25 2HB PRO 25 11.594 8.675 4.733 189 1HG PRO 25 1HG PRO 25 9.297 7.122 5.825 190 2HG PRO 25 2HG PRO 25 9.772 8.796 6.244 191 1HD PRO 25 1HD PRO 25 7.730 8.224 4.503 192 2HD PRO 25 2HD PRO 25 8.783 9.651 4.299 193 H TYR 26 H TYR 26 8.633 5.635 3.273 194 HA TYR 26 HA TYR 26 10.223 3.510 2.002 195 1HB TYR 26 1HB TYR 26 8.878 3.249 4.711 196 2HB TYR 26 2HB TYR 26 9.562 1.897 3.807 197 HD1 TYR 26 1HD TYR 26 10.253 4.769 6.014 198 HD2 TYR 26 2HD TYR 26 12.012 1.710 3.545 199 HE1 TYR 26 1HE TYR 26 12.481 5.394 6.859 200 HE2 TYR 26 2HE TYR 26 14.267 2.333 4.352 201 HH TYR 26 HH TYR 26 15.511 3.984 5.578 202 H PHE 27 H PHE 27 8.880 1.959 1.073 203 HA PHE 27 HA PHE 27 5.903 2.314 1.495 204 1HB PHE 27 1HB PHE 27 7.238 1.221 -0.979 205 2HB PHE 27 2HB PHE 27 5.548 1.071 -0.641 206 HD1 PHE 27 1HD PHE 27 7.654 2.892 -2.605 207 HD2 PHE 27 2HD PHE 27 4.520 3.550 0.279 208 HE1 PHE 27 1HE PHE 27 6.982 4.959 -3.794 209 HE2 PHE 27 2HE PHE 27 3.908 5.624 -0.876 210 HZ PHE 27 HZ PHE 27 5.089 6.327 -2.940 211 H ALA 28 H ALA 28 5.238 0.889 2.956 212 HA ALA 28 HA ALA 28 6.138 -1.936 2.907 213 1HB ALA 28 1HB ALA 28 5.754 -0.949 5.125 214 2HB ALA 28 2HB ALA 28 4.114 -0.463 4.641 215 3HB ALA 28 3HB ALA 28 4.527 -2.184 4.770 216 H PHE 29 H PHE 29 5.455 -2.739 0.905 217 HA PHE 29 HA PHE 29 2.575 -2.594 0.257 218 1HB PHE 29 1HB PHE 29 5.057 -3.303 -1.168 219 2HB PHE 29 2HB PHE 29 3.732 -4.395 -1.464 220 HD1 PHE 29 1HD PHE 29 5.297 -1.821 -3.036 221 HD2 PHE 29 2HD PHE 29 1.308 -2.818 -1.735 222 HE1 PHE 29 1HE PHE 29 4.317 -0.517 -4.887 223 HE2 PHE 29 2HE PHE 29 0.374 -1.324 -3.401 224 HZ PHE 29 HZ PHE 29 1.839 -0.188 -5.035 225 H VAL 30 H VAL 30 1.578 -3.683 1.894 226 HA VAL 30 HA VAL 30 2.548 -6.325 2.808 227 HB VAL 30 HB VAL 30 -0.023 -4.835 3.521 228 1HG1 VAL 30 1HG1 VAL 30 -0.157 -7.152 4.231 229 2HG1 VAL 30 2HG1 VAL 30 1.492 -7.105 4.899 230 3HG1 VAL 30 3HG1 VAL 30 0.180 -6.181 5.649 231 1HG2 VAL 30 1HG2 VAL 30 2.774 -4.585 4.690 232 2HG2 VAL 30 2HG2 VAL 30 1.656 -3.300 4.182 233 3HG2 VAL 30 3HG2 VAL 30 1.327 -4.230 5.642 234 H LYS 31 H LYS 31 0.770 -8.175 2.614 235 HA LYS 31 HA LYS 31 -0.658 -7.917 -0.003 236 1HB LYS 31 1HB LYS 31 0.995 -10.269 0.987 237 2HB LYS 31 2HB LYS 31 0.117 -10.172 -0.552 238 1HG LYS 31 1HG LYS 31 1.510 -8.153 -1.126 239 2HG LYS 31 2HG LYS 31 2.479 -8.446 0.323 240 1HD LYS 31 1HD LYS 31 3.019 -10.714 -0.553 241 2HD LYS 31 2HD LYS 31 2.230 -10.274 -2.081 242 1HE LYS 31 1HE LYS 31 3.798 -8.482 -2.498 243 2HE LYS 31 2HE LYS 31 4.388 -8.526 -0.829 244 1HZ LYS 31 1HZ LYS 31 4.778 -10.703 -2.765 245 2HZ LYS 31 2HZ LYS 31 5.940 -9.588 -2.347 246 3HZ LYS 31 3HZ LYS 31 5.351 -10.640 -1.224 247 H VAL 32 H VAL 32 -1.870 -10.426 0.007 248 HA VAL 32 HA VAL 32 -3.031 -10.737 2.641 249 HB VAL 32 HB VAL 32 -4.466 -8.995 1.587 250 1HG1 VAL 32 1HG1 VAL 32 -5.245 -11.101 -0.470 251 2HG1 VAL 32 2HG1 VAL 32 -5.911 -9.481 -0.313 252 3HG1 VAL 32 3HG1 VAL 32 -4.207 -9.687 -0.769 253 1HG2 VAL 32 1HG2 VAL 32 -5.519 -10.399 3.242 254 2HG2 VAL 32 2HG2 VAL 32 -6.672 -10.046 1.959 255 3HG2 VAL 32 3HG2 VAL 32 -5.899 -11.639 2.021 256 H LYS 33 H LYS 33 -3.482 -12.794 3.093 257 HA LYS 33 HA LYS 33 -3.496 -14.785 0.868 258 1HB LYS 33 1HB LYS 33 -1.704 -15.223 2.570 259 2HB LYS 33 2HB LYS 33 -2.901 -15.181 3.826 260 1HG LYS 33 1HG LYS 33 -2.568 -17.464 3.450 261 2HG LYS 33 2HG LYS 33 -4.098 -17.128 2.666 262 1HD LYS 33 1HD LYS 33 -1.493 -17.187 1.111 263 2HD LYS 33 2HD LYS 33 -2.379 -18.657 1.530 264 1HE LYS 33 1HE LYS 33 -4.368 -17.903 0.347 265 2HE LYS 33 2HE LYS 33 -3.583 -16.373 -0.083 266 1HZ LYS 33 1HZ LYS 33 -2.672 -19.040 -0.930 267 2HZ LYS 33 2HZ LYS 33 -3.464 -17.944 -1.872 268 3HZ LYS 33 3HZ LYS 33 -1.943 -17.618 -1.312 269 H ASN 34 H ASN 34 -5.689 -14.759 0.351 270 HA ASN 34 HA ASN 34 -7.893 -14.815 0.505 271 1HB ASN 34 1HB ASN 34 -7.607 -17.046 1.325 272 2HB ASN 34 2HB ASN 34 -7.371 -16.492 2.976 273 1HD2 ASN 34 1HD2 ASN 34 -9.193 -16.041 4.223 274 2HD2 ASN 34 2HD2 ASN 34 -10.845 -15.998 3.617 275 H ASN 35 H ASN 35 -7.478 -14.526 4.088 276 HA ASN 35 HA ASN 35 -8.203 -11.676 3.954 277 1HB ASN 35 1HB ASN 35 -10.315 -13.289 4.344 278 2HB ASN 35 2HB ASN 35 -9.572 -13.377 5.977 279 1HD2 ASN 35 1HD2 ASN 35 -11.932 -12.380 6.319 280 2HD2 ASN 35 2HD2 ASN 35 -11.978 -10.637 6.359 281 H ALA 36 H ALA 36 -5.744 -13.111 4.487 282 HA ALA 36 HA ALA 36 -5.349 -12.287 7.270 283 1HB ALA 36 1HB ALA 36 -5.206 -14.762 7.128 284 2HB ALA 36 2HB ALA 36 -4.013 -14.620 5.806 285 3HB ALA 36 3HB ALA 36 -3.593 -14.088 7.437 286 H ILE 37 H ILE 37 -2.699 -11.736 7.460 287 HA ILE 37 HA ILE 37 -2.274 -9.642 5.676 288 HB ILE 37 HB ILE 37 -1.159 -10.734 8.124 289 1HG1 ILE 37 1HG1 ILE 37 -0.412 -8.356 8.438 290 2HG1 ILE 37 2HG1 ILE 37 -1.024 -8.001 6.816 291 1HG2 ILE 37 1HG2 ILE 37 1.144 -10.065 8.054 292 2HG2 ILE 37 2HG2 ILE 37 0.877 -11.352 6.887 293 3HG2 ILE 37 3HG2 ILE 37 1.043 -9.661 6.340 294 1HD1 ILE 37 1HD1 ILE 37 -2.639 -7.418 8.623 295 2HD1 ILE 37 2HD1 ILE 37 -3.310 -8.672 7.563 296 3HD1 ILE 37 3HD1 ILE 37 -2.645 -9.104 9.158 297 H ALA 38 H ALA 38 -1.344 -12.901 5.257 298 HA ALA 38 HA ALA 38 0.093 -14.059 3.977 299 1HB ALA 38 1HB ALA 38 -0.270 -11.677 2.157 300 2HB ALA 38 2HB ALA 38 0.884 -12.952 1.765 301 3HB ALA 38 3HB ALA 38 -0.825 -13.336 1.943 302 H ASP 39 H ASP 39 1.376 -10.693 3.782 303 HA ASP 39 HA ASP 39 4.138 -11.581 4.353 304 1HB ASP 39 1HB ASP 39 3.473 -12.589 2.141 305 2HB ASP 39 2HB ASP 39 3.102 -10.981 1.560 306 H ILE 40 H ILE 40 5.549 -9.843 4.402 307 HA ILE 40 HA ILE 40 4.465 -7.082 4.101 308 HB ILE 40 HB ILE 40 6.617 -8.274 5.908 309 1HG1 ILE 40 1HG1 ILE 40 4.213 -8.626 6.644 310 2HG1 ILE 40 2HG1 ILE 40 5.292 -7.851 7.789 311 1HG2 ILE 40 1HG2 ILE 40 5.847 -5.340 5.574 312 2HG2 ILE 40 2HG2 ILE 40 6.811 -5.991 6.922 313 3HG2 ILE 40 3HG2 ILE 40 7.429 -6.100 5.280 314 1HD1 ILE 40 1HD1 ILE 40 4.282 -5.691 7.435 315 2HD1 ILE 40 2HD1 ILE 40 3.372 -6.281 6.027 316 3HD1 ILE 40 3HD1 ILE 40 2.971 -6.852 7.654 317 H SER 41 H SER 41 5.373 -5.987 2.366 318 HA SER 41 HA SER 41 8.135 -6.650 1.497 319 1HB SER 41 1HB SER 41 5.917 -7.009 0.028 320 2HB SER 41 2HB SER 41 6.152 -5.307 -0.300 321 HG SER 41 HG SER 41 7.172 -6.692 -1.795 322 H VAL 42 H VAL 42 8.981 -5.177 3.135 323 HA VAL 42 HA VAL 42 8.089 -2.358 2.931 324 HB VAL 42 HB VAL 42 7.921 -3.281 5.115 325 1HG1 VAL 42 1HG1 VAL 42 10.910 -3.785 5.112 326 2HG1 VAL 42 2HG1 VAL 42 9.813 -3.921 6.498 327 3HG1 VAL 42 3HG1 VAL 42 9.636 -5.016 5.122 328 1HG2 VAL 42 1HG2 VAL 42 9.007 -1.531 6.338 329 2HG2 VAL 42 2HG2 VAL 42 10.140 -1.230 5.003 330 3HG2 VAL 42 3HG2 VAL 42 8.410 -0.892 4.800 331 H GLU 43 H GLU 43 8.907 -2.088 0.890 332 HA GLU 43 HA GLU 43 11.824 -2.234 0.480 333 1HB GLU 43 1HB GLU 43 9.788 -0.931 -1.348 334 2HB GLU 43 2HB GLU 43 11.392 -1.519 -1.771 335 1HG GLU 43 1HG GLU 43 9.048 -3.325 -0.985 336 2HG GLU 43 2HG GLU 43 9.434 -2.827 -2.622 337 H GLU 44 H GLU 44 12.998 -0.244 -0.113 338 HA GLU 44 HA GLU 44 12.230 2.135 1.368 339 1HB GLU 44 1HB GLU 44 14.653 1.492 -0.362 340 2HB GLU 44 2HB GLU 44 14.465 2.903 0.704 341 1HG GLU 44 1HG GLU 44 14.077 1.280 2.616 342 2HG GLU 44 2HG GLU 44 14.555 -0.021 1.591 343 H ASN 45 H ASN 45 12.859 4.235 0.112 344 HA ASN 45 HA ASN 45 10.945 4.638 -1.965 345 1HB ASN 45 1HB ASN 45 11.334 6.986 -1.195 346 2HB ASN 45 2HB ASN 45 10.845 5.878 0.075 347 1HD2 ASN 45 1HD2 ASN 45 11.849 8.158 0.913 348 2HD2 ASN 45 2HD2 ASN 45 13.526 7.971 1.473 349 HA PRO 46 HA PRO 46 14.838 4.819 -4.486 350 1HB PRO 46 1HB PRO 46 13.774 4.325 -6.967 351 2HB PRO 46 2HB PRO 46 14.132 3.037 -5.772 352 1HG PRO 46 1HG PRO 46 11.495 4.467 -6.252 353 2HG PRO 46 2HG PRO 46 11.805 2.683 -6.203 354 1HD PRO 46 1HD PRO 46 10.892 3.936 -4.003 355 2HD PRO 46 2HD PRO 46 12.190 2.734 -3.832 356 H LEU 47 H LEU 47 11.834 6.596 -4.880 357 HA LEU 47 HA LEU 47 13.363 8.929 -5.921 358 1HB LEU 47 1HB LEU 47 12.122 8.102 -7.711 359 2HB LEU 47 2HB LEU 47 10.663 7.959 -6.798 360 HG LEU 47 HG LEU 47 10.953 9.799 -8.586 361 1HD1 LEU 47 1HD1 LEU 47 9.941 11.154 -6.127 362 2HD1 LEU 47 2HD1 LEU 47 9.383 11.202 -7.813 363 3HD1 LEU 47 3HD1 LEU 47 9.131 9.773 -6.825 364 1HD2 LEU 47 1HD2 LEU 47 13.029 10.674 -7.825 365 2HD2 LEU 47 2HD2 LEU 47 11.790 11.929 -7.875 366 3HD2 LEU 47 3HD2 LEU 47 12.274 11.220 -6.303 367 H ALA 48 H ALA 48 13.513 8.476 -3.397 368 HA ALA 48 HA ALA 48 11.700 9.921 -1.703 369 1HB ALA 48 1HB ALA 48 13.738 8.395 -1.180 370 2HB ALA 48 2HB ALA 48 14.761 9.771 -1.565 371 3HB ALA 48 3HB ALA 48 13.603 9.897 -0.227 372 H GLN 49 H GLN 49 14.606 10.888 -3.600 373 HA GLN 49 HA GLN 49 13.419 13.546 -4.063 374 1HB GLN 49 1HB GLN 49 16.176 13.199 -2.793 375 2HB GLN 49 2HB GLN 49 15.554 14.700 -3.470 376 1HG GLN 49 1HG GLN 49 13.618 14.542 -1.859 377 2HG GLN 49 2HG GLN 49 14.492 13.236 -1.051 378 1HE2 GLN 49 1HE2 GLN 49 14.594 16.750 -1.852 379 2HE2 GLN 49 2HE2 GLN 49 15.764 17.175 -0.644 380 H ASP 50 H ASP 50 14.657 10.883 -5.561 381 HA ASP 50 HA ASP 50 16.885 11.589 -6.893 382 1HB ASP 50 1HB ASP 50 15.650 9.325 -6.888 383 2HB ASP 50 2HB ASP 50 14.844 9.887 -8.325 384 H HIS 51 H HIS 51 17.205 13.509 -7.769 385 HA HIS 51 HA HIS 51 16.942 15.471 -8.767 386 1HB HIS 51 1HB HIS 51 17.557 13.746 -10.668 387 2HB HIS 51 2HB HIS 51 15.982 14.168 -11.300 388 HD1 HIS 51 1HD HIS 51 18.717 14.863 -12.782 389 HD2 HIS 51 2HD HIS 51 16.537 17.474 -10.255 390 HE1 HIS 51 1HE HIS 51 19.295 17.269 -13.497 391 HE2 HIS 51 2HE HIS 51 17.962 18.836 -11.970 392 H VAL 52 H VAL 52 14.606 14.561 -7.365 393 HA VAL 52 HA VAL 52 12.348 14.512 -7.231 394 HB VAL 52 HB VAL 52 11.434 16.925 -7.194 395 1HG1 VAL 52 1HG1 VAL 52 12.152 15.702 -5.217 396 2HG1 VAL 52 2HG1 VAL 52 13.840 16.197 -5.493 397 3HG1 VAL 52 3HG1 VAL 52 12.604 17.413 -5.120 398 1HG2 VAL 52 1HG2 VAL 52 14.386 17.657 -7.518 399 2HG2 VAL 52 2HG2 VAL 52 13.121 17.975 -8.727 400 3HG2 VAL 52 3HG2 VAL 52 13.046 18.740 -7.131 401 H HIS 53 H HIS 53 12.614 13.299 -9.495 402 HA HIS 53 HA HIS 53 10.910 14.732 -11.468 403 1HB HIS 53 1HB HIS 53 13.485 14.160 -11.778 404 2HB HIS 53 2HB HIS 53 12.879 12.604 -12.252 405 HD1 HIS 53 1HD HIS 53 13.951 13.197 -14.687 406 HD2 HIS 53 2HD HIS 53 10.909 15.815 -13.344 407 HE1 HIS 53 1HE HIS 53 13.259 14.616 -16.686 408 HE2 HIS 53 2HE HIS 53 11.394 16.197 -15.870 409 H GLY 54 H GLY 54 10.205 12.643 -13.191 410 1HA GLY 54 1HA GLY 54 7.858 11.919 -11.636 411 2HA GLY 54 2HA GLY 54 8.108 11.781 -13.379 412 H ALA 55 H ALA 55 9.330 10.236 -10.343 413 HA ALA 55 HA ALA 55 8.838 7.615 -11.714 414 1HB ALA 55 1HB ALA 55 11.307 8.396 -10.172 415 2HB ALA 55 2HB ALA 55 10.879 6.755 -10.678 416 3HB ALA 55 3HB ALA 55 11.145 8.000 -11.904 417 H VAL 56 H VAL 56 8.457 9.176 -8.515 418 HA VAL 56 HA VAL 56 8.655 7.068 -6.959 419 HB VAL 56 HB VAL 56 6.962 9.402 -6.617 420 1HG1 VAL 56 1HG1 VAL 56 4.954 8.057 -6.342 421 2HG1 VAL 56 2HG1 VAL 56 5.825 6.897 -5.306 422 3HG1 VAL 56 3HG1 VAL 56 5.506 8.552 -4.753 423 1HG2 VAL 56 1HG2 VAL 56 9.065 8.407 -5.235 424 2HG2 VAL 56 2HG2 VAL 56 7.818 9.358 -4.409 425 3HG2 VAL 56 3HG2 VAL 56 7.825 7.584 -4.350 426 HA PRO 57 HA PRO 57 4.249 5.367 -7.980 427 1HB PRO 57 1HB PRO 57 3.116 6.545 -10.292 428 2HB PRO 57 2HB PRO 57 2.624 6.840 -8.587 429 1HG PRO 57 1HG PRO 57 3.796 8.694 -10.395 430 2HG PRO 57 2HG PRO 57 3.528 8.894 -8.637 431 1HD PRO 57 1HD PRO 57 6.069 8.171 -10.064 432 2HD PRO 57 2HD PRO 57 5.778 8.951 -8.484 433 H ASN 58 H ASN 58 6.604 6.015 -10.441 434 HA ASN 58 HA ASN 58 5.597 4.178 -12.469 435 1HB ASN 58 1HB ASN 58 7.243 6.209 -12.758 436 2HB ASN 58 2HB ASN 58 8.478 5.072 -12.196 437 1HD2 ASN 58 1HD2 ASN 58 6.827 6.225 -14.932 438 2HD2 ASN 58 2HD2 ASN 58 7.233 4.899 -16.005 439 H PHE 59 H PHE 59 8.122 4.229 -9.934 440 HA PHE 59 HA PHE 59 8.848 1.524 -9.912 441 1HB PHE 59 1HB PHE 59 10.128 3.006 -8.617 442 2HB PHE 59 2HB PHE 59 8.730 3.695 -7.817 443 HD1 PHE 59 1HD PHE 59 10.216 0.249 -8.264 444 HD2 PHE 59 2HD PHE 59 8.391 3.108 -5.575 445 HE1 PHE 59 1HE PHE 59 10.638 -1.271 -6.364 446 HE2 PHE 59 2HE PHE 59 8.844 1.521 -3.670 447 HZ PHE 59 HZ PHE 59 9.929 -0.651 -4.082 448 H VAL 60 H VAL 60 6.376 2.967 -7.601 449 HA VAL 60 HA VAL 60 5.721 0.326 -6.770 450 HB VAL 60 HB VAL 60 3.604 1.450 -5.813 451 1HG1 VAL 60 1HG1 VAL 60 6.261 2.676 -4.984 452 2HG1 VAL 60 2HG1 VAL 60 4.836 2.386 -3.966 453 3HG1 VAL 60 3HG1 VAL 60 5.802 1.027 -4.556 454 1HG2 VAL 60 1HG2 VAL 60 5.010 4.005 -6.471 455 2HG2 VAL 60 2HG2 VAL 60 3.571 3.385 -7.352 456 3HG2 VAL 60 3HG2 VAL 60 3.484 3.763 -5.626 457 H LYS 61 H LYS 61 4.611 1.902 -9.633 458 HA LYS 61 HA LYS 61 2.374 0.047 -9.962 459 1HB LYS 61 1HB LYS 61 2.234 2.237 -11.007 460 2HB LYS 61 2HB LYS 61 3.720 1.971 -11.928 461 1HG LYS 61 1HG LYS 61 1.483 -0.006 -12.257 462 2HG LYS 61 2HG LYS 61 1.200 1.575 -12.936 463 1HD LYS 61 1HD LYS 61 2.739 1.176 -14.646 464 2HD LYS 61 2HD LYS 61 3.891 0.375 -13.568 465 1HE LYS 61 1HE LYS 61 2.393 -1.642 -13.499 466 2HE LYS 61 2HE LYS 61 1.351 -0.863 -14.705 467 1HZ LYS 61 1HZ LYS 61 4.186 -1.672 -15.112 468 2HZ LYS 61 2HZ LYS 61 2.840 -2.327 -15.765 469 3HZ LYS 61 3HZ LYS 61 3.230 -0.833 -16.206 470 H GLU 62 H GLU 62 5.866 0.011 -10.766 471 HA GLU 62 HA GLU 62 5.553 -2.370 -12.342 472 1HB GLU 62 1HB GLU 62 7.790 -2.544 -12.484 473 2HB GLU 62 2HB GLU 62 7.585 -0.816 -12.338 474 1HG GLU 62 1HG GLU 62 9.017 -0.771 -10.602 475 2HG GLU 62 2HG GLU 62 8.061 -1.927 -9.678 476 H LYS 63 H LYS 63 5.501 -1.700 -8.922 477 HA LYS 63 HA LYS 63 6.038 -4.464 -8.125 478 1HB LYS 63 1HB LYS 63 5.000 -2.120 -6.495 479 2HB LYS 63 2HB LYS 63 5.622 -3.627 -5.836 480 1HG LYS 63 1HG LYS 63 7.275 -1.646 -7.471 481 2HG LYS 63 2HG LYS 63 7.221 -1.680 -5.722 482 1HD LYS 63 1HD LYS 63 8.015 -4.178 -7.274 483 2HD LYS 63 2HD LYS 63 9.165 -2.872 -6.992 484 1HE LYS 63 1HE LYS 63 9.092 -3.070 -4.657 485 2HE LYS 63 2HE LYS 63 7.553 -3.939 -4.680 486 1HZ LYS 63 1HZ LYS 63 9.985 -5.150 -5.786 487 2HZ LYS 63 2HZ LYS 63 9.641 -5.227 -4.195 488 3HZ LYS 63 3HZ LYS 63 8.581 -5.880 -5.310 489 H GLY 64 H GLY 64 3.999 -4.229 -9.923 490 1HA GLY 64 1HA GLY 64 1.885 -4.958 -10.472 491 2HA GLY 64 2HA GLY 64 2.472 -6.274 -9.461 492 H ALA 65 H ALA 65 1.505 -3.145 -8.117 493 HA ALA 65 HA ALA 65 0.007 -4.454 -6.159 494 1HB ALA 65 1HB ALA 65 1.310 -2.378 -5.943 495 2HB ALA 65 2HB ALA 65 0.050 -1.491 -6.834 496 3HB ALA 65 3HB ALA 65 -0.321 -2.236 -5.254 497 H GLU 66 H GLU 66 -2.182 -3.398 -5.382 498 HA GLU 66 HA GLU 66 -4.192 -3.208 -7.535 499 1HB GLU 66 1HB GLU 66 -3.853 -5.487 -5.665 500 2HB GLU 66 2HB GLU 66 -5.501 -4.879 -5.840 501 1HG GLU 66 1HG GLU 66 -5.653 -5.434 -8.087 502 2HG GLU 66 2HG GLU 66 -3.913 -5.376 -8.342 503 H LEU 67 H LEU 67 -3.311 -2.998 -4.024 504 HA LEU 67 HA LEU 67 -5.447 -0.983 -3.679 505 1HB LEU 67 1HB LEU 67 -5.947 -3.337 -2.891 506 2HB LEU 67 2HB LEU 67 -4.621 -3.201 -1.753 507 HG LEU 67 HG LEU 67 -6.859 -2.991 -0.813 508 1HD1 LEU 67 1HD1 LEU 67 -4.762 -1.666 0.111 509 2HD1 LEU 67 2HD1 LEU 67 -5.837 -0.283 -0.183 510 3HD1 LEU 67 3HD1 LEU 67 -6.368 -1.594 0.860 511 1HD2 LEU 67 1HD2 LEU 67 -7.142 -0.327 -2.233 512 2HD2 LEU 67 2HD2 LEU 67 -8.008 -1.833 -2.627 513 3HD2 LEU 67 3HD2 LEU 67 -8.273 -1.047 -1.064 514 H VAL 68 H VAL 68 -4.993 0.560 -1.987 515 HA VAL 68 HA VAL 68 -2.249 0.765 -0.920 516 HB VAL 68 HB VAL 68 -3.483 3.120 -2.372 517 1HG1 VAL 68 1HG1 VAL 68 -1.416 4.139 -2.253 518 2HG1 VAL 68 2HG1 VAL 68 -1.377 3.192 -0.745 519 3HG1 VAL 68 3HG1 VAL 68 -0.530 2.627 -2.191 520 1HG2 VAL 68 1HG2 VAL 68 -3.292 1.449 -4.118 521 2HG2 VAL 68 2HG2 VAL 68 -2.125 2.721 -4.359 522 3HG2 VAL 68 3HG2 VAL 68 -1.589 1.153 -3.715 523 H ILE 69 H ILE 69 -2.301 1.882 1.078 524 HA ILE 69 HA ILE 69 -4.827 3.185 1.895 525 HB ILE 69 HB ILE 69 -3.084 1.386 3.619 526 1HG1 ILE 69 1HG1 ILE 69 -5.970 0.908 2.756 527 2HG1 ILE 69 2HG1 ILE 69 -4.574 0.140 2.008 528 1HG2 ILE 69 1HG2 ILE 69 -3.908 3.088 5.048 529 2HG2 ILE 69 2HG2 ILE 69 -5.456 3.190 4.169 530 3HG2 ILE 69 3HG2 ILE 69 -5.117 1.818 5.193 531 1HD1 ILE 69 1HD1 ILE 69 -3.926 -0.777 4.288 532 2HD1 ILE 69 2HD1 ILE 69 -5.525 -0.269 4.856 533 3HD1 ILE 69 3HD1 ILE 69 -5.395 -1.445 3.543 534 H VAL 70 H VAL 70 -4.304 5.286 1.995 535 HA VAL 70 HA VAL 70 -1.547 6.088 2.814 536 HB VAL 70 HB VAL 70 -1.565 7.801 1.106 537 1HG1 VAL 70 1HG1 VAL 70 -2.372 5.200 -0.226 538 2HG1 VAL 70 2HG1 VAL 70 -1.268 6.434 -0.856 539 3HG1 VAL 70 3HG1 VAL 70 -0.796 5.454 0.540 540 1HG2 VAL 70 1HG2 VAL 70 -3.303 7.876 -0.687 541 2HG2 VAL 70 2HG2 VAL 70 -4.278 6.734 0.203 542 3HG2 VAL 70 3HG2 VAL 70 -3.961 8.339 0.889 543 H ARG 71 H ARG 71 -1.416 8.376 3.552 544 HA ARG 71 HA ARG 71 -3.857 9.091 5.099 545 1HB ARG 71 1HB ARG 71 -1.708 8.668 6.218 546 2HB ARG 71 2HB ARG 71 -0.992 10.058 5.436 547 1HG ARG 71 1HG ARG 71 -2.332 11.580 6.669 548 2HG ARG 71 2HG ARG 71 -3.555 10.364 7.015 549 1HD ARG 71 1HD ARG 71 -1.621 9.147 8.310 550 2HD ARG 71 2HD ARG 71 -0.826 10.702 8.340 551 HE ARG 71 HE ARG 71 -2.541 9.793 10.158 552 1HH1 ARG 71 2HH2 ARG 71 -3.321 12.622 8.050 553 2HH1 ARG 71 1HH2 ARG 71 -4.423 13.192 9.240 554 1HH2 ARG 71 2HH1 ARG 71 -3.823 10.693 11.599 555 2HH2 ARG 71 1HH1 ARG 71 -4.714 12.140 11.257 556 H GLY 72 H GLY 72 -1.574 11.648 4.286 557 1HA GLY 72 1HA GLY 72 -3.673 13.004 2.727 558 2HA GLY 72 2HA GLY 72 -2.279 13.699 3.576 559 H ILE 73 H ILE 73 -2.939 11.370 1.007 560 HA ILE 73 HA ILE 73 -0.635 11.769 -0.597 561 HB ILE 73 HB ILE 73 -2.163 9.832 -0.652 562 1HG1 ILE 73 1HG1 ILE 73 -2.236 10.828 -3.495 563 2HG1 ILE 73 2HG1 ILE 73 -0.676 10.597 -2.702 564 1HG2 ILE 73 1HG2 ILE 73 -4.136 11.648 -2.142 565 2HG2 ILE 73 2HG2 ILE 73 -4.253 9.905 -2.061 566 3HG2 ILE 73 3HG2 ILE 73 -4.405 10.855 -0.575 567 1HD1 ILE 73 1HD1 ILE 73 -1.210 8.250 -2.228 568 2HD1 ILE 73 2HD1 ILE 73 -2.814 8.439 -2.966 569 3HD1 ILE 73 3HD1 ILE 73 -1.366 8.575 -3.955 570 H GLY 74 H GLY 74 -0.933 12.641 -3.023 571 1HA GLY 74 1HA GLY 74 -2.744 14.984 -3.193 572 2HA GLY 74 2HA GLY 74 -1.039 15.128 -3.651 573 H ARG 75 H ARG 75 -3.365 15.447 -5.296 574 HA ARG 75 HA ARG 75 -4.431 13.383 -6.636 575 1HB ARG 75 1HB ARG 75 -5.225 15.656 -6.750 576 2HB ARG 75 2HB ARG 75 -3.797 16.176 -7.637 577 1HG ARG 75 1HG ARG 75 -5.750 16.081 -9.051 578 2HG ARG 75 2HG ARG 75 -4.500 14.986 -9.624 579 1HD ARG 75 1HD ARG 75 -5.767 13.066 -9.154 580 2HD ARG 75 2HD ARG 75 -6.657 13.855 -7.846 581 HE ARG 75 HE ARG 75 -8.318 14.053 -9.362 582 1HH1 ARG 75 2HH2 ARG 75 -5.368 14.383 -11.349 583 2HH1 ARG 75 1HH2 ARG 75 -6.276 15.028 -12.695 584 1HH2 ARG 75 2HH1 ARG 75 -9.397 14.792 -11.196 585 2HH2 ARG 75 1HH1 ARG 75 -8.478 15.192 -12.644 586 H ARG 76 H ARG 76 -1.250 14.760 -7.565 587 HA ARG 76 HA ARG 76 -1.078 13.489 -10.100 588 1HB ARG 76 1HB ARG 76 0.458 15.244 -9.409 589 2HB ARG 76 2HB ARG 76 1.096 14.231 -8.097 590 1HG ARG 76 1HG ARG 76 2.128 12.725 -9.635 591 2HG ARG 76 2HG ARG 76 1.271 13.437 -11.005 592 1HD ARG 76 1HD ARG 76 3.584 14.152 -11.062 593 2HD ARG 76 2HD ARG 76 2.543 15.539 -10.746 594 HE ARG 76 HE ARG 76 3.553 15.830 -8.719 595 1HH1 ARG 76 2HH2 ARG 76 4.394 12.475 -9.768 596 2HH1 ARG 76 1HH2 ARG 76 5.526 12.315 -8.452 597 1HH2 ARG 76 2HH1 ARG 76 5.233 15.561 -7.203 598 2HH2 ARG 76 1HH1 ARG 76 6.022 14.015 -7.063 599 H ALA 77 H ALA 77 -0.771 12.064 -6.898 600 HA ALA 77 HA ALA 77 0.527 9.635 -7.981 601 1HB ALA 77 1HB ALA 77 -0.518 10.370 -5.234 602 2HB ALA 77 2HB ALA 77 0.200 8.813 -5.644 603 3HB ALA 77 3HB ALA 77 1.193 10.273 -5.791 604 H ILE 78 H ILE 78 -2.747 10.801 -7.097 605 HA ILE 78 HA ILE 78 -4.090 8.313 -7.073 606 HB ILE 78 HB ILE 78 -5.117 10.991 -8.050 607 1HG1 ILE 78 1HG1 ILE 78 -4.327 11.161 -5.729 608 2HG1 ILE 78 2HG1 ILE 78 -6.069 11.264 -5.862 609 1HG2 ILE 78 1HG2 ILE 78 -6.545 8.399 -7.350 610 2HG2 ILE 78 2HG2 ILE 78 -7.348 9.978 -7.423 611 3HG2 ILE 78 3HG2 ILE 78 -6.593 9.314 -8.864 612 1HD1 ILE 78 1HD1 ILE 78 -6.296 8.916 -5.073 613 2HD1 ILE 78 2HD1 ILE 78 -4.523 8.834 -4.889 614 3HD1 ILE 78 3HD1 ILE 78 -5.487 9.967 -3.919 615 H ALA 79 H ALA 79 -3.356 10.655 -9.704 616 HA ALA 79 HA ALA 79 -4.324 9.397 -11.939 617 1HB ALA 79 1HB ALA 79 -3.274 11.671 -11.822 618 2HB ALA 79 2HB ALA 79 -1.675 10.901 -11.739 619 3HB ALA 79 3HB ALA 79 -2.665 10.698 -13.182 620 H ALA 80 H ALA 80 -1.477 8.271 -10.130 621 HA ALA 80 HA ALA 80 -0.362 6.769 -12.381 622 1HB ALA 80 1HB ALA 80 1.146 7.663 -10.697 623 2HB ALA 80 2HB ALA 80 0.270 6.864 -9.388 624 3HB ALA 80 3HB ALA 80 1.102 5.871 -10.576 625 H PHE 81 H PHE 81 -2.056 5.938 -9.225 626 HA PHE 81 HA PHE 81 -2.354 3.231 -9.707 627 1HB PHE 81 1HB PHE 81 -3.956 5.314 -8.183 628 2HB PHE 81 2HB PHE 81 -4.081 3.600 -7.923 629 HD1 PHE 81 1HD PHE 81 -0.964 3.027 -8.044 630 HD2 PHE 81 2HD PHE 81 -3.421 5.926 -5.986 631 HE1 PHE 81 1HE PHE 81 0.688 3.153 -6.246 632 HE2 PHE 81 2HE PHE 81 -1.755 5.983 -4.126 633 HZ PHE 81 HZ PHE 81 0.260 4.539 -4.239 634 H GLU 82 H GLU 82 -4.364 6.069 -10.602 635 HA GLU 82 HA GLU 82 -6.434 4.681 -11.894 636 1HB GLU 82 1HB GLU 82 -5.171 7.406 -12.407 637 2HB GLU 82 2HB GLU 82 -6.582 6.837 -13.268 638 1HG GLU 82 1HG GLU 82 -7.562 6.430 -10.806 639 2HG GLU 82 2HG GLU 82 -6.350 7.642 -10.391 640 H ALA 83 H ALA 83 -3.089 4.564 -12.941 641 HA ALA 83 HA ALA 83 -3.872 4.209 -15.769 642 1HB ALA 83 1HB ALA 83 -1.228 3.627 -14.370 643 2HB ALA 83 2HB ALA 83 -1.527 3.716 -16.112 644 3HB ALA 83 3HB ALA 83 -1.640 5.190 -15.124 645 H MET 84 H MET 84 -3.545 2.390 -12.810 646 HA MET 84 HA MET 84 -3.435 -0.209 -14.256 647 1HB MET 84 1HB MET 84 -2.348 -0.948 -12.039 648 2HB MET 84 2HB MET 84 -1.382 -0.042 -13.222 649 1HG MET 84 1HG MET 84 -1.688 1.996 -11.907 650 2HG MET 84 2HG MET 84 -2.715 1.131 -10.781 651 1HE MET 84 1HE MET 84 -1.109 -1.644 -10.134 652 2HE MET 84 2HE MET 84 0.001 -1.465 -11.491 653 3HE MET 84 3HE MET 84 0.619 -1.455 -9.837 654 H GLY 85 H GLY 85 -5.664 1.644 -12.659 655 1HA GLY 85 1HA GLY 85 -7.690 1.079 -11.631 656 2HA GLY 85 2HA GLY 85 -7.405 -0.608 -12.086 657 H VAL 86 H VAL 86 -5.116 1.355 -10.195 658 HA VAL 86 HA VAL 86 -5.361 -0.568 -7.986 659 HB VAL 86 HB VAL 86 -3.364 1.604 -8.737 660 1HG1 VAL 86 1HG1 VAL 86 -2.138 1.063 -6.609 661 2HG1 VAL 86 2HG1 VAL 86 -3.662 1.919 -6.309 662 3HG1 VAL 86 3HG1 VAL 86 -3.558 0.167 -6.038 663 1HG2 VAL 86 1HG2 VAL 86 -3.122 -0.698 -9.635 664 2HG2 VAL 86 2HG2 VAL 86 -1.855 -0.357 -8.423 665 3HG2 VAL 86 3HG2 VAL 86 -3.233 -1.352 -8.003 666 H LYS 87 H LYS 87 -6.672 -0.250 -6.325 667 HA LYS 87 HA LYS 87 -8.272 2.207 -6.140 668 1HB LYS 87 1HB LYS 87 -9.194 -0.154 -5.824 669 2HB LYS 87 2HB LYS 87 -8.261 -0.236 -4.329 670 1HG LYS 87 1HG LYS 87 -9.481 1.879 -3.567 671 2HG LYS 87 2HG LYS 87 -10.420 1.774 -5.068 672 1HD LYS 87 1HD LYS 87 -11.202 -0.502 -4.311 673 2HD LYS 87 2HD LYS 87 -10.318 -0.229 -2.784 674 1HE LYS 87 1HE LYS 87 -11.671 1.883 -2.460 675 2HE LYS 87 2HE LYS 87 -12.586 1.476 -3.914 676 1HZ LYS 87 1HZ LYS 87 -12.540 -0.080 -1.393 677 2HZ LYS 87 2HZ LYS 87 -13.774 0.798 -2.005 678 3HZ LYS 87 3HZ LYS 87 -13.318 -0.568 -2.784 679 H VAL 88 H VAL 88 -8.148 3.588 -4.303 680 HA VAL 88 HA VAL 88 -5.674 3.372 -2.689 681 HB VAL 88 HB VAL 88 -4.981 4.426 -4.656 682 1HG1 VAL 88 1HG1 VAL 88 -7.170 6.526 -4.474 683 2HG1 VAL 88 2HG1 VAL 88 -5.847 6.461 -5.657 684 3HG1 VAL 88 3HG1 VAL 88 -7.078 5.221 -5.673 685 1HG2 VAL 88 1HG2 VAL 88 -4.142 6.571 -3.851 686 2HG2 VAL 88 2HG2 VAL 88 -5.359 6.595 -2.571 687 3HG2 VAL 88 3HG2 VAL 88 -4.093 5.357 -2.561 688 H ILE 89 H ILE 89 -6.688 3.068 -0.817 689 HA ILE 89 HA ILE 89 -8.966 4.644 0.135 690 HB ILE 89 HB ILE 89 -7.160 2.433 1.180 691 1HG1 ILE 89 1HG1 ILE 89 -10.178 2.636 0.808 692 2HG1 ILE 89 2HG1 ILE 89 -9.056 1.968 -0.379 693 1HG2 ILE 89 1HG2 ILE 89 -8.605 2.516 3.344 694 2HG2 ILE 89 2HG2 ILE 89 -7.293 3.676 3.161 695 3HG2 ILE 89 3HG2 ILE 89 -8.927 4.192 2.876 696 1HD1 ILE 89 1HD1 ILE 89 -10.004 0.136 0.767 697 2HD1 ILE 89 2HD1 ILE 89 -8.326 0.268 1.323 698 3HD1 ILE 89 3HD1 ILE 89 -9.665 0.831 2.355 699 H LYS 90 H LYS 90 -8.708 6.652 1.078 700 HA LYS 90 HA LYS 90 -5.928 7.488 1.763 701 1HB LYS 90 1HB LYS 90 -8.230 9.097 0.605 702 2HB LYS 90 2HB LYS 90 -6.602 9.699 0.931 703 1HG LYS 90 1HG LYS 90 -5.705 8.799 -0.926 704 2HG LYS 90 2HG LYS 90 -6.608 7.321 -0.853 705 1HD LYS 90 1HD LYS 90 -7.694 9.955 -1.840 706 2HD LYS 90 2HD LYS 90 -7.145 8.606 -2.860 707 1HE LYS 90 1HE LYS 90 -8.984 7.471 -1.092 708 2HE LYS 90 2HE LYS 90 -9.663 9.060 -1.442 709 1HZ LYS 90 1HZ LYS 90 -9.440 8.353 -3.880 710 2HZ LYS 90 2HZ LYS 90 -9.047 6.833 -3.285 711 3HZ LYS 90 3HZ LYS 90 -10.494 7.455 -2.986 712 H GLY 91 H GLY 91 -5.867 9.430 3.270 713 1HA GLY 91 1HA GLY 91 -6.439 10.453 5.237 714 2HA GLY 91 2HA GLY 91 -8.106 9.937 4.970 715 H ALA 92 H ALA 92 -5.723 7.362 5.047 716 HA ALA 92 HA ALA 92 -6.885 6.253 7.456 717 1HB ALA 92 1HB ALA 92 -4.394 5.469 5.872 718 2HB ALA 92 2HB ALA 92 -5.208 4.471 7.099 719 3HB ALA 92 3HB ALA 92 -6.045 4.865 5.585 720 H SER 93 H SER 93 -5.214 5.480 9.276 721 HA SER 93 HA SER 93 -2.894 7.044 9.652 722 1HB SER 93 1HB SER 93 -4.895 8.578 10.402 723 2HB SER 93 2HB SER 93 -4.857 7.544 11.852 724 HG SER 93 HG SER 93 -2.816 8.192 12.265 725 H GLY 94 H GLY 94 -1.653 6.062 11.316 726 1HA GLY 94 1HA GLY 94 -1.723 4.759 13.417 727 2HA GLY 94 2HA GLY 94 -2.733 3.568 12.576 728 H THR 95 H THR 95 -0.828 2.169 13.480 729 HA THR 95 HA THR 95 1.580 2.232 11.819 730 HB THR 95 HB THR 95 2.013 0.071 13.138 731 HG1 THR 95 1HG THR 95 0.616 -0.331 14.876 732 1HG2 THR 95 1HG2 THR 95 2.808 2.353 13.876 733 2HG2 THR 95 2HG2 THR 95 1.353 2.489 14.884 734 3HG2 THR 95 3HG2 THR 95 2.560 1.207 15.197 735 H VAL 96 H VAL 96 2.206 0.233 10.582 736 HA VAL 96 HA VAL 96 0.367 -0.230 8.520 737 HB VAL 96 HB VAL 96 2.971 -1.494 9.404 738 1HG1 VAL 96 1HG1 VAL 96 3.011 -2.886 7.320 739 2HG1 VAL 96 2HG1 VAL 96 1.883 -3.484 8.537 740 3HG1 VAL 96 3HG1 VAL 96 1.266 -2.576 7.139 741 1HG2 VAL 96 1HG2 VAL 96 2.731 0.671 8.176 742 2HG2 VAL 96 2HG2 VAL 96 3.755 -0.546 7.360 743 3HG2 VAL 96 3HG2 VAL 96 2.105 -0.235 6.794 744 H GLU 97 H GLU 97 1.264 -2.430 11.213 745 HA GLU 97 HA GLU 97 -0.381 -4.528 10.404 746 1HB GLU 97 1HB GLU 97 -0.426 -5.298 12.739 747 2HB GLU 97 2HB GLU 97 1.177 -4.945 12.106 748 1HG GLU 97 1HG GLU 97 1.500 -3.090 13.453 749 2HG GLU 97 2HG GLU 97 -0.219 -2.823 13.725 750 H GLU 98 H GLU 98 -1.282 -1.626 12.160 751 HA GLU 98 HA GLU 98 -3.899 -2.619 12.927 752 1HB GLU 98 1HB GLU 98 -2.488 -1.053 14.323 753 2HB GLU 98 2HB GLU 98 -2.814 0.229 13.138 754 1HG GLU 98 1HG GLU 98 -5.246 -0.005 13.562 755 2HG GLU 98 2HG GLU 98 -4.936 -1.367 14.648 756 H VAL 99 H VAL 99 -2.646 -0.061 10.680 757 HA VAL 99 HA VAL 99 -5.110 0.712 9.591 758 HB VAL 99 HB VAL 99 -2.189 0.682 8.660 759 1HG1 VAL 99 1HG1 VAL 99 -2.726 2.155 6.800 760 2HG1 VAL 99 2HG1 VAL 99 -3.468 0.571 6.568 761 3HG1 VAL 99 3HG1 VAL 99 -4.459 1.934 7.160 762 1HG2 VAL 99 1HG2 VAL 99 -2.359 3.111 8.906 763 2HG2 VAL 99 2HG2 VAL 99 -4.108 3.004 9.170 764 3HG2 VAL 99 3HG2 VAL 99 -2.976 2.370 10.401 765 H VAL 100 H VAL 100 -2.863 -1.898 8.546 766 HA VAL 100 HA VAL 100 -4.372 -2.676 6.236 767 HB VAL 100 HB VAL 100 -2.435 -4.161 8.055 768 1HG1 VAL 100 1HG1 VAL 100 -3.709 -5.157 5.468 769 2HG1 VAL 100 2HG1 VAL 100 -2.247 -5.860 6.188 770 3HG1 VAL 100 3HG1 VAL 100 -3.761 -5.918 7.080 771 1HG2 VAL 100 1HG2 VAL 100 -0.923 -3.925 6.078 772 2HG2 VAL 100 2HG2 VAL 100 -2.196 -3.046 5.208 773 3HG2 VAL 100 3HG2 VAL 100 -1.471 -2.366 6.676 774 H ASN 101 H ASN 101 -4.464 -3.794 9.705 775 HA ASN 101 HA ASN 101 -6.542 -5.687 9.242 776 1HB ASN 101 1HB ASN 101 -5.277 -5.724 11.321 777 2HB ASN 101 2HB ASN 101 -5.843 -4.108 11.757 778 1HD2 ASN 101 1HD2 ASN 101 -7.949 -3.869 12.718 779 2HD2 ASN 101 2HD2 ASN 101 -9.060 -5.224 12.824 780 H GLN 102 H GLN 102 -6.745 -2.170 10.034 781 HA GLN 102 HA GLN 102 -9.533 -2.040 10.415 782 1HB GLN 102 1HB GLN 102 -7.791 0.161 9.147 783 2HB GLN 102 2HB GLN 102 -9.431 0.331 9.751 784 1HG GLN 102 1HG GLN 102 -8.674 -0.390 12.015 785 2HG GLN 102 2HG GLN 102 -7.032 -0.420 11.449 786 1HE2 GLN 102 1HE2 GLN 102 -7.655 1.065 13.642 787 2HE2 GLN 102 2HE2 GLN 102 -7.266 2.733 13.242 788 H TYR 103 H TYR 103 -7.695 -2.029 7.368 789 HA TYR 103 HA TYR 103 -10.061 -1.582 5.705 790 1HB TYR 103 1HB TYR 103 -8.145 -0.820 4.770 791 2HB TYR 103 2HB TYR 103 -7.156 -2.171 5.266 792 HD1 TYR 103 1HD TYR 103 -10.055 -1.337 3.047 793 HD2 TYR 103 2HD TYR 103 -6.733 -3.982 3.782 794 HE1 TYR 103 1HE TYR 103 -10.518 -2.518 0.905 795 HE2 TYR 103 2HE TYR 103 -7.120 -5.089 1.631 796 HH TYR 103 HH TYR 103 -10.081 -4.706 -0.138 797 H LEU 104 H LEU 104 -8.120 -4.526 6.558 798 HA LEU 104 HA LEU 104 -9.656 -6.268 4.964 799 1HB LEU 104 1HB LEU 104 -8.053 -6.668 7.532 800 2HB LEU 104 2HB LEU 104 -9.066 -7.960 6.880 801 HG LEU 104 HG LEU 104 -7.902 -7.592 4.639 802 1HD1 LEU 104 1HD1 LEU 104 -6.739 -5.495 5.155 803 2HD1 LEU 104 2HD1 LEU 104 -5.791 -6.336 6.379 804 3HD1 LEU 104 3HD1 LEU 104 -5.614 -6.763 4.657 805 1HD2 LEU 104 1HD2 LEU 104 -6.263 -8.609 6.996 806 2HD2 LEU 104 2HD2 LEU 104 -7.469 -9.559 6.090 807 3HD2 LEU 104 3HD2 LEU 104 -5.978 -9.013 5.282 808 H SER 105 H SER 105 -10.218 -4.798 8.098 809 HA SER 105 HA SER 105 -12.588 -6.393 8.708 810 1HB SER 105 1HB SER 105 -11.321 -4.044 10.175 811 2HB SER 105 2HB SER 105 -12.516 -5.185 10.806 812 HG SER 105 HG SER 105 -9.824 -5.632 10.126 813 H GLY 106 H GLY 106 -12.215 -3.916 6.569 814 1HA GLY 106 1HA GLY 106 -13.668 -2.528 5.539 815 2HA GLY 106 2HA GLY 106 -14.974 -3.374 6.375 816 H GLN 107 H GLN 107 -12.634 -1.857 8.452 817 HA GLN 107 HA GLN 107 -14.634 0.095 9.414 818 1HB GLN 107 1HB GLN 107 -11.713 -0.370 10.159 819 2HB GLN 107 2HB GLN 107 -12.784 0.739 10.989 820 1HG GLN 107 1HG GLN 107 -13.282 -2.263 10.785 821 2HG GLN 107 2HG GLN 107 -12.411 -1.495 12.096 822 1HE2 GLN 107 1HE2 GLN 107 -14.432 -2.872 12.984 823 2HE2 GLN 107 2HE2 GLN 107 -15.803 -1.913 13.433 824 H LEU 108 H LEU 108 -11.764 -0.044 7.469 825 HA LEU 108 HA LEU 108 -11.348 2.812 7.255 826 1HB LEU 108 1HB LEU 108 -10.003 0.388 6.378 827 2HB LEU 108 2HB LEU 108 -10.115 1.473 5.008 828 HG LEU 108 HG LEU 108 -9.006 2.161 7.750 829 1HD1 LEU 108 1HD1 LEU 108 -7.505 1.595 5.188 830 2HD1 LEU 108 2HD1 LEU 108 -6.808 2.122 6.745 831 3HD1 LEU 108 3HD1 LEU 108 -7.585 0.551 6.623 832 1HD2 LEU 108 1HD2 LEU 108 -8.064 4.152 6.766 833 2HD2 LEU 108 2HD2 LEU 108 -8.909 3.836 5.239 834 3HD2 LEU 108 3HD2 LEU 108 -9.817 4.200 6.714 835 H LYS 109 H LYS 109 -11.381 3.798 4.956 836 HA LYS 109 HA LYS 109 -13.934 3.180 3.657 837 1HB LYS 109 1HB LYS 109 -13.941 5.095 5.612 838 2HB LYS 109 2HB LYS 109 -13.350 6.077 4.288 839 1HG LYS 109 1HG LYS 109 -15.755 6.254 4.454 840 2HG LYS 109 2HG LYS 109 -15.363 5.462 2.952 841 1HD LYS 109 1HD LYS 109 -16.610 3.680 3.475 842 2HD LYS 109 2HD LYS 109 -15.722 3.389 4.982 843 1HE LYS 109 1HE LYS 109 -17.268 4.409 6.278 844 2HE LYS 109 2HE LYS 109 -17.583 5.685 5.094 845 1HZ LYS 109 1HZ LYS 109 -19.015 4.227 3.894 846 2HZ LYS 109 2HZ LYS 109 -18.610 2.937 4.849 847 3HZ LYS 109 3HZ LYS 109 -19.487 4.171 5.468 848 H ASP 110 H ASP 110 -14.070 5.008 1.770 849 HA ASP 110 HA ASP 110 -11.556 5.025 0.281 850 1HB ASP 110 1HB ASP 110 -12.565 3.608 -1.449 851 2HB ASP 110 2HB ASP 110 -12.362 2.733 0.064 852 H SER 111 H SER 111 -12.174 7.280 0.796 853 HA SER 111 HA SER 111 -14.444 8.516 -0.438 854 1HB SER 111 1HB SER 111 -12.994 10.571 -0.549 855 2HB SER 111 2HB SER 111 -13.257 9.848 1.071 856 HG SER 111 HG SER 111 -11.162 10.576 0.704 857 H ASP 112 H ASP 112 -14.273 10.018 -2.492 858 HA ASP 112 HA ASP 112 -12.483 8.964 -4.469 859 1HB ASP 112 1HB ASP 112 -14.645 7.456 -4.443 860 2HB ASP 112 2HB ASP 112 -15.422 8.856 -5.193 861 H TYR 113 H TYR 113 -12.402 10.467 -6.100 862 HA TYR 113 HA TYR 113 -13.421 13.172 -5.470 863 1HB TYR 113 1HB TYR 113 -11.534 12.844 -3.969 864 2HB TYR 113 2HB TYR 113 -10.545 12.182 -5.263 865 HD1 TYR 113 1HD TYR 113 -12.634 15.174 -4.592 866 HD2 TYR 113 2HD TYR 113 -9.036 13.597 -6.314 867 HE1 TYR 113 1HE TYR 113 -12.025 17.476 -5.413 868 HE2 TYR 113 2HE TYR 113 -8.365 15.851 -7.089 869 HH TYR 113 HH TYR 113 -10.339 18.760 -6.342 870 H GLU 114 H GLU 114 -12.578 14.737 -7.095 871 HA GLU 114 HA GLU 114 -13.817 14.276 -9.378 872 1HB GLU 114 1HB GLU 114 -11.467 16.128 -8.853 873 2HB GLU 114 2HB GLU 114 -12.366 16.178 -10.377 874 1HG GLU 114 1HG GLU 114 -13.690 16.523 -7.653 875 2HG GLU 114 2HG GLU 114 -13.037 17.860 -8.596 876 H VAL 115 H VAL 115 -13.527 12.441 -10.617 877 HA VAL 115 HA VAL 115 -10.884 11.838 -11.744 878 HB VAL 115 HB VAL 115 -13.526 10.398 -12.196 879 1HG1 VAL 115 1HG1 VAL 115 -11.972 8.566 -12.999 880 2HG1 VAL 115 2HG1 VAL 115 -11.947 9.983 -14.042 881 3HG1 VAL 115 3HG1 VAL 115 -10.631 9.726 -12.887 882 1HG2 VAL 115 1HG2 VAL 115 -12.884 10.094 -9.872 883 2HG2 VAL 115 2HG2 VAL 115 -12.437 8.635 -10.732 884 3HG2 VAL 115 3HG2 VAL 115 -11.188 9.821 -10.317 885 H HIS 116 H HIS 116 -11.195 14.213 -12.324 886 HA HIS 116 HA HIS 116 -12.410 14.648 -14.964 887 1HB HIS 116 1HB HIS 116 -11.987 16.538 -13.361 888 2HB HIS 116 2HB HIS 116 -10.249 16.264 -13.572 889 HD1 HIS 116 1HD HIS 116 -9.416 18.138 -15.165 890 HD2 HIS 116 2HD HIS 116 -13.202 16.522 -16.164 891 HE1 HIS 116 1HE HIS 116 -10.171 19.294 -17.334 892 HE2 HIS 116 2HE HIS 116 -12.458 18.232 -17.972 893 H ASP 117 H ASP 117 -10.955 14.956 -16.826 894 HA ASP 117 HA ASP 117 -9.896 12.906 -17.884 895 1HB ASP 117 1HB ASP 117 -8.846 15.708 -18.237 896 2HB ASP 117 2HB ASP 117 -8.118 14.363 -19.107 897 H HIS 118 H HIS 118 -8.839 11.373 -16.653 898 HA HIS 118 HA HIS 118 -6.221 11.955 -15.504 899 1HB HIS 118 1HB HIS 118 -6.062 9.372 -15.368 900 2HB HIS 118 2HB HIS 118 -7.195 10.238 -14.362 901 HD1 HIS 118 1HD HIS 118 -9.007 8.416 -14.010 902 HD2 HIS 118 2HD HIS 118 -8.091 9.326 -18.062 903 HE1 HIS 118 1HE HIS 118 -10.872 7.439 -15.442 904 HE2 HIS 118 2HE HIS 118 -10.320 8.000 -17.888 905 H HIS 119 H HIS 119 -4.140 10.933 -16.273 906 HA HIS 119 HA HIS 119 -4.165 10.082 -19.101 907 1HB HIS 119 1HB HIS 119 -2.249 11.663 -19.621 908 2HB HIS 119 2HB HIS 119 -3.825 12.425 -19.428 909 HD1 HIS 119 1HD HIS 119 -0.384 12.241 -17.721 910 HD2 HIS 119 2HD HIS 119 -4.233 13.939 -17.222 911 HE1 HIS 119 1HE HIS 119 -0.206 13.971 -15.826 912 HE2 HIS 119 2HE HIS 119 -2.609 14.943 -15.492 913 H HIS 120 H HIS 120 -2.374 8.929 -19.802 914 HA HIS 120 HA HIS 120 -0.007 8.754 -18.303 915 1HB HIS 120 1HB HIS 120 0.135 6.347 -17.948 916 2HB HIS 120 2HB HIS 120 -1.123 7.040 -16.949 917 HD1 HIS 120 1HD HIS 120 -0.628 4.547 -19.830 918 HD2 HIS 120 2HD HIS 120 -3.724 6.434 -17.616 919 HE1 HIS 120 1HE HIS 120 -2.788 3.284 -20.346 920 HE2 HIS 120 2HE HIS 120 -4.674 4.425 -18.999 921 H HIS 121 H HIS 121 1.560 8.493 -19.852 922 HA HIS 121 HA HIS 121 1.082 6.866 -22.173 923 1HB HIS 121 1HB HIS 121 1.325 8.395 -23.893 924 2HB HIS 121 2HB HIS 121 0.221 9.218 -22.814 925 HD1 HIS 121 1HD HIS 121 2.584 10.390 -25.009 926 HD2 HIS 121 2HD HIS 121 2.534 10.468 -20.766 927 HE1 HIS 121 1HE HIS 121 4.219 12.203 -24.262 928 HE2 HIS 121 2HE HIS 121 4.215 12.232 -21.713 929 H GLU 122 H GLU 122 3.307 7.104 -23.577 930 HA GLU 122 HA GLU 122 5.502 6.691 -23.672 931 1HB GLU 122 1HB GLU 122 5.445 9.084 -23.683 932 2HB GLU 122 2HB GLU 122 5.475 9.160 -21.933 933 1HG GLU 122 1HG GLU 122 7.769 7.609 -22.945 934 2HG GLU 122 2HG GLU 122 7.671 9.165 -23.736 935 H HIS 123 H HIS 123 5.066 4.634 -22.524 936 HA HIS 123 HA HIS 123 7.419 4.286 -21.038 937 1HB HIS 123 1HB HIS 123 5.597 4.909 -19.193 938 2HB HIS 123 2HB HIS 123 4.991 3.295 -19.487 939 HD1 HIS 123 1HD HIS 123 6.100 1.531 -17.965 940 HD2 HIS 123 2HD HIS 123 8.480 4.967 -18.647 941 HE1 HIS 123 1HE HIS 123 8.098 1.430 -16.282 942 HE2 HIS 123 2HE HIS 123 9.543 3.526 -16.756 943 H HIS 124 H HIS 124 7.865 2.009 -20.799 944 HA HIS 124 HA HIS 124 6.615 -0.240 -22.012 945 1HB HIS 124 1HB HIS 124 8.710 -0.483 -20.912 946 2HB HIS 124 2HB HIS 124 8.186 0.381 -19.482 947 HD1 HIS 124 1HD HIS 124 5.655 -1.478 -18.649 948 HD2 HIS 124 2HD HIS 124 9.629 -2.575 -19.618 949 HE1 HIS 124 1HE HIS 124 6.134 -3.660 -17.417 950 HE2 HIS 124 2HE HIS 124 8.595 -4.297 -17.971 Start of MODEL 3 1 1H MET 1 1H MET 1 -5.235 -9.399 -2.499 2 HA MET 1 HA MET 1 -4.366 -7.470 -4.534 3 1HB MET 1 1HB MET 1 -5.411 -5.726 -3.278 4 2HB MET 1 2HB MET 1 -6.565 -7.066 -3.402 5 1HG MET 1 1HG MET 1 -5.308 -7.598 -1.048 6 2HG MET 1 2HG MET 1 -5.283 -5.841 -1.053 7 1HE MET 1 1HE MET 1 -7.851 -4.524 -1.757 8 2HE MET 1 2HE MET 1 -8.286 -5.812 -2.904 9 3HE MET 1 3HE MET 1 -9.375 -5.432 -1.582 10 H ILE 2 H ILE 2 -2.726 -5.863 -3.865 11 HA ILE 2 HA ILE 2 -1.101 -6.585 -1.494 12 HB ILE 2 HB ILE 2 -0.026 -5.303 -4.016 13 1HG1 ILE 2 1HG1 ILE 2 0.083 -8.219 -3.160 14 2HG1 ILE 2 2HG1 ILE 2 -0.609 -7.527 -4.643 15 1HG2 ILE 2 1HG2 ILE 2 1.108 -4.839 -1.781 16 2HG2 ILE 2 2HG2 ILE 2 1.468 -6.541 -1.677 17 3HG2 ILE 2 3HG2 ILE 2 2.141 -5.568 -3.001 18 1HD1 ILE 2 1HD1 ILE 2 2.340 -7.730 -3.924 19 2HD1 ILE 2 2HD1 ILE 2 1.483 -8.558 -5.223 20 3HD1 ILE 2 3HD1 ILE 2 1.722 -6.805 -5.308 21 H ILE 3 H ILE 3 -0.654 -4.679 -0.301 22 HA ILE 3 HA ILE 3 -2.418 -2.339 -0.732 23 HB ILE 3 HB ILE 3 -1.839 -3.960 1.783 24 1HG1 ILE 3 1HG1 ILE 3 -4.586 -3.651 0.580 25 2HG1 ILE 3 2HG1 ILE 3 -3.484 -4.814 -0.095 26 1HG2 ILE 3 1HG2 ILE 3 -3.617 -1.517 1.336 27 2HG2 ILE 3 2HG2 ILE 3 -3.574 -2.488 2.829 28 3HG2 ILE 3 3HG2 ILE 3 -2.148 -1.585 2.327 29 1HD1 ILE 3 1HD1 ILE 3 -4.930 -5.830 1.648 30 2HD1 ILE 3 2HD1 ILE 3 -3.221 -5.871 2.162 31 3HD1 ILE 3 3HD1 ILE 3 -4.337 -4.667 2.839 32 H ALA 4 H ALA 4 -0.972 -0.853 -1.131 33 HA ALA 4 HA ALA 4 1.631 -0.737 0.366 34 1HB ALA 4 1HB ALA 4 0.684 0.857 -1.936 35 2HB ALA 4 2HB ALA 4 1.659 1.726 -0.724 36 3HB ALA 4 3HB ALA 4 2.306 0.295 -1.488 37 H ILE 5 H ILE 5 2.074 0.439 2.089 38 HA ILE 5 HA ILE 5 0.225 2.593 2.934 39 HB ILE 5 HB ILE 5 1.523 0.488 4.690 40 1HG1 ILE 5 1HG1 ILE 5 -1.399 1.339 4.546 41 2HG1 ILE 5 2HG1 ILE 5 -0.764 0.036 3.542 42 1HG2 ILE 5 1HG2 ILE 5 1.769 2.736 5.746 43 2HG2 ILE 5 2HG2 ILE 5 0.042 3.044 5.483 44 3HG2 ILE 5 3HG2 ILE 5 0.576 1.790 6.620 45 1HD1 ILE 5 1HD1 ILE 5 -0.117 -1.252 5.501 46 2HD1 ILE 5 2HD1 ILE 5 -0.753 0.019 6.572 47 3HD1 ILE 5 3HD1 ILE 5 -1.847 -0.860 5.499 48 HA PRO 6 HA PRO 6 4.416 4.402 2.525 49 1HB PRO 6 1HB PRO 6 3.696 7.032 2.894 50 2HB PRO 6 2HB PRO 6 3.491 6.176 1.340 51 1HG PRO 6 1HG PRO 6 1.422 6.795 3.426 52 2HG PRO 6 2HG PRO 6 1.269 6.830 1.645 53 1HD PRO 6 1HD PRO 6 0.444 4.741 3.301 54 2HD PRO 6 2HD PRO 6 0.837 4.539 1.566 55 H VAL 7 H VAL 7 5.845 4.525 4.273 56 HA VAL 7 HA VAL 7 4.649 5.168 6.933 57 HB VAL 7 HB VAL 7 6.173 3.511 7.935 58 1HG1 VAL 7 1HG1 VAL 7 4.788 1.608 7.443 59 2HG1 VAL 7 2HG1 VAL 7 3.816 3.046 7.660 60 3HG1 VAL 7 3HG1 VAL 7 4.104 2.394 6.015 61 1HG2 VAL 7 1HG2 VAL 7 7.817 3.188 6.211 62 2HG2 VAL 7 2HG2 VAL 7 7.042 1.645 6.538 63 3HG2 VAL 7 3HG2 VAL 7 6.598 2.533 5.076 64 H SER 8 H SER 8 6.170 5.809 8.512 65 HA SER 8 HA SER 8 7.814 7.928 7.386 66 1HB SER 8 1HB SER 8 7.587 7.365 10.347 67 2HB SER 8 2HB SER 8 7.696 8.910 9.505 68 HG SER 8 HG SER 8 5.449 7.135 9.540 69 H GLU 9 H GLU 9 8.319 4.740 8.937 70 HA GLU 9 HA GLU 9 11.224 4.895 8.778 71 1HB GLU 9 1HB GLU 9 9.642 4.551 11.371 72 2HB GLU 9 2HB GLU 9 11.305 3.983 11.167 73 1HG GLU 9 1HG GLU 9 12.064 6.278 10.672 74 2HG GLU 9 2HG GLU 9 10.404 6.868 10.845 75 H ASN 10 H ASN 10 12.092 2.780 8.978 76 HA ASN 10 HA ASN 10 10.446 0.743 7.684 77 1HB ASN 10 1HB ASN 10 12.717 1.568 6.919 78 2HB ASN 10 2HB ASN 10 13.441 0.788 8.310 79 1HD2 ASN 10 1HD2 ASN 10 12.387 -1.812 8.363 80 2HD2 ASN 10 2HD2 ASN 10 12.597 -2.534 6.761 81 H ARG 11 H ARG 11 9.207 0.546 9.799 82 HA ARG 11 HA ARG 11 10.704 -1.127 11.795 83 1HB ARG 11 1HB ARG 11 8.223 0.551 12.203 84 2HB ARG 11 2HB ARG 11 9.033 -0.395 13.419 85 1HG ARG 11 1HG ARG 11 11.140 1.042 12.715 86 2HG ARG 11 2HG ARG 11 9.950 2.107 11.978 87 1HD ARG 11 1HD ARG 11 8.807 2.491 14.055 88 2HD ARG 11 2HD ARG 11 9.728 1.248 14.893 89 HE ARG 11 HE ARG 11 10.734 3.906 13.975 90 1HH1 ARG 11 2HH2 ARG 11 11.496 0.925 15.852 91 2HH1 ARG 11 1HH2 ARG 11 12.833 1.710 16.640 92 1HH2 ARG 11 2HH1 ARG 11 12.249 4.841 15.093 93 2HH2 ARG 11 1HH1 ARG 11 13.110 4.082 16.432 94 H GLY 12 H GLY 12 9.818 -2.356 9.413 95 1HA GLY 12 1HA GLY 12 8.552 -4.039 8.509 96 2HA GLY 12 2HA GLY 12 8.449 -4.641 10.162 97 H LYS 13 H LYS 13 6.754 -3.814 11.483 98 HA LYS 13 HA LYS 13 4.171 -3.609 9.972 99 1HB LYS 13 1HB LYS 13 4.935 -5.258 12.423 100 2HB LYS 13 2HB LYS 13 3.320 -5.193 11.710 101 1HG LYS 13 1HG LYS 13 4.082 -6.147 9.655 102 2HG LYS 13 2HG LYS 13 5.788 -6.046 10.139 103 1HD LYS 13 1HD LYS 13 3.800 -7.688 11.686 104 2HD LYS 13 2HD LYS 13 4.702 -8.321 10.297 105 1HE LYS 13 1HE LYS 13 6.833 -7.810 11.380 106 2HE LYS 13 2HE LYS 13 6.002 -7.048 12.749 107 1HZ LYS 13 1HZ LYS 13 5.079 -9.168 13.322 108 2HZ LYS 13 2HZ LYS 13 5.702 -9.892 11.978 109 3HZ LYS 13 3HZ LYS 13 6.719 -9.361 13.137 110 H ASP 14 H ASP 14 5.919 -3.040 13.047 111 HA ASP 14 HA ASP 14 4.124 -1.072 14.072 112 1HB ASP 14 1HB ASP 14 6.320 -0.427 15.298 113 2HB ASP 14 2HB ASP 14 5.423 -1.828 15.755 114 H SER 15 H SER 15 5.894 -1.013 11.236 115 HA SER 15 HA SER 15 6.972 1.491 10.790 116 1HB SER 15 1HB SER 15 5.162 -0.010 8.982 117 2HB SER 15 2HB SER 15 6.412 1.215 8.588 118 HG SER 15 HG SER 15 6.766 -1.291 8.608 119 HA PRO 16 HA PRO 16 3.291 3.790 11.986 120 1HB PRO 16 1HB PRO 16 4.459 6.266 12.365 121 2HB PRO 16 2HB PRO 16 4.571 4.923 13.545 122 1HG PRO 16 1HG PRO 16 6.604 5.781 11.473 123 2HG PRO 16 2HG PRO 16 6.875 5.362 13.192 124 1HD PRO 16 1HD PRO 16 7.293 3.593 11.139 125 2HD PRO 16 2HD PRO 16 6.740 3.084 12.752 126 H ILE 17 H ILE 17 1.833 4.528 10.502 127 HA ILE 17 HA ILE 17 2.487 4.903 7.826 128 HB ILE 17 HB ILE 17 0.268 4.268 8.671 129 1HG1 ILE 17 1HG1 ILE 17 0.108 6.742 6.892 130 2HG1 ILE 17 2HG1 ILE 17 0.672 5.168 6.341 131 1HG2 ILE 17 1HG2 ILE 17 -0.228 7.205 9.277 132 2HG2 ILE 17 2HG2 ILE 17 -1.276 5.785 9.576 133 3HG2 ILE 17 3HG2 ILE 17 0.190 6.017 10.521 134 1HD1 ILE 17 1HD1 ILE 17 -2.107 5.779 7.394 135 2HD1 ILE 17 2HD1 ILE 17 -1.641 5.460 5.711 136 3HD1 ILE 17 3HD1 ILE 17 -1.514 4.167 6.915 137 H SER 18 H SER 18 2.925 6.580 6.516 138 HA SER 18 HA SER 18 4.065 8.974 7.710 139 1HB SER 18 1HB SER 18 4.789 7.586 5.529 140 2HB SER 18 2HB SER 18 3.525 8.623 4.797 141 HG SER 18 HG SER 18 5.508 9.856 6.335 142 H GLU 19 H GLU 19 3.530 11.078 6.636 143 HA GLU 19 HA GLU 19 0.714 11.574 6.935 144 1HB GLU 19 1HB GLU 19 2.834 13.414 5.819 145 2HB GLU 19 2HB GLU 19 1.355 13.948 6.545 146 1HG GLU 19 1HG GLU 19 2.302 14.008 8.623 147 2HG GLU 19 2HG GLU 19 3.079 12.429 8.448 148 H HIS 20 H HIS 20 2.855 11.178 4.170 149 HA HIS 20 HA HIS 20 0.728 11.982 2.229 150 1HB HIS 20 1HB HIS 20 3.632 12.634 1.723 151 2HB HIS 20 2HB HIS 20 2.187 13.381 1.072 152 HD1 HIS 20 1HD HIS 20 4.824 13.947 3.761 153 HD2 HIS 20 2HD HIS 20 0.783 15.043 2.974 154 HE1 HIS 20 1HE HIS 20 4.318 15.964 5.197 155 HE2 HIS 20 2HE HIS 20 1.895 16.634 4.771 156 H PHE 21 H PHE 21 2.133 11.410 -0.027 157 HA PHE 21 HA PHE 21 2.936 8.541 0.294 158 1HB PHE 21 1HB PHE 21 0.741 8.461 -0.605 159 2HB PHE 21 2HB PHE 21 1.072 9.768 -1.739 160 HD1 PHE 21 1HD PHE 21 2.273 9.396 -3.819 161 HD2 PHE 21 2HD PHE 21 1.738 6.168 -0.994 162 HE1 PHE 21 1HE PHE 21 3.045 7.760 -5.540 163 HE2 PHE 21 2HE PHE 21 2.637 4.584 -2.679 164 HZ PHE 21 HZ PHE 21 3.358 5.404 -4.897 165 H GLY 22 H GLY 22 3.225 11.573 -1.589 166 1HA GLY 22 1HA GLY 22 5.158 10.402 -3.389 167 2HA GLY 22 2HA GLY 22 4.537 12.050 -3.390 168 H ARG 23 H ARG 23 5.764 11.371 -0.341 169 HA ARG 23 HA ARG 23 8.531 11.421 -0.917 170 1HB ARG 23 1HB ARG 23 9.140 13.321 0.562 171 2HB ARG 23 2HB ARG 23 8.513 13.777 -0.991 172 1HG ARG 23 1HG ARG 23 6.497 13.677 1.256 173 2HG ARG 23 2HG ARG 23 7.785 14.854 1.390 174 1HD ARG 23 1HD ARG 23 7.010 15.275 -1.219 175 2HD ARG 23 2HD ARG 23 5.482 14.790 -0.489 176 HE ARG 23 HE ARG 23 6.037 16.549 1.281 177 1HH1 ARG 23 2HH2 ARG 23 7.530 16.990 -1.949 178 2HH1 ARG 23 1HH2 ARG 23 7.339 18.701 -1.936 179 1HH2 ARG 23 2HH1 ARG 23 6.210 18.858 1.435 180 2HH2 ARG 23 1HH1 ARG 23 7.027 19.712 0.204 181 H ALA 24 H ALA 24 7.151 9.483 -0.084 182 HA ALA 24 HA ALA 24 7.177 9.230 2.858 183 1HB ALA 24 1HB ALA 24 6.456 7.238 0.657 184 2HB ALA 24 2HB ALA 24 6.328 6.965 2.404 185 3HB ALA 24 3HB ALA 24 5.285 8.178 1.619 186 HA PRO 25 HA PRO 25 11.369 7.697 1.978 187 1HB PRO 25 1HB PRO 25 12.009 6.637 4.424 188 2HB PRO 25 2HB PRO 25 11.971 8.369 4.086 189 1HG PRO 25 1HG PRO 25 9.782 6.726 5.364 190 2HG PRO 25 2HG PRO 25 10.427 8.291 5.905 191 1HD PRO 25 1HD PRO 25 8.150 8.112 4.456 192 2HD PRO 25 2HD PRO 25 9.302 9.447 4.190 193 H TYR 26 H TYR 26 8.717 5.572 3.120 194 HA TYR 26 HA TYR 26 9.911 3.367 1.593 195 1HB TYR 26 1HB TYR 26 8.868 2.887 4.386 196 2HB TYR 26 2HB TYR 26 9.650 1.735 3.342 197 HD1 TYR 26 1HD TYR 26 10.166 4.690 5.543 198 HD2 TYR 26 2HD TYR 26 12.064 1.451 3.425 199 HE1 TYR 26 1HE TYR 26 12.336 5.311 6.560 200 HE2 TYR 26 2HE TYR 26 14.221 2.056 4.463 201 HH TYR 26 HH TYR 26 15.333 3.506 5.735 202 H PHE 27 H PHE 27 8.332 1.700 1.185 203 HA PHE 27 HA PHE 27 5.464 2.385 1.618 204 1HB PHE 27 1HB PHE 27 6.725 1.186 -0.881 205 2HB PHE 27 2HB PHE 27 5.020 1.165 -0.598 206 HD1 PHE 27 1HD PHE 27 4.605 4.009 0.496 207 HD2 PHE 27 2HD PHE 27 6.876 2.513 -2.814 208 HE1 PHE 27 1HE PHE 27 4.557 6.250 -0.553 209 HE2 PHE 27 2HE PHE 27 6.818 4.745 -3.878 210 HZ PHE 27 HZ PHE 27 5.646 6.626 -2.738 211 H ALA 28 H ALA 28 4.675 0.839 2.955 212 HA ALA 28 HA ALA 28 5.827 -1.886 2.917 213 1HB ALA 28 1HB ALA 28 5.366 -0.965 5.138 214 2HB ALA 28 2HB ALA 28 3.687 -0.612 4.664 215 3HB ALA 28 3HB ALA 28 4.246 -2.296 4.775 216 H PHE 29 H PHE 29 5.252 -2.485 0.791 217 HA PHE 29 HA PHE 29 2.389 -2.617 0.070 218 1HB PHE 29 1HB PHE 29 4.968 -3.057 -1.287 219 2HB PHE 29 2HB PHE 29 3.750 -4.250 -1.680 220 HD1 PHE 29 1HD PHE 29 1.150 -2.755 -1.941 221 HD2 PHE 29 2HD PHE 29 5.129 -1.637 -3.154 222 HE1 PHE 29 1HE PHE 29 0.211 -1.122 -3.420 223 HE2 PHE 29 2HE PHE 29 4.129 -0.270 -4.952 224 HZ PHE 29 HZ PHE 29 1.663 0.154 -4.982 225 H VAL 30 H VAL 30 1.548 -3.731 1.785 226 HA VAL 30 HA VAL 30 2.598 -6.390 2.546 227 HB VAL 30 HB VAL 30 -0.039 -4.968 3.309 228 1HG1 VAL 30 1HG1 VAL 30 1.594 -7.098 4.730 229 2HG1 VAL 30 2HG1 VAL 30 0.147 -6.312 5.391 230 3HG1 VAL 30 3HG1 VAL 30 0.018 -7.322 3.946 231 1HG2 VAL 30 1HG2 VAL 30 1.656 -3.376 3.962 232 2HG2 VAL 30 2HG2 VAL 30 1.144 -4.225 5.411 233 3HG2 VAL 30 3HG2 VAL 30 2.689 -4.653 4.643 234 H LYS 31 H LYS 31 1.468 -8.345 2.053 235 HA LYS 31 HA LYS 31 -0.014 -8.060 -0.519 236 1HB LYS 31 1HB LYS 31 1.311 -10.472 0.738 237 2HB LYS 31 2HB LYS 31 0.534 -10.419 -0.862 238 1HG LYS 31 1HG LYS 31 2.187 -8.500 -1.390 239 2HG LYS 31 2HG LYS 31 2.966 -8.862 0.095 240 1HD LYS 31 1HD LYS 31 4.254 -9.949 -1.559 241 2HD LYS 31 2HD LYS 31 3.355 -11.248 -0.769 242 1HE LYS 31 1HE LYS 31 1.764 -11.317 -2.616 243 2HE LYS 31 2HE LYS 31 2.495 -9.896 -3.371 244 1HZ LYS 31 1HZ LYS 31 3.247 -11.956 -4.427 245 2HZ LYS 31 2HZ LYS 31 4.509 -11.212 -3.743 246 3HZ LYS 31 3HZ LYS 31 3.845 -12.518 -3.017 247 H VAL 32 H VAL 32 -1.588 -10.327 -0.558 248 HA VAL 32 HA VAL 32 -2.798 -10.656 2.017 249 HB VAL 32 HB VAL 32 -4.534 -9.997 -0.412 250 1HG1 VAL 32 1HG1 VAL 32 -5.484 -10.756 2.375 251 2HG1 VAL 32 2HG1 VAL 32 -6.502 -10.237 1.021 252 3HG1 VAL 32 3HG1 VAL 32 -5.635 -11.763 0.915 253 1HG2 VAL 32 1HG2 VAL 32 -4.224 -8.513 2.234 254 2HG2 VAL 32 2HG2 VAL 32 -3.784 -7.923 0.615 255 3HG2 VAL 32 3HG2 VAL 32 -5.481 -8.168 1.028 256 H LYS 33 H LYS 33 -3.520 -12.703 2.251 257 HA LYS 33 HA LYS 33 -3.699 -14.632 0.023 258 1HB LYS 33 1HB LYS 33 -1.430 -14.989 0.831 259 2HB LYS 33 2HB LYS 33 -1.954 -14.862 2.511 260 1HG LYS 33 1HG LYS 33 -3.422 -17.034 1.330 261 2HG LYS 33 2HG LYS 33 -1.749 -17.197 0.811 262 1HD LYS 33 1HD LYS 33 -2.043 -18.425 2.898 263 2HD LYS 33 2HD LYS 33 -0.999 -17.025 3.170 264 1HE LYS 33 1HE LYS 33 -3.055 -15.771 3.984 265 2HE LYS 33 2HE LYS 33 -3.982 -17.259 3.839 266 1HZ LYS 33 1HZ LYS 33 -1.600 -16.907 5.561 267 2HZ LYS 33 2HZ LYS 33 -3.181 -16.792 6.062 268 3HZ LYS 33 3HZ LYS 33 -2.581 -18.222 5.542 269 H ASN 34 H ASN 34 -5.669 -15.675 0.427 270 HA ASN 34 HA ASN 34 -7.717 -15.936 1.442 271 1HB ASN 34 1HB ASN 34 -5.659 -17.538 2.812 272 2HB ASN 34 2HB ASN 34 -7.154 -17.403 3.712 273 1HD2 ASN 34 1HD2 ASN 34 -5.710 -19.427 1.558 274 2HD2 ASN 34 2HD2 ASN 34 -7.168 -20.079 0.850 275 H ASN 35 H ASN 35 -7.639 -13.538 1.772 276 HA ASN 35 HA ASN 35 -8.070 -11.627 2.891 277 1HB ASN 35 1HB ASN 35 -10.021 -13.499 3.646 278 2HB ASN 35 2HB ASN 35 -9.508 -12.781 5.170 279 1HD2 ASN 35 1HD2 ASN 35 -12.216 -12.357 3.889 280 2HD2 ASN 35 2HD2 ASN 35 -12.205 -10.683 3.369 281 H ALA 36 H ALA 36 -5.627 -13.175 4.025 282 HA ALA 36 HA ALA 36 -5.361 -11.490 6.453 283 1HB ALA 36 1HB ALA 36 -3.916 -13.203 7.373 284 2HB ALA 36 2HB ALA 36 -5.447 -13.960 6.910 285 3HB ALA 36 3HB ALA 36 -4.003 -14.153 5.871 286 H ILE 37 H ILE 37 -2.829 -11.156 6.808 287 HA ILE 37 HA ILE 37 -2.090 -9.428 4.771 288 HB ILE 37 HB ILE 37 -1.075 -10.404 7.414 289 1HG1 ILE 37 1HG1 ILE 37 -0.813 -7.862 7.678 290 2HG1 ILE 37 2HG1 ILE 37 -1.531 -7.710 6.089 291 1HG2 ILE 37 1HG2 ILE 37 1.063 -10.637 6.375 292 2HG2 ILE 37 2HG2 ILE 37 0.924 -9.060 5.590 293 3HG2 ILE 37 3HG2 ILE 37 1.043 -9.168 7.355 294 1HD1 ILE 37 1HD1 ILE 37 -3.615 -8.716 6.862 295 2HD1 ILE 37 2HD1 ILE 37 -2.870 -9.172 8.414 296 3HD1 ILE 37 3HD1 ILE 37 -3.141 -7.467 8.028 297 H ALA 38 H ALA 38 -1.417 -12.757 4.862 298 HA ALA 38 HA ALA 38 0.134 -14.137 3.994 299 1HB ALA 38 1HB ALA 38 0.712 -12.191 1.772 300 2HB ALA 38 2HB ALA 38 0.682 -13.958 1.748 301 3HB ALA 38 3HB ALA 38 -0.817 -13.000 1.877 302 H ASP 39 H ASP 39 1.560 -10.936 3.369 303 HA ASP 39 HA ASP 39 4.271 -11.772 4.264 304 1HB ASP 39 1HB ASP 39 3.238 -11.964 1.538 305 2HB ASP 39 2HB ASP 39 4.395 -10.663 1.579 306 H ILE 40 H ILE 40 5.722 -9.932 4.112 307 HA ILE 40 HA ILE 40 4.426 -7.245 4.041 308 HB ILE 40 HB ILE 40 6.724 -8.333 5.714 309 1HG1 ILE 40 1HG1 ILE 40 4.391 -8.728 6.586 310 2HG1 ILE 40 2HG1 ILE 40 5.474 -7.864 7.657 311 1HG2 ILE 40 1HG2 ILE 40 5.929 -5.412 5.423 312 2HG2 ILE 40 2HG2 ILE 40 6.940 -6.059 6.733 313 3HG2 ILE 40 3HG2 ILE 40 7.501 -6.171 5.074 314 1HD1 ILE 40 1HD1 ILE 40 3.379 -6.463 5.950 315 2HD1 ILE 40 2HD1 ILE 40 3.132 -6.944 7.633 316 3HD1 ILE 40 3HD1 ILE 40 4.372 -5.744 7.235 317 H SER 41 H SER 41 5.589 -5.666 2.861 318 HA SER 41 HA SER 41 8.310 -6.194 1.905 319 1HB SER 41 1HB SER 41 6.006 -6.327 0.148 320 2HB SER 41 2HB SER 41 6.927 -4.893 -0.258 321 HG SER 41 HG SER 41 8.413 -6.083 -1.050 322 H VAL 42 H VAL 42 8.722 -4.814 3.706 323 HA VAL 42 HA VAL 42 7.870 -2.009 3.408 324 HB VAL 42 HB VAL 42 7.989 -2.942 5.651 325 1HG1 VAL 42 1HG1 VAL 42 9.949 -4.478 5.379 326 2HG1 VAL 42 2HG1 VAL 42 11.010 -3.065 5.387 327 3HG1 VAL 42 3HG1 VAL 42 10.033 -3.444 6.813 328 1HG2 VAL 42 1HG2 VAL 42 9.172 -1.078 6.682 329 2HG2 VAL 42 2HG2 VAL 42 10.017 -0.733 5.155 330 3HG2 VAL 42 3HG2 VAL 42 8.255 -0.535 5.267 331 H GLU 43 H GLU 43 8.616 -1.399 1.503 332 HA GLU 43 HA GLU 43 11.426 -1.971 0.715 333 1HB GLU 43 1HB GLU 43 8.853 -1.334 -0.736 334 2HB GLU 43 2HB GLU 43 10.426 -1.382 -1.557 335 1HG GLU 43 1HG GLU 43 10.772 -3.667 -1.094 336 2HG GLU 43 2HG GLU 43 9.496 -3.752 0.122 337 H GLU 44 H GLU 44 12.822 -0.385 0.358 338 HA GLU 44 HA GLU 44 12.376 2.276 1.391 339 1HB GLU 44 1HB GLU 44 14.594 1.061 -0.306 340 2HB GLU 44 2HB GLU 44 14.717 2.608 0.517 341 1HG GLU 44 1HG GLU 44 14.999 1.665 2.582 342 2HG GLU 44 2HG GLU 44 14.118 0.184 2.210 343 H ASN 45 H ASN 45 12.081 4.117 0.312 344 HA ASN 45 HA ASN 45 10.824 3.907 -2.318 345 1HB ASN 45 1HB ASN 45 9.898 5.301 -0.473 346 2HB ASN 45 2HB ASN 45 11.254 6.379 -0.583 347 1HD2 ASN 45 1HD2 ASN 45 11.599 7.134 -2.943 348 2HD2 ASN 45 2HD2 ASN 45 10.130 7.722 -3.751 349 HA PRO 46 HA PRO 46 14.949 4.736 -3.951 350 1HB PRO 46 1HB PRO 46 14.513 4.338 -6.649 351 2HB PRO 46 2HB PRO 46 14.719 3.046 -5.441 352 1HG PRO 46 1HG PRO 46 12.118 4.106 -6.570 353 2HG PRO 46 2HG PRO 46 12.606 2.423 -6.290 354 1HD PRO 46 1HD PRO 46 11.031 3.828 -4.552 355 2HD PRO 46 2HD PRO 46 12.180 2.575 -4.029 356 H LEU 47 H LEU 47 12.143 6.646 -4.717 357 HA LEU 47 HA LEU 47 13.937 8.870 -5.678 358 1HB LEU 47 1HB LEU 47 11.043 8.285 -6.407 359 2HB LEU 47 2HB LEU 47 11.998 9.643 -6.989 360 HG LEU 47 HG LEU 47 11.573 8.263 -8.723 361 1HD1 LEU 47 1HD1 LEU 47 14.453 7.851 -7.926 362 2HD1 LEU 47 2HD1 LEU 47 13.798 7.812 -9.579 363 3HD1 LEU 47 3HD1 LEU 47 13.770 9.334 -8.643 364 1HD2 LEU 47 1HD2 LEU 47 12.997 5.905 -7.544 365 2HD2 LEU 47 2HD2 LEU 47 11.218 6.099 -7.480 366 3HD2 LEU 47 3HD2 LEU 47 12.059 5.983 -9.030 367 H ALA 48 H ALA 48 13.210 8.466 -2.758 368 HA ALA 48 HA ALA 48 10.772 9.464 -2.060 369 1HB ALA 48 1HB ALA 48 13.336 9.824 -0.474 370 2HB ALA 48 2HB ALA 48 11.671 9.761 0.146 371 3HB ALA 48 3HB ALA 48 12.401 8.309 -0.546 372 H GLN 49 H GLN 49 13.742 11.411 -2.681 373 HA GLN 49 HA GLN 49 11.894 13.634 -3.036 374 1HB GLN 49 1HB GLN 49 13.085 13.433 -0.605 375 2HB GLN 49 2HB GLN 49 14.375 14.281 -1.462 376 1HG GLN 49 1HG GLN 49 12.639 15.986 -2.177 377 2HG GLN 49 2HG GLN 49 11.470 15.164 -1.138 378 1HE2 GLN 49 1HE2 GLN 49 13.427 14.565 1.029 379 2HE2 GLN 49 2HE2 GLN 49 13.800 16.076 1.794 380 H ASP 50 H ASP 50 13.457 12.032 -4.986 381 HA ASP 50 HA ASP 50 15.636 13.968 -5.668 382 1HB ASP 50 1HB ASP 50 16.302 11.691 -4.714 383 2HB ASP 50 2HB ASP 50 15.796 11.020 -6.279 384 H HIS 51 H HIS 51 15.624 14.789 -7.635 385 HA HIS 51 HA HIS 51 14.975 15.506 -9.607 386 1HB HIS 51 1HB HIS 51 14.242 12.614 -10.156 387 2HB HIS 51 2HB HIS 51 14.146 13.890 -11.347 388 HD1 HIS 51 1HD HIS 51 16.217 11.248 -11.175 389 HD2 HIS 51 2HD HIS 51 17.052 15.340 -10.535 390 HE1 HIS 51 1HE HIS 51 18.681 11.633 -11.819 391 HE2 HIS 51 2HE HIS 51 19.195 14.064 -11.344 392 H VAL 52 H VAL 52 12.460 13.511 -8.083 393 HA VAL 52 HA VAL 52 10.269 13.800 -7.820 394 HB VAL 52 HB VAL 52 10.921 16.754 -7.763 395 1HG1 VAL 52 1HG1 VAL 52 9.267 16.698 -5.841 396 2HG1 VAL 52 2HG1 VAL 52 8.540 16.392 -7.410 397 3HG1 VAL 52 3HG1 VAL 52 8.859 15.036 -6.297 398 1HG2 VAL 52 1HG2 VAL 52 11.385 14.588 -5.656 399 2HG2 VAL 52 2HG2 VAL 52 12.632 15.598 -6.430 400 3HG2 VAL 52 3HG2 VAL 52 11.473 16.332 -5.351 401 H HIS 53 H HIS 53 11.184 13.651 -10.633 402 HA HIS 53 HA HIS 53 9.558 15.352 -12.274 403 1HB HIS 53 1HB HIS 53 11.605 14.049 -13.032 404 2HB HIS 53 2HB HIS 53 10.634 12.588 -13.042 405 HD1 HIS 53 1HD HIS 53 9.197 12.240 -15.316 406 HD2 HIS 53 2HD HIS 53 10.901 16.079 -14.726 407 HE1 HIS 53 1HE HIS 53 8.665 13.630 -17.410 408 HE2 HIS 53 2HE HIS 53 9.850 15.885 -17.114 409 H GLY 54 H GLY 54 9.216 11.826 -11.756 410 1HA GLY 54 1HA GLY 54 6.612 11.726 -10.719 411 2HA GLY 54 2HA GLY 54 6.471 11.706 -12.489 412 H ALA 55 H ALA 55 9.095 10.364 -10.388 413 HA ALA 55 HA ALA 55 8.698 7.758 -11.777 414 1HB ALA 55 1HB ALA 55 10.770 8.738 -12.378 415 2HB ALA 55 2HB ALA 55 11.179 9.085 -10.689 416 3HB ALA 55 3HB ALA 55 11.100 7.402 -11.260 417 H VAL 56 H VAL 56 8.445 9.253 -8.609 418 HA VAL 56 HA VAL 56 8.864 7.003 -6.985 419 HB VAL 56 HB VAL 56 7.127 9.455 -6.870 420 1HG1 VAL 56 1HG1 VAL 56 5.384 7.963 -6.127 421 2HG1 VAL 56 2HG1 VAL 56 6.510 7.143 -5.021 422 3HG1 VAL 56 3HG1 VAL 56 6.036 8.823 -4.739 423 1HG2 VAL 56 1HG2 VAL 56 9.340 9.529 -5.955 424 2HG2 VAL 56 2HG2 VAL 56 8.176 9.696 -4.637 425 3HG2 VAL 56 3HG2 VAL 56 8.980 8.140 -4.899 426 HA PRO 57 HA PRO 57 4.441 5.460 -8.044 427 1HB PRO 57 1HB PRO 57 3.192 6.397 -10.300 428 2HB PRO 57 2HB PRO 57 2.952 7.057 -8.648 429 1HG PRO 57 1HG PRO 57 4.408 8.214 -10.971 430 2HG PRO 57 2HG PRO 57 3.676 9.035 -9.560 431 1HD PRO 57 1HD PRO 57 6.398 8.328 -10.009 432 2HD PRO 57 2HD PRO 57 5.750 9.052 -8.531 433 H ASN 58 H ASN 58 6.759 6.201 -10.571 434 HA ASN 58 HA ASN 58 5.894 4.140 -12.397 435 1HB ASN 58 1HB ASN 58 7.217 6.327 -12.883 436 2HB ASN 58 2HB ASN 58 8.647 5.407 -12.352 437 1HD2 ASN 58 1HD2 ASN 58 9.716 4.799 -14.274 438 2HD2 ASN 58 2HD2 ASN 58 8.838 4.207 -15.684 439 H PHE 59 H PHE 59 8.036 4.254 -9.649 440 HA PHE 59 HA PHE 59 9.031 1.523 -9.930 441 1HB PHE 59 1HB PHE 59 10.341 2.905 -8.547 442 2HB PHE 59 2HB PHE 59 8.957 3.690 -7.819 443 HD1 PHE 59 1HD PHE 59 8.317 3.141 -5.659 444 HD2 PHE 59 2HD PHE 59 10.539 0.270 -7.998 445 HE1 PHE 59 1HE PHE 59 8.587 1.684 -3.662 446 HE2 PHE 59 2HE PHE 59 10.743 -1.185 -5.970 447 HZ PHE 59 HZ PHE 59 9.763 -0.462 -3.812 448 H VAL 60 H VAL 60 6.500 2.901 -7.661 449 HA VAL 60 HA VAL 60 5.756 0.313 -6.924 450 HB VAL 60 HB VAL 60 3.541 1.418 -6.212 451 1HG1 VAL 60 1HG1 VAL 60 5.716 1.127 -4.775 452 2HG1 VAL 60 2HG1 VAL 60 6.091 2.784 -5.206 453 3HG1 VAL 60 3HG1 VAL 60 4.611 2.423 -4.286 454 1HG2 VAL 60 1HG2 VAL 60 4.985 3.968 -6.766 455 2HG2 VAL 60 2HG2 VAL 60 3.685 3.307 -7.828 456 3HG2 VAL 60 3HG2 VAL 60 3.326 3.708 -6.153 457 H LYS 61 H LYS 61 4.615 1.935 -9.793 458 HA LYS 61 HA LYS 61 2.423 0.141 -10.328 459 1HB LYS 61 1HB LYS 61 3.044 2.415 -11.456 460 2HB LYS 61 2HB LYS 61 4.129 1.467 -12.469 461 1HG LYS 61 1HG LYS 61 1.597 0.120 -12.582 462 2HG LYS 61 2HG LYS 61 1.211 1.815 -12.545 463 1HD LYS 61 1HD LYS 61 1.380 1.336 -14.836 464 2HD LYS 61 2HD LYS 61 2.933 2.114 -14.461 465 1HE LYS 61 1HE LYS 61 3.872 -0.252 -14.079 466 2HE LYS 61 2HE LYS 61 2.314 -0.867 -14.620 467 1HZ LYS 61 1HZ LYS 61 2.788 0.410 -16.746 468 2HZ LYS 61 2HZ LYS 61 4.338 0.560 -16.200 469 3HZ LYS 61 3HZ LYS 61 3.692 -0.926 -16.467 470 H GLU 62 H GLU 62 5.749 -0.530 -10.306 471 HA GLU 62 HA GLU 62 5.467 -2.867 -12.094 472 1HB GLU 62 1HB GLU 62 7.743 -3.037 -12.090 473 2HB GLU 62 2HB GLU 62 7.520 -1.303 -11.971 474 1HG GLU 62 1HG GLU 62 8.900 -1.276 -10.231 475 2HG GLU 62 2HG GLU 62 7.739 -2.188 -9.277 476 H LYS 63 H LYS 63 4.953 -2.066 -8.781 477 HA LYS 63 HA LYS 63 5.883 -4.644 -7.742 478 1HB LYS 63 1HB LYS 63 4.552 -2.301 -6.340 479 2HB LYS 63 2HB LYS 63 5.410 -3.611 -5.553 480 1HG LYS 63 1HG LYS 63 6.674 -1.571 -7.434 481 2HG LYS 63 2HG LYS 63 6.714 -1.485 -5.690 482 1HD LYS 63 1HD LYS 63 7.876 -3.862 -7.206 483 2HD LYS 63 2HD LYS 63 8.785 -2.388 -6.854 484 1HE LYS 63 1HE LYS 63 8.265 -2.628 -4.443 485 2HE LYS 63 2HE LYS 63 7.351 -4.095 -4.764 486 1HZ LYS 63 1HZ LYS 63 9.419 -4.636 -3.956 487 2HZ LYS 63 2HZ LYS 63 9.430 -5.133 -5.512 488 3HZ LYS 63 3HZ LYS 63 10.275 -3.769 -5.041 489 H GLY 64 H GLY 64 3.515 -4.727 -9.491 490 1HA GLY 64 1HA GLY 64 1.547 -5.874 -9.665 491 2HA GLY 64 2HA GLY 64 2.158 -6.854 -8.335 492 H ALA 65 H ALA 65 1.302 -3.368 -8.004 493 HA ALA 65 HA ALA 65 -0.101 -4.002 -5.608 494 1HB ALA 65 1HB ALA 65 -0.081 -1.400 -7.164 495 2HB ALA 65 2HB ALA 65 -0.457 -1.644 -5.428 496 3HB ALA 65 3HB ALA 65 1.177 -1.974 -6.036 497 H GLU 66 H GLU 66 -2.296 -3.184 -5.103 498 HA GLU 66 HA GLU 66 -4.314 -3.328 -7.278 499 1HB GLU 66 1HB GLU 66 -3.731 -5.474 -5.313 500 2HB GLU 66 2HB GLU 66 -5.416 -4.971 -5.346 501 1HG GLU 66 1HG GLU 66 -5.692 -5.495 -7.621 502 2HG GLU 66 2HG GLU 66 -3.948 -5.664 -7.893 503 H LEU 67 H LEU 67 -3.512 -2.843 -3.811 504 HA LEU 67 HA LEU 67 -5.598 -0.741 -3.684 505 1HB LEU 67 1HB LEU 67 -6.168 -2.925 -2.390 506 2HB LEU 67 2HB LEU 67 -4.760 -2.595 -1.401 507 HG LEU 67 HG LEU 67 -5.831 -0.389 -0.724 508 1HD1 LEU 67 1HD1 LEU 67 -8.319 -0.254 -1.163 509 2HD1 LEU 67 2HD1 LEU 67 -7.307 0.019 -2.569 510 3HD1 LEU 67 3HD1 LEU 67 -8.127 -1.552 -2.355 511 1HD2 LEU 67 1HD2 LEU 67 -7.170 -3.042 -0.154 512 2HD2 LEU 67 2HD2 LEU 67 -6.041 -2.106 0.856 513 3HD2 LEU 67 3HD2 LEU 67 -7.680 -1.548 0.635 514 H VAL 68 H VAL 68 -4.961 1.074 -2.360 515 HA VAL 68 HA VAL 68 -2.388 0.860 -0.952 516 HB VAL 68 HB VAL 68 -3.103 3.364 -2.529 517 1HG1 VAL 68 1HG1 VAL 68 -0.680 3.918 -2.070 518 2HG1 VAL 68 2HG1 VAL 68 -1.614 3.692 -0.576 519 3HG1 VAL 68 3HG1 VAL 68 -0.569 2.421 -1.157 520 1HG2 VAL 68 1HG2 VAL 68 -1.131 1.189 -3.360 521 2HG2 VAL 68 2HG2 VAL 68 -2.588 1.704 -4.224 522 3HG2 VAL 68 3HG2 VAL 68 -1.233 2.811 -4.066 523 H ILE 69 H ILE 69 -2.439 2.055 1.002 524 HA ILE 69 HA ILE 69 -4.960 3.428 1.739 525 HB ILE 69 HB ILE 69 -3.277 1.488 3.381 526 1HG1 ILE 69 1HG1 ILE 69 -6.215 1.233 2.626 527 2HG1 ILE 69 2HG1 ILE 69 -4.901 0.384 1.825 528 1HG2 ILE 69 1HG2 ILE 69 -5.189 2.023 5.114 529 2HG2 ILE 69 2HG2 ILE 69 -3.870 3.157 4.926 530 3HG2 ILE 69 3HG2 ILE 69 -5.443 3.461 4.141 531 1HD1 ILE 69 1HD1 ILE 69 -5.773 -1.169 3.373 532 2HD1 ILE 69 2HD1 ILE 69 -4.272 -0.582 4.126 533 3HD1 ILE 69 3HD1 ILE 69 -5.843 0.009 4.686 534 H VAL 70 H VAL 70 -4.376 5.541 1.973 535 HA VAL 70 HA VAL 70 -1.653 6.152 3.048 536 HB VAL 70 HB VAL 70 -1.424 7.977 1.509 537 1HG1 VAL 70 1HG1 VAL 70 -1.159 6.864 -0.583 538 2HG1 VAL 70 2HG1 VAL 70 -0.887 5.641 0.664 539 3HG1 VAL 70 3HG1 VAL 70 -2.437 5.702 -0.207 540 1HG2 VAL 70 1HG2 VAL 70 -3.242 8.140 -0.394 541 2HG2 VAL 70 2HG2 VAL 70 -4.293 7.396 0.769 542 3HG2 VAL 70 3HG2 VAL 70 -3.546 8.944 1.175 543 H ARG 71 H ARG 71 -1.573 8.546 3.780 544 HA ARG 71 HA ARG 71 -4.026 9.112 5.345 545 1HB ARG 71 1HB ARG 71 -1.833 8.745 6.455 546 2HB ARG 71 2HB ARG 71 -1.252 10.251 5.765 547 1HG ARG 71 1HG ARG 71 -2.612 11.564 7.148 548 2HG ARG 71 2HG ARG 71 -3.878 10.356 7.179 549 1HD ARG 71 1HD ARG 71 -2.032 8.961 8.561 550 2HD ARG 71 2HD ARG 71 -1.482 10.555 9.011 551 HE ARG 71 HE ARG 71 -4.056 9.189 9.443 552 1HH1 ARG 71 2HH2 ARG 71 -2.368 12.267 10.000 553 2HH1 ARG 71 1HH2 ARG 71 -3.521 12.840 11.163 554 1HH2 ARG 71 2HH1 ARG 71 -5.653 10.010 10.884 555 2HH2 ARG 71 1HH1 ARG 71 -5.416 11.460 11.730 556 H GLY 72 H GLY 72 -1.526 11.264 3.805 557 1HA GLY 72 1HA GLY 72 -3.715 12.835 2.525 558 2HA GLY 72 2HA GLY 72 -2.398 13.547 3.460 559 H ILE 73 H ILE 73 -2.973 11.361 0.762 560 HA ILE 73 HA ILE 73 -0.597 11.839 -0.750 561 HB ILE 73 HB ILE 73 -1.980 9.816 -0.786 562 1HG1 ILE 73 1HG1 ILE 73 -2.288 10.774 -3.619 563 2HG1 ILE 73 2HG1 ILE 73 -0.688 10.537 -2.903 564 1HG2 ILE 73 1HG2 ILE 73 -4.259 10.860 -0.555 565 2HG2 ILE 73 2HG2 ILE 73 -4.152 11.433 -2.226 566 3HG2 ILE 73 3HG2 ILE 73 -4.216 9.706 -1.886 567 1HD1 ILE 73 1HD1 ILE 73 -2.828 8.383 -3.003 568 2HD1 ILE 73 2HD1 ILE 73 -1.519 8.556 -4.169 569 3HD1 ILE 73 3HD1 ILE 73 -1.143 8.206 -2.475 570 H GLY 74 H GLY 74 -1.298 12.505 -3.383 571 1HA GLY 74 1HA GLY 74 -3.364 14.510 -3.510 572 2HA GLY 74 2HA GLY 74 -1.739 15.115 -3.873 573 H ARG 75 H ARG 75 -3.687 15.174 -5.794 574 HA ARG 75 HA ARG 75 -4.378 13.088 -7.243 575 1HB ARG 75 1HB ARG 75 -4.256 15.939 -7.713 576 2HB ARG 75 2HB ARG 75 -3.949 15.137 -9.227 577 1HG ARG 75 1HG ARG 75 -6.343 14.509 -7.451 578 2HG ARG 75 2HG ARG 75 -6.352 15.604 -8.843 579 1HD ARG 75 1HD ARG 75 -5.853 13.841 -10.385 580 2HD ARG 75 2HD ARG 75 -5.510 12.702 -9.081 581 HE ARG 75 HE ARG 75 -8.220 13.779 -9.025 582 1HH1 ARG 75 2HH2 ARG 75 -6.227 11.267 -10.590 583 2HH1 ARG 75 1HH2 ARG 75 -7.623 10.302 -10.973 584 1HH2 ARG 75 2HH1 ARG 75 -9.950 12.396 -9.385 585 2HH2 ARG 75 1HH1 ARG 75 -9.752 10.861 -10.166 586 H ARG 76 H ARG 76 -1.230 14.601 -7.740 587 HA ARG 76 HA ARG 76 -0.588 13.328 -10.200 588 1HB ARG 76 1HB ARG 76 1.735 13.779 -9.713 589 2HB ARG 76 2HB ARG 76 0.712 15.148 -9.292 590 1HG ARG 76 1HG ARG 76 0.706 14.016 -6.870 591 2HG ARG 76 2HG ARG 76 2.101 13.135 -7.481 592 1HD ARG 76 1HD ARG 76 3.390 15.125 -7.620 593 2HD ARG 76 2HD ARG 76 1.980 16.121 -7.926 594 HE ARG 76 HE ARG 76 3.206 15.863 -5.401 595 1HH1 ARG 76 2HH2 ARG 76 0.062 16.445 -6.867 596 2HH1 ARG 76 1HH2 ARG 76 -0.729 16.790 -5.377 597 1HH2 ARG 76 2HH1 ARG 76 2.193 16.431 -3.430 598 2HH2 ARG 76 1HH1 ARG 76 0.487 16.780 -3.414 599 H ALA 77 H ALA 77 -0.701 11.996 -6.963 600 HA ALA 77 HA ALA 77 0.671 9.560 -7.905 601 1HB ALA 77 1HB ALA 77 0.417 8.844 -5.550 602 2HB ALA 77 2HB ALA 77 1.346 10.348 -5.750 603 3HB ALA 77 3HB ALA 77 -0.354 10.407 -5.195 604 H ILE 78 H ILE 78 -2.628 10.765 -6.937 605 HA ILE 78 HA ILE 78 -3.992 8.307 -7.040 606 HB ILE 78 HB ILE 78 -5.011 10.922 -8.120 607 1HG1 ILE 78 1HG1 ILE 78 -4.301 11.313 -5.841 608 2HG1 ILE 78 2HG1 ILE 78 -6.052 11.258 -5.950 609 1HG2 ILE 78 1HG2 ILE 78 -6.442 9.066 -8.809 610 2HG2 ILE 78 2HG2 ILE 78 -6.478 8.424 -7.171 611 3HG2 ILE 78 3HG2 ILE 78 -7.257 9.975 -7.535 612 1HD1 ILE 78 1HD1 ILE 78 -4.267 9.065 -4.857 613 2HD1 ILE 78 2HD1 ILE 78 -5.328 10.151 -3.939 614 3HD1 ILE 78 3HD1 ILE 78 -6.043 8.950 -5.014 615 H ALA 79 H ALA 79 -2.963 10.548 -9.702 616 HA ALA 79 HA ALA 79 -4.141 9.119 -11.849 617 1HB ALA 79 1HB ALA 79 -3.348 11.446 -11.999 618 2HB ALA 79 2HB ALA 79 -1.660 10.888 -11.777 619 3HB ALA 79 3HB ALA 79 -2.569 10.435 -13.229 620 H ALA 80 H ALA 80 -1.342 8.177 -9.898 621 HA ALA 80 HA ALA 80 -0.105 6.604 -11.973 622 1HB ALA 80 1HB ALA 80 1.161 5.644 -10.139 623 2HB ALA 80 2HB ALA 80 1.105 7.431 -9.955 624 3HB ALA 80 3HB ALA 80 0.129 6.373 -8.919 625 H PHE 81 H PHE 81 -2.001 5.789 -9.003 626 HA PHE 81 HA PHE 81 -2.401 3.149 -9.528 627 1HB PHE 81 1HB PHE 81 -3.952 5.202 -7.927 628 2HB PHE 81 2HB PHE 81 -4.042 3.475 -7.676 629 HD1 PHE 81 1HD PHE 81 -1.545 2.281 -7.593 630 HD2 PHE 81 2HD PHE 81 -2.451 6.340 -6.455 631 HE1 PHE 81 1HE PHE 81 0.569 2.384 -6.360 632 HE2 PHE 81 2HE PHE 81 -0.261 6.462 -5.257 633 HZ PHE 81 HZ PHE 81 1.220 4.456 -5.187 634 H GLU 82 H GLU 82 -4.348 5.938 -10.561 635 HA GLU 82 HA GLU 82 -6.453 4.596 -11.869 636 1HB GLU 82 1HB GLU 82 -4.871 7.107 -12.486 637 2HB GLU 82 2HB GLU 82 -6.086 6.552 -13.591 638 1HG GLU 82 1HG GLU 82 -7.400 6.495 -11.056 639 2HG GLU 82 2HG GLU 82 -6.345 7.887 -10.977 640 H ALA 83 H ALA 83 -3.011 4.828 -12.964 641 HA ALA 83 HA ALA 83 -3.575 3.904 -15.651 642 1HB ALA 83 1HB ALA 83 -0.985 3.577 -14.134 643 2HB ALA 83 2HB ALA 83 -1.206 3.824 -15.869 644 3HB ALA 83 3HB ALA 83 -1.493 5.180 -14.742 645 H MET 84 H MET 84 -3.573 2.290 -12.653 646 HA MET 84 HA MET 84 -3.133 -0.371 -13.936 647 1HB MET 84 1HB MET 84 -2.111 -0.945 -11.594 648 2HB MET 84 2HB MET 84 -1.141 -0.193 -12.845 649 1HG MET 84 1HG MET 84 -1.346 1.986 -11.820 650 2HG MET 84 2HG MET 84 -2.465 1.348 -10.613 651 1HE MET 84 1HE MET 84 -0.263 3.092 -9.368 652 2HE MET 84 2HE MET 84 1.357 2.389 -9.212 653 3HE MET 84 3HE MET 84 0.744 2.909 -10.794 654 H GLY 85 H GLY 85 -5.515 1.508 -12.829 655 1HA GLY 85 1HA GLY 85 -7.575 1.104 -12.037 656 2HA GLY 85 2HA GLY 85 -7.303 -0.616 -12.221 657 H VAL 86 H VAL 86 -5.111 1.209 -10.202 658 HA VAL 86 HA VAL 86 -5.704 -0.626 -7.999 659 HB VAL 86 HB VAL 86 -3.594 1.548 -8.528 660 1HG1 VAL 86 1HG1 VAL 86 -2.478 0.640 -6.406 661 2HG1 VAL 86 2HG1 VAL 86 -3.891 1.688 -6.155 662 3HG1 VAL 86 3HG1 VAL 86 -4.041 -0.062 -5.987 663 1HG2 VAL 86 1HG2 VAL 86 -2.102 -0.451 -8.487 664 2HG2 VAL 86 2HG2 VAL 86 -3.497 -1.485 -8.161 665 3HG2 VAL 86 3HG2 VAL 86 -3.383 -0.637 -9.695 666 H LYS 87 H LYS 87 -7.277 -0.232 -6.636 667 HA LYS 87 HA LYS 87 -8.654 2.290 -6.294 668 1HB LYS 87 1HB LYS 87 -9.530 -0.029 -5.843 669 2HB LYS 87 2HB LYS 87 -8.603 0.007 -4.342 670 1HG LYS 87 1HG LYS 87 -9.895 2.355 -4.063 671 2HG LYS 87 2HG LYS 87 -11.023 1.608 -5.178 672 1HD LYS 87 1HD LYS 87 -10.077 0.403 -2.535 673 2HD LYS 87 2HD LYS 87 -11.528 1.383 -2.750 674 1HE LYS 87 1HE LYS 87 -12.367 -0.797 -2.803 675 2HE LYS 87 2HE LYS 87 -12.303 -0.267 -4.473 676 1HZ LYS 87 1HZ LYS 87 -10.651 -2.262 -3.122 677 2HZ LYS 87 2HZ LYS 87 -11.510 -2.419 -4.472 678 3HZ LYS 87 3HZ LYS 87 -10.090 -1.600 -4.534 679 H VAL 88 H VAL 88 -8.491 3.869 -4.619 680 HA VAL 88 HA VAL 88 -5.982 3.794 -3.047 681 HB VAL 88 HB VAL 88 -7.169 6.272 -4.349 682 1HG1 VAL 88 1HG1 VAL 88 -4.596 5.624 -2.876 683 2HG1 VAL 88 2HG1 VAL 88 -4.830 7.113 -3.800 684 3HG1 VAL 88 3HG1 VAL 88 -5.850 6.771 -2.396 685 1HG2 VAL 88 1HG2 VAL 88 -6.411 4.905 -6.210 686 2HG2 VAL 88 2HG2 VAL 88 -5.267 6.195 -5.957 687 3HG2 VAL 88 3HG2 VAL 88 -4.876 4.551 -5.384 688 H ILE 89 H ILE 89 -6.631 3.466 -0.989 689 HA ILE 89 HA ILE 89 -9.008 4.844 0.122 690 HB ILE 89 HB ILE 89 -7.100 2.680 0.985 691 1HG1 ILE 89 1HG1 ILE 89 -10.141 2.804 1.084 692 2HG1 ILE 89 2HG1 ILE 89 -9.270 2.354 -0.382 693 1HG2 ILE 89 1HG2 ILE 89 -8.039 2.613 3.218 694 2HG2 ILE 89 2HG2 ILE 89 -7.237 4.167 2.958 695 3HG2 ILE 89 3HG2 ILE 89 -8.990 4.067 2.899 696 1HD1 ILE 89 1HD1 ILE 89 -8.093 0.584 1.003 697 2HD1 ILE 89 2HD1 ILE 89 -9.365 0.863 2.220 698 3HD1 ILE 89 3HD1 ILE 89 -9.795 0.329 0.568 699 H LYS 90 H LYS 90 -8.737 6.430 1.727 700 HA LYS 90 HA LYS 90 -6.054 7.621 2.107 701 1HB LYS 90 1HB LYS 90 -8.640 8.981 1.281 702 2HB LYS 90 2HB LYS 90 -7.414 9.851 2.167 703 1HG LYS 90 1HG LYS 90 -6.284 10.297 0.345 704 2HG LYS 90 2HG LYS 90 -6.167 8.600 -0.126 705 1HD LYS 90 1HD LYS 90 -8.692 10.257 -0.642 706 2HD LYS 90 2HD LYS 90 -7.312 10.243 -1.746 707 1HE LYS 90 1HE LYS 90 -8.228 8.481 -2.708 708 2HE LYS 90 2HE LYS 90 -7.608 7.557 -1.355 709 1HZ LYS 90 1HZ LYS 90 -9.900 7.958 -0.337 710 2HZ LYS 90 2HZ LYS 90 -10.353 8.458 -1.869 711 3HZ LYS 90 3HZ LYS 90 -9.772 6.976 -1.680 712 H GLY 91 H GLY 91 -6.230 9.205 4.006 713 1HA GLY 91 1HA GLY 91 -6.948 9.898 6.013 714 2HA GLY 91 2HA GLY 91 -8.493 9.095 5.697 715 H ALA 92 H ALA 92 -5.767 6.988 5.620 716 HA ALA 92 HA ALA 92 -6.691 5.597 8.035 717 1HB ALA 92 1HB ALA 92 -4.258 5.238 6.226 718 2HB ALA 92 2HB ALA 92 -4.724 4.130 7.539 719 3HB ALA 92 3HB ALA 92 -5.800 4.352 6.156 720 H SER 93 H SER 93 -5.115 5.056 9.853 721 HA SER 93 HA SER 93 -2.905 6.839 10.347 722 1HB SER 93 1HB SER 93 -3.904 7.694 12.466 723 2HB SER 93 2HB SER 93 -4.703 8.274 11.016 724 HG SER 93 HG SER 93 -5.611 6.604 13.003 725 H GLY 94 H GLY 94 -1.581 5.839 11.994 726 1HA GLY 94 1HA GLY 94 -1.711 4.254 13.956 727 2HA GLY 94 2HA GLY 94 -2.527 3.112 12.902 728 H THR 95 H THR 95 -0.892 1.534 13.343 729 HA THR 95 HA THR 95 1.759 1.950 12.079 730 HB THR 95 HB THR 95 2.263 -0.259 12.961 731 HG1 THR 95 1HG THR 95 0.464 -1.275 14.266 732 1HG2 THR 95 1HG2 THR 95 2.078 -0.026 15.349 733 2HG2 THR 95 2HG2 THR 95 2.474 1.547 14.630 734 3HG2 THR 95 3HG2 THR 95 0.816 1.210 15.191 735 H VAL 96 H VAL 96 2.320 -0.216 10.760 736 HA VAL 96 HA VAL 96 0.549 -0.163 8.488 737 HB VAL 96 HB VAL 96 3.078 -1.655 9.221 738 1HG1 VAL 96 1HG1 VAL 96 1.382 -2.401 6.814 739 2HG1 VAL 96 2HG1 VAL 96 3.087 -2.846 7.053 740 3HG1 VAL 96 3HG1 VAL 96 1.855 -3.483 8.141 741 1HG2 VAL 96 1HG2 VAL 96 2.227 -0.053 6.799 742 2HG2 VAL 96 2HG2 VAL 96 2.989 0.621 8.246 743 3HG2 VAL 96 3HG2 VAL 96 3.876 -0.556 7.237 744 H GLU 97 H GLU 97 1.340 -2.685 10.941 745 HA GLU 97 HA GLU 97 -0.606 -4.417 9.726 746 1HB GLU 97 1HB GLU 97 -0.391 -5.976 11.424 747 2HB GLU 97 2HB GLU 97 1.185 -5.428 10.868 748 1HG GLU 97 1HG GLU 97 1.561 -4.239 12.923 749 2HG GLU 97 2HG GLU 97 -0.099 -4.457 13.437 750 H GLU 98 H GLU 98 -0.921 -1.926 12.080 751 HA GLU 98 HA GLU 98 -3.601 -2.570 12.950 752 1HB GLU 98 1HB GLU 98 -2.168 -1.046 14.219 753 2HB GLU 98 2HB GLU 98 -2.178 0.116 12.867 754 1HG GLU 98 1HG GLU 98 -4.621 0.324 13.057 755 2HG GLU 98 2HG GLU 98 -4.648 -0.856 14.363 756 H VAL 99 H VAL 99 -2.363 -0.142 10.386 757 HA VAL 99 HA VAL 99 -4.922 0.582 9.586 758 HB VAL 99 HB VAL 99 -2.145 0.604 8.357 759 1HG1 VAL 99 1HG1 VAL 99 -2.955 2.066 6.598 760 2HG1 VAL 99 2HG1 VAL 99 -3.629 0.447 6.430 761 3HG1 VAL 99 3HG1 VAL 99 -4.641 1.736 7.127 762 1HG2 VAL 99 1HG2 VAL 99 -4.101 2.785 9.245 763 2HG2 VAL 99 2HG2 VAL 99 -2.716 2.237 10.201 764 3HG2 VAL 99 3HG2 VAL 99 -2.453 3.060 8.649 765 H VAL 100 H VAL 100 -2.878 -2.145 8.451 766 HA VAL 100 HA VAL 100 -4.740 -2.888 6.365 767 HB VAL 100 HB VAL 100 -2.787 -4.718 7.836 768 1HG1 VAL 100 1HG1 VAL 100 -3.001 -6.053 5.676 769 2HG1 VAL 100 2HG1 VAL 100 -4.483 -6.007 6.641 770 3HG1 VAL 100 3HG1 VAL 100 -4.327 -4.979 5.204 771 1HG2 VAL 100 1HG2 VAL 100 -1.333 -4.401 5.842 772 2HG2 VAL 100 2HG2 VAL 100 -2.466 -3.187 5.209 773 3HG2 VAL 100 3HG2 VAL 100 -1.568 -2.892 6.711 774 H ASN 101 H ASN 101 -4.509 -3.699 9.893 775 HA ASN 101 HA ASN 101 -6.695 -5.578 9.781 776 1HB ASN 101 1HB ASN 101 -5.089 -5.538 11.641 777 2HB ASN 101 2HB ASN 101 -5.655 -3.937 12.134 778 1HD2 ASN 101 1HD2 ASN 101 -7.467 -3.836 13.497 779 2HD2 ASN 101 2HD2 ASN 101 -8.397 -5.249 13.951 780 H GLN 102 H GLN 102 -6.586 -2.012 10.374 781 HA GLN 102 HA GLN 102 -9.332 -1.677 10.993 782 1HB GLN 102 1HB GLN 102 -7.563 0.284 9.434 783 2HB GLN 102 2HB GLN 102 -9.103 0.639 10.186 784 1HG GLN 102 1HG GLN 102 -8.255 0.427 12.392 785 2HG GLN 102 2HG GLN 102 -6.729 -0.248 11.832 786 1HE2 GLN 102 1HE2 GLN 102 -6.005 1.830 13.374 787 2HE2 GLN 102 2HE2 GLN 102 -5.643 3.165 12.326 788 H TYR 103 H TYR 103 -7.675 -1.699 7.789 789 HA TYR 103 HA TYR 103 -10.168 -1.266 6.377 790 1HB TYR 103 1HB TYR 103 -8.369 -0.481 5.220 791 2HB TYR 103 2HB TYR 103 -7.345 -1.828 5.552 792 HD1 TYR 103 1HD TYR 103 -10.398 -0.832 3.622 793 HD2 TYR 103 2HD TYR 103 -7.195 -3.699 4.054 794 HE1 TYR 103 1HE TYR 103 -11.104 -1.921 1.535 795 HE2 TYR 103 2HE TYR 103 -7.868 -4.761 1.903 796 HH TYR 103 HH TYR 103 -10.153 -5.005 0.657 797 H LEU 104 H LEU 104 -8.245 -4.237 7.063 798 HA LEU 104 HA LEU 104 -10.051 -5.857 5.515 799 1HB LEU 104 1HB LEU 104 -8.115 -6.589 7.749 800 2HB LEU 104 2HB LEU 104 -9.050 -7.767 6.843 801 HG LEU 104 HG LEU 104 -6.934 -5.900 5.677 802 1HD1 LEU 104 1HD1 LEU 104 -6.140 -7.890 7.003 803 2HD1 LEU 104 2HD1 LEU 104 -7.005 -8.929 5.836 804 3HD1 LEU 104 3HD1 LEU 104 -5.660 -7.923 5.295 805 1HD2 LEU 104 1HD2 LEU 104 -8.705 -7.928 4.292 806 2HD2 LEU 104 2HD2 LEU 104 -8.608 -6.175 3.966 807 3HD2 LEU 104 3HD2 LEU 104 -7.228 -7.208 3.575 808 H SER 105 H SER 105 -10.272 -4.429 8.679 809 HA SER 105 HA SER 105 -12.555 -6.052 9.570 810 1HB SER 105 1HB SER 105 -11.192 -3.512 10.512 811 2HB SER 105 2HB SER 105 -12.769 -3.961 11.132 812 HG SER 105 HG SER 105 -11.084 -4.714 12.409 813 H GLY 106 H GLY 106 -12.209 -3.674 7.130 814 1HA GLY 106 1HA GLY 106 -13.855 -2.875 5.763 815 2HA GLY 106 2HA GLY 106 -15.098 -3.290 6.941 816 H GLN 107 H GLN 107 -12.630 -1.546 8.545 817 HA GLN 107 HA GLN 107 -14.478 0.536 9.198 818 1HB GLN 107 1HB GLN 107 -11.442 0.528 9.536 819 2HB GLN 107 2HB GLN 107 -12.589 1.599 10.311 820 1HG GLN 107 1HG GLN 107 -13.544 -0.263 11.575 821 2HG GLN 107 2HG GLN 107 -12.393 -1.374 10.818 822 1HE2 GLN 107 1HE2 GLN 107 -11.577 -1.851 13.099 823 2HE2 GLN 107 2HE2 GLN 107 -10.429 -0.706 13.775 824 H LEU 108 H LEU 108 -11.785 0.379 6.961 825 HA LEU 108 HA LEU 108 -11.360 3.176 6.835 826 1HB LEU 108 1HB LEU 108 -10.141 0.744 5.805 827 2HB LEU 108 2HB LEU 108 -10.129 1.841 4.521 828 HG LEU 108 HG LEU 108 -8.090 2.277 5.449 829 1HD1 LEU 108 1HD1 LEU 108 -9.554 4.106 7.373 830 2HD1 LEU 108 2HD1 LEU 108 -7.947 4.262 6.733 831 3HD1 LEU 108 3HD1 LEU 108 -9.312 4.500 5.628 832 1HD2 LEU 108 1HD2 LEU 108 -8.197 0.719 7.245 833 2HD2 LEU 108 2HD2 LEU 108 -7.577 2.233 7.876 834 3HD2 LEU 108 3HD2 LEU 108 -9.269 1.789 8.190 835 H LYS 109 H LYS 109 -11.223 4.462 4.622 836 HA LYS 109 HA LYS 109 -13.658 3.891 3.014 837 1HB LYS 109 1HB LYS 109 -13.385 6.073 4.848 838 2HB LYS 109 2HB LYS 109 -13.233 6.754 3.264 839 1HG LYS 109 1HG LYS 109 -15.498 6.898 3.677 840 2HG LYS 109 2HG LYS 109 -15.384 5.497 2.634 841 1HD LYS 109 1HD LYS 109 -15.195 4.764 5.511 842 2HD LYS 109 2HD LYS 109 -16.637 5.720 5.161 843 1HE LYS 109 1HE LYS 109 -17.078 4.059 3.236 844 2HE LYS 109 2HE LYS 109 -15.836 3.039 3.996 845 1HZ LYS 109 1HZ LYS 109 -17.188 3.138 6.038 846 2HZ LYS 109 2HZ LYS 109 -18.338 3.993 5.236 847 3HZ LYS 109 3HZ LYS 109 -18.014 2.441 4.802 848 H ASP 110 H ASP 110 -13.751 5.064 1.068 849 HA ASP 110 HA ASP 110 -11.116 5.277 -0.277 850 1HB ASP 110 1HB ASP 110 -11.774 3.708 -1.964 851 2HB ASP 110 2HB ASP 110 -11.892 2.946 -0.391 852 H SER 111 H SER 111 -12.571 7.438 0.423 853 HA SER 111 HA SER 111 -14.552 8.560 -1.052 854 1HB SER 111 1HB SER 111 -11.981 9.608 0.131 855 2HB SER 111 2HB SER 111 -12.995 10.705 -0.826 856 HG SER 111 HG SER 111 -14.553 10.567 0.623 857 H ASP 112 H ASP 112 -14.581 10.129 -2.815 858 HA ASP 112 HA ASP 112 -13.031 9.009 -5.018 859 1HB ASP 112 1HB ASP 112 -15.097 8.279 -6.041 860 2HB ASP 112 2HB ASP 112 -14.810 7.493 -4.508 861 H TYR 113 H TYR 113 -12.586 10.380 -6.383 862 HA TYR 113 HA TYR 113 -13.175 13.176 -5.841 863 1HB TYR 113 1HB TYR 113 -10.918 11.717 -5.933 864 2HB TYR 113 2HB TYR 113 -10.949 12.204 -7.608 865 HD1 TYR 113 1HD TYR 113 -11.514 14.900 -7.882 866 HD2 TYR 113 2HD TYR 113 -9.842 13.012 -4.382 867 HE1 TYR 113 1HE TYR 113 -10.451 17.042 -7.232 868 HE2 TYR 113 2HE TYR 113 -8.681 15.148 -3.793 869 HH TYR 113 HH TYR 113 -8.777 17.944 -6.042 870 H GLU 114 H GLU 114 -14.408 14.357 -7.139 871 HA GLU 114 HA GLU 114 -15.561 13.384 -9.516 872 1HB GLU 114 1HB GLU 114 -16.597 15.677 -9.610 873 2HB GLU 114 2HB GLU 114 -16.821 14.810 -8.095 874 1HG GLU 114 1HG GLU 114 -14.946 16.144 -7.080 875 2HG GLU 114 2HG GLU 114 -14.802 17.036 -8.601 876 H VAL 115 H VAL 115 -15.422 13.895 -11.584 877 HA VAL 115 HA VAL 115 -14.229 14.080 -13.518 878 HB VAL 115 HB VAL 115 -14.601 17.025 -12.869 879 1HG1 VAL 115 1HG1 VAL 115 -13.565 16.614 -15.063 880 2HG1 VAL 115 2HG1 VAL 115 -14.770 15.367 -15.426 881 3HG1 VAL 115 3HG1 VAL 115 -15.245 17.070 -15.314 882 1HG2 VAL 115 1HG2 VAL 115 -16.648 15.908 -12.187 883 2HG2 VAL 115 2HG2 VAL 115 -16.932 16.704 -13.724 884 3HG2 VAL 115 3HG2 VAL 115 -16.680 14.946 -13.685 885 H HIS 116 H HIS 116 -12.329 13.232 -12.201 886 HA HIS 116 HA HIS 116 -10.193 13.059 -11.762 887 1HB HIS 116 1HB HIS 116 -9.953 13.519 -14.113 888 2HB HIS 116 2HB HIS 116 -9.737 15.235 -13.805 889 HD1 HIS 116 1HD HIS 116 -7.755 12.207 -14.362 890 HD2 HIS 116 2HD HIS 116 -7.424 15.897 -12.313 891 HE1 HIS 116 1HE HIS 116 -5.257 12.702 -14.133 892 HE2 HIS 116 2HE HIS 116 -5.065 14.984 -12.915 893 H ASP 117 H ASP 117 -10.485 16.620 -12.041 894 HA ASP 117 HA ASP 117 -10.606 17.150 -9.363 895 1HB ASP 117 1HB ASP 117 -8.387 16.500 -8.865 896 2HB ASP 117 2HB ASP 117 -7.733 17.238 -10.333 897 H HIS 118 H HIS 118 -9.256 18.331 -12.432 898 HA HIS 118 HA HIS 118 -9.788 20.079 -13.716 899 1HB HIS 118 1HB HIS 118 -12.179 19.501 -12.332 900 2HB HIS 118 2HB HIS 118 -12.014 21.236 -12.190 901 HD1 HIS 118 1HD HIS 118 -14.134 19.328 -14.068 902 HD2 HIS 118 2HD HIS 118 -10.910 21.866 -15.163 903 HE1 HIS 118 1HE HIS 118 -14.505 19.951 -16.473 904 HE2 HIS 118 2HE HIS 118 -12.582 21.466 -17.197 905 H HIS 119 H HIS 119 -8.547 20.672 -10.587 906 HA HIS 119 HA HIS 119 -9.055 23.526 -10.597 907 1HB HIS 119 1HB HIS 119 -8.698 21.745 -8.617 908 2HB HIS 119 2HB HIS 119 -7.006 22.171 -8.834 909 HD1 HIS 119 1HD HIS 119 -6.822 23.467 -6.497 910 HD2 HIS 119 2HD HIS 119 -10.177 24.492 -8.854 911 HE1 HIS 119 1HE HIS 119 -8.078 25.327 -5.248 912 HE2 HIS 119 2HE HIS 119 -10.147 25.907 -6.718 913 H HIS 120 H HIS 120 -7.496 25.174 -10.814 914 HA HIS 120 HA HIS 120 -6.005 26.344 -11.898 915 1HB HIS 120 1HB HIS 120 -4.095 23.993 -11.830 916 2HB HIS 120 2HB HIS 120 -3.693 25.651 -12.192 917 HD1 HIS 120 1HD HIS 120 -1.832 25.587 -10.272 918 HD2 HIS 120 2HD HIS 120 -5.845 25.080 -8.988 919 HE1 HIS 120 1HE HIS 120 -1.853 25.737 -7.700 920 HE2 HIS 120 2HE HIS 120 -4.241 25.449 -6.933 921 H HIS 121 H HIS 121 -4.827 26.577 -14.061 922 HA HIS 121 HA HIS 121 -5.130 24.366 -15.931 923 1HB HIS 121 1HB HIS 121 -6.374 27.101 -16.421 924 2HB HIS 121 2HB HIS 121 -5.877 26.044 -17.743 925 HD1 HIS 121 1HD HIS 121 -8.578 26.261 -15.035 926 HD2 HIS 121 2HD HIS 121 -7.187 23.702 -18.090 927 HE1 HIS 121 1HE HIS 121 -10.354 24.445 -15.322 928 HE2 HIS 121 2HE HIS 121 -9.466 22.856 -17.216 929 H GLU 122 H GLU 122 -3.639 24.684 -17.805 930 HA GLU 122 HA GLU 122 -1.262 26.194 -16.897 931 1HB GLU 122 1HB GLU 122 0.016 24.733 -18.303 932 2HB GLU 122 2HB GLU 122 -1.025 23.850 -17.199 933 1HG GLU 122 1HG GLU 122 -2.623 23.966 -19.474 934 2HG GLU 122 2HG GLU 122 -1.004 23.921 -20.173 935 H HIS 123 H HIS 123 -3.441 26.186 -19.687 936 HA HIS 123 HA HIS 123 -3.884 27.725 -21.223 937 1HB HIS 123 1HB HIS 123 -3.624 29.329 -19.282 938 2HB HIS 123 2HB HIS 123 -1.977 29.629 -19.817 939 HD1 HIS 123 1HD HIS 123 -1.722 31.528 -21.589 940 HD2 HIS 123 2HD HIS 123 -5.581 29.818 -21.352 941 HE1 HIS 123 1HE HIS 123 -3.212 32.868 -23.211 942 HE2 HIS 123 2HE HIS 123 -5.564 31.813 -23.072 943 H HIS 124 H HIS 124 -0.419 26.993 -20.838 944 HA HIS 124 HA HIS 124 -0.215 26.770 -23.680 945 1HB HIS 124 1HB HIS 124 0.564 29.069 -23.669 946 2HB HIS 124 2HB HIS 124 1.442 28.825 -22.147 947 HD1 HIS 124 1HD HIS 124 1.679 26.810 -25.474 948 HD2 HIS 124 2HD HIS 124 3.978 28.607 -22.433 949 HE1 HIS 124 1HE HIS 124 4.128 26.198 -25.941 950 HE2 HIS 124 2HE HIS 124 5.504 27.252 -24.066 Start of MODEL 4 1 1H MET 1 1H MET 1 -3.151 -10.179 -3.874 2 HA MET 1 HA MET 1 -3.863 -7.421 -4.584 3 1HB MET 1 1HB MET 1 -5.916 -8.274 -3.826 4 2HB MET 1 2HB MET 1 -5.178 -9.079 -2.469 5 1HG MET 1 1HG MET 1 -6.098 -7.217 -1.443 6 2HG MET 1 2HG MET 1 -4.490 -6.621 -1.707 7 1HE MET 1 1HE MET 1 -8.218 -6.247 -2.229 8 2HE MET 1 2HE MET 1 -7.375 -5.133 -1.139 9 3HE MET 1 3HE MET 1 -8.193 -4.507 -2.592 10 H ILE 2 H ILE 2 -2.670 -5.868 -3.548 11 HA ILE 2 HA ILE 2 -0.791 -6.578 -1.432 12 HB ILE 2 HB ILE 2 0.141 -5.216 -3.962 13 1HG1 ILE 2 1HG1 ILE 2 0.448 -8.150 -3.222 14 2HG1 ILE 2 2HG1 ILE 2 -0.345 -7.478 -4.657 15 1HG2 ILE 2 1HG2 ILE 2 1.883 -6.493 -1.848 16 2HG2 ILE 2 2HG2 ILE 2 2.329 -5.317 -3.092 17 3HG2 ILE 2 3HG2 ILE 2 1.336 -4.836 -1.721 18 1HD1 ILE 2 1HD1 ILE 2 1.834 -6.686 -5.507 19 2HD1 ILE 2 2HD1 ILE 2 2.647 -7.395 -4.095 20 3HD1 ILE 2 3HD1 ILE 2 1.813 -8.445 -5.220 21 H ILE 3 H ILE 3 -0.400 -4.708 -0.195 22 HA ILE 3 HA ILE 3 -2.280 -2.459 -0.633 23 HB ILE 3 HB ILE 3 -1.588 -4.009 1.889 24 1HG1 ILE 3 1HG1 ILE 3 -4.426 -3.933 1.158 25 2HG1 ILE 3 2HG1 ILE 3 -3.491 -4.674 -0.130 26 1HG2 ILE 3 1HG2 ILE 3 -3.367 -2.632 2.935 27 2HG2 ILE 3 2HG2 ILE 3 -2.018 -1.639 2.381 28 3HG2 ILE 3 3HG2 ILE 3 -3.511 -1.690 1.425 29 1HD1 ILE 3 1HD1 ILE 3 -2.544 -6.267 1.500 30 2HD1 ILE 3 2HD1 ILE 3 -3.443 -5.469 2.816 31 3HD1 ILE 3 3HD1 ILE 3 -4.325 -6.305 1.529 32 H ALA 4 H ALA 4 -0.927 -0.755 -1.065 33 HA ALA 4 HA ALA 4 1.766 -0.592 0.153 34 1HB ALA 4 1HB ALA 4 0.423 0.810 -2.040 35 2HB ALA 4 2HB ALA 4 1.241 1.943 -0.934 36 3HB ALA 4 3HB ALA 4 2.161 0.645 -1.664 37 H ILE 5 H ILE 5 2.368 0.583 1.850 38 HA ILE 5 HA ILE 5 0.490 2.547 3.009 39 HB ILE 5 HB ILE 5 1.986 0.426 4.596 40 1HG1 ILE 5 1HG1 ILE 5 -0.958 0.627 3.779 41 2HG1 ILE 5 2HG1 ILE 5 0.169 -0.656 3.347 42 1HG2 ILE 5 1HG2 ILE 5 -0.173 2.444 5.330 43 2HG2 ILE 5 2HG2 ILE 5 0.669 1.387 6.476 44 3HG2 ILE 5 3HG2 ILE 5 1.554 2.683 5.684 45 1HD1 ILE 5 1HD1 ILE 5 -0.927 -0.166 6.126 46 2HD1 ILE 5 2HD1 ILE 5 -1.372 -1.436 4.982 47 3HD1 ILE 5 3HD1 ILE 5 0.265 -1.413 5.665 48 HA PRO 6 HA PRO 6 4.637 4.463 2.577 49 1HB PRO 6 1HB PRO 6 3.821 7.075 2.795 50 2HB PRO 6 2HB PRO 6 3.651 6.130 1.282 51 1HG PRO 6 1HG PRO 6 1.608 6.782 3.343 52 2HG PRO 6 2HG PRO 6 1.406 6.757 1.566 53 1HD PRO 6 1HD PRO 6 0.647 4.710 3.314 54 2HD PRO 6 2HD PRO 6 1.017 4.447 1.586 55 H VAL 7 H VAL 7 5.984 4.662 4.373 56 HA VAL 7 HA VAL 7 4.738 5.375 6.988 57 HB VAL 7 HB VAL 7 6.101 3.477 7.945 58 1HG1 VAL 7 1HG1 VAL 7 3.830 2.833 6.039 59 2HG1 VAL 7 2HG1 VAL 7 4.549 1.672 7.142 60 3HG1 VAL 7 3HG1 VAL 7 3.779 3.100 7.808 61 1HG2 VAL 7 1HG2 VAL 7 6.674 1.618 6.350 62 2HG2 VAL 7 2HG2 VAL 7 6.470 2.712 5.004 63 3HG2 VAL 7 3HG2 VAL 7 7.710 3.056 6.243 64 H SER 8 H SER 8 6.145 6.185 8.567 65 HA SER 8 HA SER 8 8.099 7.939 7.459 66 1HB SER 8 1HB SER 8 7.394 7.256 10.337 67 2HB SER 8 2HB SER 8 8.398 8.624 9.831 68 HG SER 8 HG SER 8 6.682 9.531 8.821 69 H GLU 9 H GLU 9 8.571 4.651 8.538 70 HA GLU 9 HA GLU 9 11.413 4.869 8.121 71 1HB GLU 9 1HB GLU 9 10.287 4.624 10.911 72 2HB GLU 9 2HB GLU 9 11.635 3.610 10.501 73 1HG GLU 9 1HG GLU 9 12.427 6.153 9.553 74 2HG GLU 9 2HG GLU 9 11.610 6.470 11.084 75 H ASN 10 H ASN 10 12.396 2.596 8.430 76 HA ASN 10 HA ASN 10 10.656 0.657 7.177 77 1HB ASN 10 1HB ASN 10 12.566 -0.611 6.762 78 2HB ASN 10 2HB ASN 10 13.006 1.058 6.500 79 1HD2 ASN 10 1HD2 ASN 10 14.943 -0.783 6.726 80 2HD2 ASN 10 2HD2 ASN 10 15.830 -0.571 8.208 81 H ARG 11 H ARG 11 9.685 1.152 9.747 82 HA ARG 11 HA ARG 11 10.795 -0.848 11.564 83 1HB ARG 11 1HB ARG 11 8.392 0.926 12.078 84 2HB ARG 11 2HB ARG 11 9.371 0.046 13.251 85 1HG ARG 11 1HG ARG 11 11.357 1.499 12.147 86 2HG ARG 11 2HG ARG 11 9.981 2.522 11.692 87 1HD ARG 11 1HD ARG 11 9.304 2.698 14.070 88 2HD ARG 11 2HD ARG 11 10.704 1.713 14.533 89 HE ARG 11 HE ARG 11 11.650 3.873 12.968 90 1HH1 ARG 11 2HH2 ARG 11 10.201 3.353 16.180 91 2HH1 ARG 11 1HH2 ARG 11 11.046 4.701 16.872 92 1HH2 ARG 11 2HH1 ARG 11 12.610 5.709 13.869 93 2HH2 ARG 11 1HH1 ARG 11 12.137 6.265 15.450 94 H GLY 12 H GLY 12 9.914 -2.213 9.355 95 1HA GLY 12 1HA GLY 12 7.610 -3.026 8.597 96 2HA GLY 12 2HA GLY 12 8.781 -4.227 9.047 97 H LYS 13 H LYS 13 5.687 -3.503 9.344 98 HA LYS 13 HA LYS 13 3.902 -4.343 10.522 99 1HB LYS 13 1HB LYS 13 5.588 -4.972 12.930 100 2HB LYS 13 2HB LYS 13 3.969 -5.491 12.602 101 1HG LYS 13 1HG LYS 13 4.625 -7.207 11.180 102 2HG LYS 13 2HG LYS 13 6.184 -6.489 10.795 103 1HD LYS 13 1HD LYS 13 5.425 -7.722 13.468 104 2HD LYS 13 2HD LYS 13 6.464 -8.440 12.234 105 1HE LYS 13 1HE LYS 13 8.124 -6.640 12.529 106 2HE LYS 13 2HE LYS 13 7.079 -5.848 13.716 107 1HZ LYS 13 1HZ LYS 13 8.380 -8.446 14.082 108 2HZ LYS 13 2HZ LYS 13 8.675 -7.021 14.881 109 3HZ LYS 13 3HZ LYS 13 7.253 -7.804 15.100 110 H ASP 14 H ASP 14 6.291 -3.007 12.835 111 HA ASP 14 HA ASP 14 4.485 -1.312 14.267 112 1HB ASP 14 1HB ASP 14 7.449 -1.834 14.147 113 2HB ASP 14 2HB ASP 14 6.945 -0.314 14.847 114 H SER 15 H SER 15 6.051 -0.922 11.273 115 HA SER 15 HA SER 15 6.798 1.500 10.594 116 1HB SER 15 1HB SER 15 4.608 0.098 9.161 117 2HB SER 15 2HB SER 15 5.922 1.083 8.508 118 HG SER 15 HG SER 15 7.165 -0.540 8.514 119 HA PRO 16 HA PRO 16 3.165 3.869 12.132 120 1HB PRO 16 1HB PRO 16 4.358 6.272 12.585 121 2HB PRO 16 2HB PRO 16 4.509 4.890 13.715 122 1HG PRO 16 1HG PRO 16 6.466 5.776 11.583 123 2HG PRO 16 2HG PRO 16 6.815 5.354 13.280 124 1HD PRO 16 1HD PRO 16 7.131 3.602 11.187 125 2HD PRO 16 2HD PRO 16 6.665 3.059 12.827 126 H ILE 17 H ILE 17 1.757 4.666 10.633 127 HA ILE 17 HA ILE 17 2.562 4.937 7.971 128 HB ILE 17 HB ILE 17 0.308 4.311 8.965 129 1HG1 ILE 17 1HG1 ILE 17 -0.071 6.319 6.754 130 2HG1 ILE 17 2HG1 ILE 17 0.945 4.898 6.491 131 1HG2 ILE 17 1HG2 ILE 17 -0.225 7.289 9.000 132 2HG2 ILE 17 2HG2 ILE 17 -1.347 5.941 9.338 133 3HG2 ILE 17 3HG2 ILE 17 0.002 6.266 10.433 134 1HD1 ILE 17 1HD1 ILE 17 -1.955 4.842 7.367 135 2HD1 ILE 17 2HD1 ILE 17 -1.249 4.302 5.817 136 3HD1 ILE 17 3HD1 ILE 17 -0.880 3.426 7.297 137 H SER 18 H SER 18 3.141 6.592 6.709 138 HA SER 18 HA SER 18 3.914 9.184 7.835 139 1HB SER 18 1HB SER 18 4.664 7.556 5.585 140 2HB SER 18 2HB SER 18 3.969 9.002 4.922 141 HG SER 18 HG SER 18 5.535 10.214 5.936 142 H GLU 19 H GLU 19 3.153 11.108 6.440 143 HA GLU 19 HA GLU 19 0.168 10.975 6.279 144 1HB GLU 19 1HB GLU 19 2.093 13.302 6.228 145 2HB GLU 19 2HB GLU 19 0.401 13.464 5.883 146 1HG GLU 19 1HG GLU 19 0.680 11.989 8.380 147 2HG GLU 19 2HG GLU 19 1.663 13.440 8.457 148 H HIS 20 H HIS 20 3.004 11.995 4.256 149 HA HIS 20 HA HIS 20 1.068 12.177 1.935 150 1HB HIS 20 1HB HIS 20 3.843 13.457 2.354 151 2HB HIS 20 2HB HIS 20 2.913 13.551 0.892 152 HD1 HIS 20 1HD HIS 20 3.408 16.316 1.835 153 HD2 HIS 20 2HD HIS 20 0.418 13.911 3.640 154 HE1 HIS 20 1HE HIS 20 1.764 17.882 3.070 155 HE2 HIS 20 2HE HIS 20 0.022 16.337 4.236 156 H PHE 21 H PHE 21 1.250 10.872 0.290 157 HA PHE 21 HA PHE 21 3.070 8.591 0.296 158 1HB PHE 21 1HB PHE 21 0.848 8.457 -0.699 159 2HB PHE 21 2HB PHE 21 1.198 9.825 -1.757 160 HD1 PHE 21 1HD PHE 21 2.439 9.566 -3.811 161 HD2 PHE 21 2HD PHE 21 1.971 6.241 -1.088 162 HE1 PHE 21 1HE PHE 21 3.155 7.968 -5.608 163 HE2 PHE 21 2HE PHE 21 2.815 4.704 -2.851 164 HZ PHE 21 HZ PHE 21 3.408 5.598 -5.095 165 H GLY 22 H GLY 22 2.877 11.801 -1.340 166 1HA GLY 22 1HA GLY 22 4.761 11.164 -3.299 167 2HA GLY 22 2HA GLY 22 4.227 12.794 -2.870 168 H ARG 23 H ARG 23 5.635 11.606 -0.068 169 HA ARG 23 HA ARG 23 8.460 11.897 -0.797 170 1HB ARG 23 1HB ARG 23 7.088 13.693 1.273 171 2HB ARG 23 2HB ARG 23 8.819 13.576 1.037 172 1HG ARG 23 1HG ARG 23 6.889 14.672 -1.062 173 2HG ARG 23 2HG ARG 23 7.819 15.613 0.101 174 1HD ARG 23 1HD ARG 23 9.898 14.422 -0.804 175 2HD ARG 23 2HD ARG 23 8.914 13.871 -2.144 176 HE ARG 23 HE ARG 23 8.513 16.202 -2.758 177 1HH1 ARG 23 2HH2 ARG 23 11.197 15.641 -0.446 178 2HH1 ARG 23 1HH2 ARG 23 11.989 17.113 -0.824 179 1HH2 ARG 23 2HH1 ARG 23 9.623 18.228 -3.197 180 2HH2 ARG 23 1HH1 ARG 23 11.258 18.401 -2.612 181 H ALA 24 H ALA 24 6.827 9.642 -0.009 182 HA ALA 24 HA ALA 24 7.017 9.231 2.875 183 1HB ALA 24 1HB ALA 24 5.268 8.182 1.458 184 2HB ALA 24 2HB ALA 24 6.515 7.299 0.553 185 3HB ALA 24 3HB ALA 24 6.276 6.956 2.277 186 HA PRO 25 HA PRO 25 11.326 7.937 2.173 187 1HB PRO 25 1HB PRO 25 12.050 7.078 4.657 188 2HB PRO 25 2HB PRO 25 11.796 8.794 4.246 189 1HG PRO 25 1HG PRO 25 9.852 6.921 5.577 190 2HG PRO 25 2HG PRO 25 10.290 8.571 6.068 191 1HD PRO 25 1HD PRO 25 8.043 8.049 4.602 192 2HD PRO 25 2HD PRO 25 9.004 9.538 4.349 193 H TYR 26 H TYR 26 8.794 5.676 3.199 194 HA TYR 26 HA TYR 26 10.248 3.440 1.925 195 1HB TYR 26 1HB TYR 26 9.062 3.428 4.715 196 2HB TYR 26 2HB TYR 26 9.570 1.976 3.862 197 HD1 TYR 26 1HD TYR 26 11.945 1.415 3.645 198 HD2 TYR 26 2HD TYR 26 10.628 4.932 5.716 199 HE1 TYR 26 1HE TYR 26 14.250 1.809 4.452 200 HE2 TYR 26 2HE TYR 26 12.996 5.435 6.404 201 HH TYR 26 HH TYR 26 15.300 4.791 6.087 202 H PHE 27 H PHE 27 8.769 1.671 1.426 203 HA PHE 27 HA PHE 27 5.864 2.269 1.662 204 1HB PHE 27 1HB PHE 27 7.245 1.120 -0.790 205 2HB PHE 27 2HB PHE 27 5.536 1.051 -0.532 206 HD1 PHE 27 1HD PHE 27 7.642 2.624 -2.512 207 HD2 PHE 27 2HD PHE 27 4.738 3.704 0.459 208 HE1 PHE 27 1HE PHE 27 7.280 4.751 -3.675 209 HE2 PHE 27 2HE PHE 27 4.457 5.907 -0.647 210 HZ PHE 27 HZ PHE 27 5.659 6.442 -2.713 211 H ALA 28 H ALA 28 5.215 0.880 3.154 212 HA ALA 28 HA ALA 28 6.143 -1.929 3.167 213 1HB ALA 28 1HB ALA 28 4.135 -0.400 4.865 214 2HB ALA 28 2HB ALA 28 4.497 -2.130 5.024 215 3HB ALA 28 3HB ALA 28 5.761 -0.924 5.359 216 H PHE 29 H PHE 29 5.495 -2.594 1.161 217 HA PHE 29 HA PHE 29 2.636 -2.597 0.441 218 1HB PHE 29 1HB PHE 29 5.169 -3.303 -0.931 219 2HB PHE 29 2HB PHE 29 3.825 -4.379 -1.243 220 HD1 PHE 29 1HD PHE 29 1.451 -2.743 -1.421 221 HD2 PHE 29 2HD PHE 29 5.427 -1.921 -2.871 222 HE1 PHE 29 1HE PHE 29 0.506 -1.254 -3.130 223 HE2 PHE 29 2HE PHE 29 4.425 -0.606 -4.737 224 HZ PHE 29 HZ PHE 29 1.933 -0.203 -4.819 225 H VAL 30 H VAL 30 1.667 -3.689 2.076 226 HA VAL 30 HA VAL 30 2.706 -6.320 2.956 227 HB VAL 30 HB VAL 30 0.148 -4.740 3.609 228 1HG1 VAL 30 1HG1 VAL 30 1.155 -7.368 4.743 229 2HG1 VAL 30 2HG1 VAL 30 0.070 -6.306 5.657 230 3HG1 VAL 30 3HG1 VAL 30 -0.447 -6.960 4.120 231 1HG2 VAL 30 1HG2 VAL 30 2.014 -3.535 4.504 232 2HG2 VAL 30 2HG2 VAL 30 1.302 -4.438 5.842 233 3HG2 VAL 30 3HG2 VAL 30 2.785 -5.030 5.084 234 H LYS 31 H LYS 31 1.075 -8.249 2.600 235 HA LYS 31 HA LYS 31 -0.358 -7.919 -0.002 236 1HB LYS 31 1HB LYS 31 0.970 -10.367 1.182 237 2HB LYS 31 2HB LYS 31 0.050 -10.318 -0.331 238 1HG LYS 31 1HG LYS 31 1.895 -8.329 -0.757 239 2HG LYS 31 2HG LYS 31 2.796 -9.429 0.301 240 1HD LYS 31 1HD LYS 31 2.278 -11.303 -1.281 241 2HD LYS 31 2HD LYS 31 1.373 -10.156 -2.280 242 1HE LYS 31 1HE LYS 31 3.523 -10.502 -3.291 243 2HE LYS 31 2HE LYS 31 3.447 -8.847 -2.670 244 1HZ LYS 31 1HZ LYS 31 4.746 -11.113 -1.271 245 2HZ LYS 31 2HZ LYS 31 5.550 -10.023 -2.148 246 3HZ LYS 31 3HZ LYS 31 4.769 -9.535 -0.789 247 H VAL 32 H VAL 32 -1.962 -10.005 -0.077 248 HA VAL 32 HA VAL 32 -2.870 -10.793 2.534 249 HB VAL 32 HB VAL 32 -4.497 -9.132 2.207 250 1HG1 VAL 32 1HG1 VAL 32 -4.713 -9.993 -0.659 251 2HG1 VAL 32 2HG1 VAL 32 -5.847 -8.856 0.122 252 3HG1 VAL 32 3HG1 VAL 32 -4.141 -8.415 -0.042 253 1HG2 VAL 32 1HG2 VAL 32 -5.483 -11.536 2.529 254 2HG2 VAL 32 2HG2 VAL 32 -6.591 -10.245 2.040 255 3HG2 VAL 32 3HG2 VAL 32 -5.990 -11.414 0.844 256 H LYS 33 H LYS 33 -3.696 -12.833 2.519 257 HA LYS 33 HA LYS 33 -3.726 -14.377 -0.026 258 1HB LYS 33 1HB LYS 33 -2.040 -15.304 1.580 259 2HB LYS 33 2HB LYS 33 -3.262 -15.388 2.824 260 1HG LYS 33 1HG LYS 33 -3.013 -17.560 1.945 261 2HG LYS 33 2HG LYS 33 -4.571 -17.011 1.396 262 1HD LYS 33 1HD LYS 33 -2.258 -16.529 -0.475 263 2HD LYS 33 2HD LYS 33 -2.694 -18.216 -0.175 264 1HE LYS 33 1HE LYS 33 -5.013 -17.807 -0.851 265 2HE LYS 33 2HE LYS 33 -4.674 -16.089 -1.084 266 1HZ LYS 33 1HZ LYS 33 -3.198 -16.625 -2.861 267 2HZ LYS 33 2HZ LYS 33 -3.376 -18.237 -2.637 268 3HZ LYS 33 3HZ LYS 33 -4.652 -17.308 -3.155 269 H ASN 34 H ASN 34 -5.870 -14.141 -0.540 270 HA ASN 34 HA ASN 34 -8.057 -14.112 -0.512 271 1HB ASN 34 1HB ASN 34 -7.563 -16.490 0.110 272 2HB ASN 34 2HB ASN 34 -7.965 -16.085 1.778 273 1HD2 ASN 34 1HD2 ASN 34 -10.245 -16.057 2.332 274 2HD2 ASN 34 2HD2 ASN 34 -11.454 -16.299 1.093 275 H ASN 35 H ASN 35 -7.462 -14.148 3.065 276 HA ASN 35 HA ASN 35 -8.616 -11.460 3.231 277 1HB ASN 35 1HB ASN 35 -10.372 -13.555 3.697 278 2HB ASN 35 2HB ASN 35 -9.769 -13.235 5.319 279 1HD2 ASN 35 1HD2 ASN 35 -12.081 -12.301 2.976 280 2HD2 ASN 35 2HD2 ASN 35 -12.521 -10.767 3.658 281 H ALA 36 H ALA 36 -6.046 -13.195 3.825 282 HA ALA 36 HA ALA 36 -5.587 -12.275 6.581 283 1HB ALA 36 1HB ALA 36 -4.057 -14.077 6.747 284 2HB ALA 36 2HB ALA 36 -5.387 -14.734 5.794 285 3HB ALA 36 3HB ALA 36 -3.902 -14.244 4.970 286 H ILE 37 H ILE 37 -2.623 -12.478 6.360 287 HA ILE 37 HA ILE 37 -2.066 -9.894 4.960 288 HB ILE 37 HB ILE 37 -0.932 -11.335 7.358 289 1HG1 ILE 37 1HG1 ILE 37 -0.720 -9.000 8.217 290 2HG1 ILE 37 2HG1 ILE 37 -1.342 -8.387 6.686 291 1HG2 ILE 37 1HG2 ILE 37 0.819 -9.506 5.665 292 2HG2 ILE 37 2HG2 ILE 37 1.160 -9.988 7.339 293 3HG2 ILE 37 3HG2 ILE 37 1.128 -11.203 6.079 294 1HD1 ILE 37 1HD1 ILE 37 -3.525 -9.403 7.131 295 2HD1 ILE 37 2HD1 ILE 37 -2.867 -10.247 8.558 296 3HD1 ILE 37 3HD1 ILE 37 -3.021 -8.481 8.553 297 H ALA 38 H ALA 38 -1.278 -13.290 4.874 298 HA ALA 38 HA ALA 38 0.159 -14.537 3.703 299 1HB ALA 38 1HB ALA 38 0.299 -12.335 1.624 300 2HB ALA 38 2HB ALA 38 0.703 -14.053 1.426 301 3HB ALA 38 3HB ALA 38 -0.968 -13.526 1.703 302 H ASP 39 H ASP 39 1.499 -11.182 3.168 303 HA ASP 39 HA ASP 39 4.117 -11.942 4.248 304 1HB ASP 39 1HB ASP 39 3.461 -12.728 1.625 305 2HB ASP 39 2HB ASP 39 4.262 -11.203 1.368 306 H ILE 40 H ILE 40 5.680 -10.127 3.895 307 HA ILE 40 HA ILE 40 4.432 -7.525 3.193 308 HB ILE 40 HB ILE 40 6.198 -7.994 5.637 309 1HG1 ILE 40 1HG1 ILE 40 3.241 -7.421 5.268 310 2HG1 ILE 40 2HG1 ILE 40 3.992 -8.756 6.134 311 1HG2 ILE 40 1HG2 ILE 40 5.050 -5.418 4.462 312 2HG2 ILE 40 2HG2 ILE 40 5.791 -5.522 6.070 313 3HG2 ILE 40 3HG2 ILE 40 6.771 -5.834 4.672 314 1HD1 ILE 40 1HD1 ILE 40 4.843 -7.015 7.809 315 2HD1 ILE 40 2HD1 ILE 40 3.756 -5.865 7.011 316 3HD1 ILE 40 3HD1 ILE 40 3.086 -7.308 7.784 317 H SER 41 H SER 41 5.700 -6.035 2.143 318 HA SER 41 HA SER 41 8.562 -6.566 1.638 319 1HB SER 41 1HB SER 41 6.289 -5.597 -0.160 320 2HB SER 41 2HB SER 41 7.959 -5.347 -0.516 321 HG SER 41 HG SER 41 8.080 -7.397 -1.152 322 H VAL 42 H VAL 42 9.603 -4.863 2.684 323 HA VAL 42 HA VAL 42 8.220 -2.252 2.955 324 HB VAL 42 HB VAL 42 7.995 -3.310 5.013 325 1HG1 VAL 42 1HG1 VAL 42 10.932 -4.011 5.045 326 2HG1 VAL 42 2HG1 VAL 42 9.832 -4.168 6.425 327 3HG1 VAL 42 3HG1 VAL 42 9.566 -5.137 4.976 328 1HG2 VAL 42 1HG2 VAL 42 10.348 -1.382 5.247 329 2HG2 VAL 42 2HG2 VAL 42 8.640 -0.949 5.073 330 3HG2 VAL 42 3HG2 VAL 42 9.199 -1.837 6.521 331 H GLU 43 H GLU 43 9.209 -1.917 0.908 332 HA GLU 43 HA GLU 43 12.126 -2.117 0.684 333 1HB GLU 43 1HB GLU 43 10.195 -0.844 -1.271 334 2HB GLU 43 2HB GLU 43 11.805 -1.454 -1.623 335 1HG GLU 43 1HG GLU 43 9.412 -3.196 -0.821 336 2HG GLU 43 2HG GLU 43 9.805 -2.743 -2.458 337 H GLU 44 H GLU 44 13.497 -0.298 0.527 338 HA GLU 44 HA GLU 44 12.799 2.202 1.737 339 1HB GLU 44 1HB GLU 44 15.043 1.310 -0.109 340 2HB GLU 44 2HB GLU 44 15.028 2.883 0.682 341 1HG GLU 44 1HG GLU 44 15.394 2.036 2.768 342 2HG GLU 44 2HG GLU 44 14.762 0.428 2.424 343 H ASN 45 H ASN 45 12.400 4.207 0.720 344 HA ASN 45 HA ASN 45 11.023 3.933 -1.873 345 1HB ASN 45 1HB ASN 45 10.011 5.292 -0.089 346 2HB ASN 45 2HB ASN 45 11.372 6.395 -0.178 347 1HD2 ASN 45 1HD2 ASN 45 8.294 6.280 -0.997 348 2HD2 ASN 45 2HD2 ASN 45 8.278 7.091 -2.554 349 HA PRO 46 HA PRO 46 14.942 4.825 -3.762 350 1HB PRO 46 1HB PRO 46 14.184 5.103 -6.397 351 2HB PRO 46 2HB PRO 46 14.257 3.537 -5.539 352 1HG PRO 46 1HG PRO 46 11.810 5.272 -5.963 353 2HG PRO 46 2HG PRO 46 12.005 3.516 -6.284 354 1HD PRO 46 1HD PRO 46 10.901 4.398 -3.984 355 2HD PRO 46 2HD PRO 46 12.041 3.019 -3.955 356 H LEU 47 H LEU 47 12.192 7.079 -4.200 357 HA LEU 47 HA LEU 47 14.167 9.232 -4.929 358 1HB LEU 47 1HB LEU 47 11.480 9.171 -6.138 359 2HB LEU 47 2HB LEU 47 12.880 10.143 -6.532 360 HG LEU 47 HG LEU 47 12.292 7.229 -7.200 361 1HD1 LEU 47 1HD1 LEU 47 11.208 9.069 -8.435 362 2HD1 LEU 47 2HD1 LEU 47 12.818 9.770 -8.754 363 3HD1 LEU 47 3HD1 LEU 47 12.373 8.182 -9.462 364 1HD2 LEU 47 1HD2 LEU 47 14.350 7.240 -8.569 365 2HD2 LEU 47 2HD2 LEU 47 14.843 8.786 -7.815 366 3HD2 LEU 47 3HD2 LEU 47 14.729 7.310 -6.858 367 H ALA 48 H ALA 48 13.110 8.696 -2.260 368 HA ALA 48 HA ALA 48 10.643 9.981 -1.752 369 1HB ALA 48 1HB ALA 48 11.711 8.459 -0.143 370 2HB ALA 48 2HB ALA 48 12.976 9.646 0.176 371 3HB ALA 48 3HB ALA 48 11.293 9.996 0.615 372 H GLN 49 H GLN 49 13.963 11.251 -1.762 373 HA GLN 49 HA GLN 49 12.877 14.005 -1.875 374 1HB GLN 49 1HB GLN 49 13.531 13.409 0.477 375 2HB GLN 49 2HB GLN 49 15.155 13.072 -0.093 376 1HG GLN 49 1HG GLN 49 14.872 15.676 -0.949 377 2HG GLN 49 2HG GLN 49 13.831 15.684 0.464 378 1HE2 GLN 49 1HE2 GLN 49 17.101 15.839 -0.606 379 2HE2 GLN 49 2HE2 GLN 49 17.881 15.582 0.934 380 H ASP 50 H ASP 50 13.436 13.061 -4.236 381 HA ASP 50 HA ASP 50 16.239 13.881 -4.806 382 1HB ASP 50 1HB ASP 50 16.022 11.385 -4.449 383 2HB ASP 50 2HB ASP 50 15.009 11.334 -5.903 384 H HIS 51 H HIS 51 15.984 13.172 -7.688 385 HA HIS 51 HA HIS 51 14.999 15.587 -8.629 386 1HB HIS 51 1HB HIS 51 14.971 14.494 -10.923 387 2HB HIS 51 2HB HIS 51 16.461 14.504 -10.043 388 HD1 HIS 51 1HD HIS 51 14.156 12.052 -11.720 389 HD2 HIS 51 2HD HIS 51 17.438 12.140 -9.074 390 HE1 HIS 51 1HE HIS 51 15.027 9.639 -11.502 391 HE2 HIS 51 2HE HIS 51 17.001 9.726 -9.804 392 H VAL 52 H VAL 52 13.028 13.066 -7.638 393 HA VAL 52 HA VAL 52 10.796 12.541 -7.990 394 HB VAL 52 HB VAL 52 11.157 15.224 -6.658 395 1HG1 VAL 52 1HG1 VAL 52 8.644 13.499 -6.695 396 2HG1 VAL 52 2HG1 VAL 52 9.055 14.509 -5.298 397 3HG1 VAL 52 3HG1 VAL 52 8.772 15.260 -6.861 398 1HG2 VAL 52 1HG2 VAL 52 11.211 13.886 -4.646 399 2HG2 VAL 52 2HG2 VAL 52 10.621 12.455 -5.513 400 3HG2 VAL 52 3HG2 VAL 52 12.260 13.040 -5.782 401 H HIS 53 H HIS 53 11.287 12.958 -10.652 402 HA HIS 53 HA HIS 53 9.453 15.092 -11.591 403 1HB HIS 53 1HB HIS 53 11.848 14.418 -12.502 404 2HB HIS 53 2HB HIS 53 10.950 13.232 -13.419 405 HD1 HIS 53 1HD HIS 53 12.598 15.751 -14.639 406 HD2 HIS 53 2HD HIS 53 8.427 15.570 -13.963 407 HE1 HIS 53 1HE HIS 53 11.490 17.353 -16.333 408 HE2 HIS 53 2HE HIS 53 9.013 17.307 -15.882 409 H GLY 54 H GLY 54 8.158 13.183 -10.088 410 1HA GLY 54 1HA GLY 54 6.199 11.978 -10.183 411 2HA GLY 54 2HA GLY 54 6.193 12.198 -11.935 412 H ALA 55 H ALA 55 8.824 10.539 -10.122 413 HA ALA 55 HA ALA 55 8.102 8.083 -11.676 414 1HB ALA 55 1HB ALA 55 10.843 9.073 -10.922 415 2HB ALA 55 2HB ALA 55 10.466 7.573 -11.787 416 3HB ALA 55 3HB ALA 55 10.088 9.129 -12.537 417 H VAL 56 H VAL 56 8.527 9.191 -8.383 418 HA VAL 56 HA VAL 56 9.127 6.787 -7.072 419 HB VAL 56 HB VAL 56 7.341 9.137 -6.425 420 1HG1 VAL 56 1HG1 VAL 56 7.139 6.657 -4.749 421 2HG1 VAL 56 2HG1 VAL 56 6.606 8.274 -4.251 422 3HG1 VAL 56 3HG1 VAL 56 5.815 7.476 -5.600 423 1HG2 VAL 56 1HG2 VAL 56 9.736 7.847 -5.131 424 2HG2 VAL 56 2HG2 VAL 56 9.496 9.520 -5.714 425 3HG2 VAL 56 3HG2 VAL 56 8.736 8.993 -4.233 426 HA PRO 57 HA PRO 57 4.531 5.384 -7.608 427 1HB PRO 57 1HB PRO 57 3.344 6.676 -9.913 428 2HB PRO 57 2HB PRO 57 2.840 6.701 -8.193 429 1HG PRO 57 1HG PRO 57 3.826 8.878 -9.658 430 2HG PRO 57 2HG PRO 57 3.667 8.770 -7.877 431 1HD PRO 57 1HD PRO 57 6.054 8.401 -9.604 432 2HD PRO 57 2HD PRO 57 5.938 8.970 -7.920 433 H ASN 58 H ASN 58 6.394 6.304 -10.494 434 HA ASN 58 HA ASN 58 5.319 4.178 -12.129 435 1HB ASN 58 1HB ASN 58 6.404 6.334 -12.969 436 2HB ASN 58 2HB ASN 58 7.969 5.579 -12.584 437 1HD2 ASN 58 1HD2 ASN 58 8.839 4.370 -14.298 438 2HD2 ASN 58 2HD2 ASN 58 7.903 3.609 -15.545 439 H PHE 59 H PHE 59 7.795 4.367 -9.660 440 HA PHE 59 HA PHE 59 8.930 1.736 -10.172 441 1HB PHE 59 1HB PHE 59 10.386 2.896 -8.862 442 2HB PHE 59 2HB PHE 59 9.145 3.790 -8.010 443 HD1 PHE 59 1HD PHE 59 10.311 0.205 -8.375 444 HD2 PHE 59 2HD PHE 59 8.736 3.255 -5.755 445 HE1 PHE 59 1HE PHE 59 10.459 -1.352 -6.468 446 HE2 PHE 59 2HE PHE 59 8.871 1.641 -3.853 447 HZ PHE 59 HZ PHE 59 9.670 -0.637 -4.196 448 H VAL 60 H VAL 60 6.558 2.916 -7.605 449 HA VAL 60 HA VAL 60 6.071 0.246 -6.850 450 HB VAL 60 HB VAL 60 3.880 1.260 -5.853 451 1HG1 VAL 60 1HG1 VAL 60 6.095 0.791 -4.616 452 2HG1 VAL 60 2HG1 VAL 60 6.533 2.468 -4.956 453 3HG1 VAL 60 3HG1 VAL 60 5.116 2.104 -3.953 454 1HG2 VAL 60 1HG2 VAL 60 3.807 3.273 -7.249 455 2HG2 VAL 60 2HG2 VAL 60 3.726 3.528 -5.503 456 3HG2 VAL 60 3HG2 VAL 60 5.253 3.866 -6.352 457 H LYS 61 H LYS 61 4.387 1.941 -9.434 458 HA LYS 61 HA LYS 61 2.403 -0.026 -9.959 459 1HB LYS 61 1HB LYS 61 3.889 1.964 -11.623 460 2HB LYS 61 2HB LYS 61 3.100 0.629 -12.463 461 1HG LYS 61 1HG LYS 61 0.946 1.199 -11.387 462 2HG LYS 61 2HG LYS 61 1.603 2.673 -10.765 463 1HD LYS 61 1HD LYS 61 1.168 1.828 -13.645 464 2HD LYS 61 2HD LYS 61 0.596 3.228 -12.759 465 1HE LYS 61 1HE LYS 61 2.155 4.270 -14.048 466 2HE LYS 61 2HE LYS 61 3.129 3.886 -12.616 467 1HZ LYS 61 1HZ LYS 61 3.972 1.920 -13.865 468 2HZ LYS 61 2HZ LYS 61 3.073 2.331 -15.154 469 3HZ LYS 61 3HZ LYS 61 4.277 3.306 -14.665 470 H GLU 62 H GLU 62 5.914 -0.330 -10.417 471 HA GLU 62 HA GLU 62 5.605 -2.680 -12.116 472 1HB GLU 62 1HB GLU 62 7.861 -2.801 -12.260 473 2HB GLU 62 2HB GLU 62 7.627 -1.075 -12.066 474 1HG GLU 62 1HG GLU 62 9.233 -1.170 -10.510 475 2HG GLU 62 2HG GLU 62 8.055 -1.904 -9.430 476 H LYS 63 H LYS 63 5.346 -1.959 -8.722 477 HA LYS 63 HA LYS 63 6.153 -4.667 -7.910 478 1HB LYS 63 1HB LYS 63 5.022 -2.372 -6.268 479 2HB LYS 63 2HB LYS 63 5.689 -3.848 -5.619 480 1HG LYS 63 1HG LYS 63 7.265 -1.815 -7.256 481 2HG LYS 63 2HG LYS 63 7.233 -1.867 -5.515 482 1HD LYS 63 1HD LYS 63 8.044 -4.426 -6.910 483 2HD LYS 63 2HD LYS 63 9.142 -3.045 -7.008 484 1HE LYS 63 1HE LYS 63 9.312 -2.855 -4.626 485 2HE LYS 63 2HE LYS 63 7.948 -3.944 -4.382 486 1HZ LYS 63 1HZ LYS 63 9.322 -5.788 -5.111 487 2HZ LYS 63 2HZ LYS 63 10.571 -4.799 -5.464 488 3HZ LYS 63 3HZ LYS 63 10.088 -5.000 -3.909 489 H GLY 64 H GLY 64 4.100 -4.601 -9.730 490 1HA GLY 64 1HA GLY 64 1.875 -5.105 -10.216 491 2HA GLY 64 2HA GLY 64 2.455 -6.538 -9.372 492 H ALA 65 H ALA 65 1.531 -3.324 -7.971 493 HA ALA 65 HA ALA 65 0.082 -4.808 -5.955 494 1HB ALA 65 1HB ALA 65 0.037 -2.588 -4.846 495 2HB ALA 65 2HB ALA 65 1.677 -3.097 -5.333 496 3HB ALA 65 3HB ALA 65 0.820 -1.864 -6.268 497 H GLU 66 H GLU 66 -1.988 -3.507 -4.975 498 HA GLU 66 HA GLU 66 -3.921 -3.246 -7.209 499 1HB GLU 66 1HB GLU 66 -3.718 -5.403 -5.146 500 2HB GLU 66 2HB GLU 66 -5.298 -4.883 -5.751 501 1HG GLU 66 1HG GLU 66 -4.805 -5.427 -7.994 502 2HG GLU 66 2HG GLU 66 -3.076 -5.656 -7.652 503 H LEU 67 H LEU 67 -3.048 -2.695 -3.762 504 HA LEU 67 HA LEU 67 -5.178 -0.725 -3.702 505 1HB LEU 67 1HB LEU 67 -5.999 -2.867 -2.698 506 2HB LEU 67 2HB LEU 67 -4.633 -2.880 -1.584 507 HG LEU 67 HG LEU 67 -5.545 -0.788 -0.555 508 1HD1 LEU 67 1HD1 LEU 67 -7.915 -1.465 -2.373 509 2HD1 LEU 67 2HD1 LEU 67 -7.994 -0.298 -1.045 510 3HD1 LEU 67 3HD1 LEU 67 -6.951 0.028 -2.432 511 1HD2 LEU 67 1HD2 LEU 67 -7.648 -2.949 -0.552 512 2HD2 LEU 67 2HD2 LEU 67 -6.108 -3.124 0.280 513 3HD2 LEU 67 3HD2 LEU 67 -7.207 -1.815 0.739 514 H VAL 68 H VAL 68 -4.783 1.033 -2.112 515 HA VAL 68 HA VAL 68 -2.039 1.181 -0.949 516 HB VAL 68 HB VAL 68 -3.178 3.385 -2.684 517 1HG1 VAL 68 1HG1 VAL 68 -0.255 2.902 -2.480 518 2HG1 VAL 68 2HG1 VAL 68 -1.184 4.408 -2.387 519 3HG1 VAL 68 3HG1 VAL 68 -1.049 3.380 -0.961 520 1HG2 VAL 68 1HG2 VAL 68 -3.080 1.517 -4.212 521 2HG2 VAL 68 2HG2 VAL 68 -1.854 2.687 -4.567 522 3HG2 VAL 68 3HG2 VAL 68 -1.389 1.182 -3.753 523 H ILE 69 H ILE 69 -2.484 1.693 1.252 524 HA ILE 69 HA ILE 69 -4.968 3.245 1.848 525 HB ILE 69 HB ILE 69 -3.170 1.552 3.629 526 1HG1 ILE 69 1HG1 ILE 69 -6.033 1.040 2.690 527 2HG1 ILE 69 2HG1 ILE 69 -4.608 0.294 1.968 528 1HG2 ILE 69 1HG2 ILE 69 -5.177 1.846 5.249 529 2HG2 ILE 69 2HG2 ILE 69 -4.100 3.214 5.098 530 3HG2 ILE 69 3HG2 ILE 69 -5.676 3.157 4.238 531 1HD1 ILE 69 1HD1 ILE 69 -4.047 -0.666 4.263 532 2HD1 ILE 69 2HD1 ILE 69 -5.678 -0.180 4.768 533 3HD1 ILE 69 3HD1 ILE 69 -5.481 -1.324 3.442 534 H VAL 70 H VAL 70 -4.445 5.508 1.581 535 HA VAL 70 HA VAL 70 -1.844 6.363 2.785 536 HB VAL 70 HB VAL 70 -1.694 7.963 0.954 537 1HG1 VAL 70 1HG1 VAL 70 -1.058 6.415 -0.784 538 2HG1 VAL 70 2HG1 VAL 70 -0.720 5.640 0.773 539 3HG1 VAL 70 3HG1 VAL 70 -2.160 5.180 -0.150 540 1HG2 VAL 70 1HG2 VAL 70 -4.245 6.630 -0.077 541 2HG2 VAL 70 2HG2 VAL 70 -4.034 8.327 0.418 542 3HG2 VAL 70 3HG2 VAL 70 -3.216 7.683 -1.020 543 H ARG 71 H ARG 71 -1.800 8.791 3.310 544 HA ARG 71 HA ARG 71 -4.478 9.663 4.363 545 1HB ARG 71 1HB ARG 71 -1.681 10.318 5.332 546 2HB ARG 71 2HB ARG 71 -3.171 10.986 5.973 547 1HG ARG 71 1HG ARG 71 -3.855 8.607 6.535 548 2HG ARG 71 2HG ARG 71 -2.242 8.101 6.049 549 1HD ARG 71 1HD ARG 71 -2.153 8.292 8.375 550 2HD ARG 71 2HD ARG 71 -1.264 9.691 7.769 551 HE ARG 71 HE ARG 71 -4.144 9.814 8.470 552 1HH1 ARG 71 2HH2 ARG 71 -0.906 10.682 9.616 553 2HH1 ARG 71 1HH2 ARG 71 -1.479 11.853 10.754 554 1HH2 ARG 71 2HH1 ARG 71 -4.910 11.307 9.859 555 2HH2 ARG 71 1HH1 ARG 71 -3.878 12.273 10.866 556 H GLY 72 H GLY 72 -1.809 11.841 4.098 557 1HA GLY 72 1HA GLY 72 -3.317 13.607 2.320 558 2HA GLY 72 2HA GLY 72 -1.804 13.976 3.166 559 H ILE 73 H ILE 73 -2.757 11.499 0.807 560 HA ILE 73 HA ILE 73 -0.488 11.720 -0.897 561 HB ILE 73 HB ILE 73 -1.925 9.765 -0.750 562 1HG1 ILE 73 1HG1 ILE 73 -2.179 10.577 -3.647 563 2HG1 ILE 73 2HG1 ILE 73 -0.586 10.374 -2.910 564 1HG2 ILE 73 1HG2 ILE 73 -4.136 9.609 -1.773 565 2HG2 ILE 73 2HG2 ILE 73 -4.151 10.943 -0.615 566 3HG2 ILE 73 3HG2 ILE 73 -4.021 11.261 -2.361 567 1HD1 ILE 73 1HD1 ILE 73 -2.764 8.254 -3.080 568 2HD1 ILE 73 2HD1 ILE 73 -1.329 8.350 -4.084 569 3HD1 ILE 73 3HD1 ILE 73 -1.148 8.038 -2.350 570 H GLY 74 H GLY 74 -1.495 12.215 -3.589 571 1HA GLY 74 1HA GLY 74 -3.040 14.627 -3.669 572 2HA GLY 74 2HA GLY 74 -1.336 14.882 -4.127 573 H ARG 75 H ARG 75 -3.407 15.205 -6.031 574 HA ARG 75 HA ARG 75 -4.388 13.009 -7.277 575 1HB ARG 75 1HB ARG 75 -5.052 15.379 -7.748 576 2HB ARG 75 2HB ARG 75 -3.571 15.571 -8.709 577 1HG ARG 75 1HG ARG 75 -5.272 15.118 -10.279 578 2HG ARG 75 2HG ARG 75 -4.404 13.614 -10.164 579 1HD ARG 75 1HD ARG 75 -6.438 12.644 -9.843 580 2HD ARG 75 2HD ARG 75 -6.350 13.248 -8.196 581 HE ARG 75 HE ARG 75 -8.014 14.785 -8.693 582 1HH1 ARG 75 2HH2 ARG 75 -7.073 13.182 -11.688 583 2HH1 ARG 75 1HH2 ARG 75 -7.878 14.299 -12.716 584 1HH2 ARG 75 2HH1 ARG 75 -9.094 16.251 -9.954 585 2HH2 ARG 75 1HH1 ARG 75 -9.400 15.961 -11.601 586 H ARG 76 H ARG 76 -1.278 14.531 -8.296 587 HA ARG 76 HA ARG 76 -0.640 12.904 -10.420 588 1HB ARG 76 1HB ARG 76 1.688 13.402 -9.984 589 2HB ARG 76 2HB ARG 76 0.666 14.794 -9.678 590 1HG ARG 76 1HG ARG 76 0.650 13.930 -7.170 591 2HG ARG 76 2HG ARG 76 2.037 12.959 -7.658 592 1HD ARG 76 1HD ARG 76 3.249 14.991 -8.294 593 2HD ARG 76 2HD ARG 76 1.780 15.961 -8.171 594 HE ARG 76 HE ARG 76 3.562 15.194 -6.004 595 1HH1 ARG 76 2HH2 ARG 76 0.219 16.316 -6.701 596 2HH1 ARG 76 1HH2 ARG 76 -0.001 16.874 -5.084 597 1HH2 ARG 76 2HH1 ARG 76 3.119 15.744 -3.892 598 2HH2 ARG 76 1HH1 ARG 76 1.505 16.176 -3.380 599 H ALA 77 H ALA 77 -0.862 11.757 -7.134 600 HA ALA 77 HA ALA 77 0.721 9.322 -7.747 601 1HB ALA 77 1HB ALA 77 -0.412 10.492 -5.195 602 2HB ALA 77 2HB ALA 77 0.439 8.935 -5.304 603 3HB ALA 77 3HB ALA 77 1.293 10.446 -5.684 604 H ILE 78 H ILE 78 -2.587 10.438 -6.820 605 HA ILE 78 HA ILE 78 -3.957 7.973 -6.915 606 HB ILE 78 HB ILE 78 -4.883 10.672 -7.927 607 1HG1 ILE 78 1HG1 ILE 78 -4.229 10.865 -5.588 608 2HG1 ILE 78 2HG1 ILE 78 -5.962 10.942 -5.777 609 1HG2 ILE 78 1HG2 ILE 78 -7.173 9.759 -7.452 610 2HG2 ILE 78 2HG2 ILE 78 -6.345 9.010 -8.810 611 3HG2 ILE 78 3HG2 ILE 78 -6.439 8.152 -7.262 612 1HD1 ILE 78 1HD1 ILE 78 -4.450 8.506 -4.781 613 2HD1 ILE 78 2HD1 ILE 78 -5.369 9.656 -3.789 614 3HD1 ILE 78 3HD1 ILE 78 -6.219 8.644 -4.942 615 H ALA 79 H ALA 79 -3.008 10.220 -9.565 616 HA ALA 79 HA ALA 79 -3.957 8.878 -11.766 617 1HB ALA 79 1HB ALA 79 -2.368 10.204 -13.009 618 2HB ALA 79 2HB ALA 79 -2.921 11.166 -11.620 619 3HB ALA 79 3HB ALA 79 -1.323 10.399 -11.591 620 H ALA 80 H ALA 80 -1.353 7.697 -9.756 621 HA ALA 80 HA ALA 80 0.028 6.210 -11.923 622 1HB ALA 80 1HB ALA 80 1.447 5.373 -10.231 623 2HB ALA 80 2HB ALA 80 1.121 7.037 -9.635 624 3HB ALA 80 3HB ALA 80 0.301 5.662 -8.931 625 H PHE 81 H PHE 81 -1.825 5.478 -8.922 626 HA PHE 81 HA PHE 81 -2.238 2.840 -9.446 627 1HB PHE 81 1HB PHE 81 -3.903 4.845 -7.864 628 2HB PHE 81 2HB PHE 81 -3.771 3.125 -7.568 629 HD1 PHE 81 1HD PHE 81 -0.800 2.641 -7.776 630 HD2 PHE 81 2HD PHE 81 -3.082 5.759 -5.833 631 HE1 PHE 81 1HE PHE 81 1.002 2.926 -6.154 632 HE2 PHE 81 2HE PHE 81 -1.255 6.015 -4.166 633 HZ PHE 81 HZ PHE 81 0.767 4.580 -4.304 634 H GLU 82 H GLU 82 -4.212 5.712 -10.336 635 HA GLU 82 HA GLU 82 -6.321 4.309 -11.636 636 1HB GLU 82 1HB GLU 82 -5.091 7.059 -12.019 637 2HB GLU 82 2HB GLU 82 -6.478 6.499 -12.946 638 1HG GLU 82 1HG GLU 82 -7.618 5.967 -10.717 639 2HG GLU 82 2HG GLU 82 -6.321 6.836 -9.916 640 H ALA 83 H ALA 83 -2.931 4.399 -12.687 641 HA ALA 83 HA ALA 83 -3.610 4.074 -15.493 642 1HB ALA 83 1HB ALA 83 -1.166 3.001 -14.062 643 2HB ALA 83 2HB ALA 83 -1.339 3.344 -15.778 644 3HB ALA 83 3HB ALA 83 -1.281 4.691 -14.611 645 H MET 84 H MET 84 -3.615 2.080 -12.648 646 HA MET 84 HA MET 84 -4.400 -0.296 -14.274 647 1HB MET 84 1HB MET 84 -3.225 -1.527 -12.222 648 2HB MET 84 2HB MET 84 -2.398 -1.042 -13.701 649 1HG MET 84 1HG MET 84 -1.479 0.933 -12.492 650 2HG MET 84 2HG MET 84 -2.384 0.478 -11.080 651 1HE MET 84 1HE MET 84 0.461 -0.642 -13.579 652 2HE MET 84 2HE MET 84 1.122 -2.091 -12.785 653 3HE MET 84 3HE MET 84 -0.476 -2.161 -13.546 654 H GLY 85 H GLY 85 -6.062 1.796 -12.750 655 1HA GLY 85 1HA GLY 85 -7.946 1.760 -11.385 656 2HA GLY 85 2HA GLY 85 -8.069 0.060 -11.872 657 H VAL 86 H VAL 86 -5.296 1.243 -10.134 658 HA VAL 86 HA VAL 86 -5.621 -0.744 -8.081 659 HB VAL 86 HB VAL 86 -3.443 1.219 -8.973 660 1HG1 VAL 86 1HG1 VAL 86 -3.253 -0.434 -6.383 661 2HG1 VAL 86 2HG1 VAL 86 -1.927 0.442 -7.142 662 3HG1 VAL 86 3HG1 VAL 86 -3.291 1.322 -6.439 663 1HG2 VAL 86 1HG2 VAL 86 -2.232 -0.853 -9.165 664 2HG2 VAL 86 2HG2 VAL 86 -3.589 -1.736 -8.443 665 3HG2 VAL 86 3HG2 VAL 86 -3.787 -0.978 -10.011 666 H LYS 87 H LYS 87 -6.804 -0.482 -6.411 667 HA LYS 87 HA LYS 87 -8.266 1.954 -6.031 668 1HB LYS 87 1HB LYS 87 -9.239 -0.218 -5.688 669 2HB LYS 87 2HB LYS 87 -8.107 -0.619 -4.412 670 1HG LYS 87 1HG LYS 87 -9.151 0.938 -2.888 671 2HG LYS 87 2HG LYS 87 -9.898 1.814 -4.216 672 1HD LYS 87 1HD LYS 87 -11.521 0.520 -2.912 673 2HD LYS 87 2HD LYS 87 -11.490 0.140 -4.642 674 1HE LYS 87 1HE LYS 87 -10.304 -1.936 -4.255 675 2HE LYS 87 2HE LYS 87 -10.094 -1.558 -2.532 676 1HZ LYS 87 1HZ LYS 87 -11.958 -3.081 -3.035 677 2HZ LYS 87 2HZ LYS 87 -12.399 -1.724 -2.197 678 3HZ LYS 87 3HZ LYS 87 -12.758 -1.797 -3.769 679 H VAL 88 H VAL 88 -8.243 3.459 -4.288 680 HA VAL 88 HA VAL 88 -5.943 3.325 -2.468 681 HB VAL 88 HB VAL 88 -5.051 4.288 -4.402 682 1HG1 VAL 88 1HG1 VAL 88 -5.792 6.297 -5.540 683 2HG1 VAL 88 2HG1 VAL 88 -7.005 5.034 -5.650 684 3HG1 VAL 88 3HG1 VAL 88 -7.245 6.367 -4.512 685 1HG2 VAL 88 1HG2 VAL 88 -4.401 5.299 -2.238 686 2HG2 VAL 88 2HG2 VAL 88 -4.215 6.392 -3.611 687 3HG2 VAL 88 3HG2 VAL 88 -5.595 6.588 -2.499 688 H ILE 89 H ILE 89 -7.160 3.099 -0.729 689 HA ILE 89 HA ILE 89 -9.355 4.831 0.071 690 HB ILE 89 HB ILE 89 -7.529 2.827 1.449 691 1HG1 ILE 89 1HG1 ILE 89 -10.503 2.665 0.981 692 2HG1 ILE 89 2HG1 ILE 89 -9.372 2.098 -0.258 693 1HG2 ILE 89 1HG2 ILE 89 -9.011 4.777 2.868 694 2HG2 ILE 89 2HG2 ILE 89 -9.831 3.254 3.080 695 3HG2 ILE 89 3HG2 ILE 89 -8.106 3.375 3.462 696 1HD1 ILE 89 1HD1 ILE 89 -9.674 0.998 2.547 697 2HD1 ILE 89 2HD1 ILE 89 -10.134 0.233 1.016 698 3HD1 ILE 89 3HD1 ILE 89 -8.418 0.490 1.390 699 H LYS 90 H LYS 90 -9.123 6.719 1.182 700 HA LYS 90 HA LYS 90 -6.388 7.521 2.072 701 1HB LYS 90 1HB LYS 90 -8.659 9.158 1.094 702 2HB LYS 90 2HB LYS 90 -7.316 9.897 1.950 703 1HG LYS 90 1HG LYS 90 -6.225 10.188 0.063 704 2HG LYS 90 2HG LYS 90 -6.187 8.449 -0.236 705 1HD LYS 90 1HD LYS 90 -8.524 10.251 -1.065 706 2HD LYS 90 2HD LYS 90 -7.155 9.842 -2.119 707 1HE LYS 90 1HE LYS 90 -7.593 7.433 -1.716 708 2HE LYS 90 2HE LYS 90 -9.007 7.857 -0.755 709 1HZ LYS 90 1HZ LYS 90 -8.748 8.353 -3.668 710 2HZ LYS 90 2HZ LYS 90 -9.576 7.175 -2.939 711 3HZ LYS 90 3HZ LYS 90 -10.042 8.739 -2.720 712 H GLY 91 H GLY 91 -6.594 9.188 3.979 713 1HA GLY 91 1HA GLY 91 -7.829 10.089 5.762 714 2HA GLY 91 2HA GLY 91 -9.083 8.901 5.511 715 H ALA 92 H ALA 92 -6.213 7.101 5.645 716 HA ALA 92 HA ALA 92 -7.154 5.954 8.108 717 1HB ALA 92 1HB ALA 92 -5.756 4.884 6.098 718 2HB ALA 92 2HB ALA 92 -4.381 5.347 7.106 719 3HB ALA 92 3HB ALA 92 -5.613 4.257 7.745 720 H SER 93 H SER 93 -5.145 5.233 9.724 721 HA SER 93 HA SER 93 -3.015 6.906 10.142 722 1HB SER 93 1HB SER 93 -3.760 7.642 12.545 723 2HB SER 93 2HB SER 93 -4.121 8.632 11.148 724 HG SER 93 HG SER 93 -5.976 6.853 12.375 725 H GLY 94 H GLY 94 -1.622 5.822 11.758 726 1HA GLY 94 1HA GLY 94 -1.794 4.340 13.765 727 2HA GLY 94 2HA GLY 94 -2.657 3.184 12.735 728 H THR 95 H THR 95 -0.749 1.744 13.493 729 HA THR 95 HA THR 95 1.656 2.152 11.853 730 HB THR 95 HB THR 95 2.202 -0.146 12.889 731 HG1 THR 95 1HG THR 95 0.921 -0.347 14.943 732 1HG2 THR 95 1HG2 THR 95 1.717 2.013 14.972 733 2HG2 THR 95 2HG2 THR 95 3.019 0.795 14.867 734 3HG2 THR 95 3HG2 THR 95 2.988 2.144 13.732 735 H VAL 96 H VAL 96 2.325 0.213 10.513 736 HA VAL 96 HA VAL 96 0.453 -0.298 8.491 737 HB VAL 96 HB VAL 96 3.106 -1.466 9.315 738 1HG1 VAL 96 1HG1 VAL 96 3.144 -2.939 7.291 739 2HG1 VAL 96 2HG1 VAL 96 2.103 -3.541 8.586 740 3HG1 VAL 96 3HG1 VAL 96 1.377 -2.730 7.184 741 1HG2 VAL 96 1HG2 VAL 96 3.778 -0.577 7.209 742 2HG2 VAL 96 2HG2 VAL 96 2.099 -0.411 6.671 743 3HG2 VAL 96 3HG2 VAL 96 2.713 0.641 7.964 744 H GLU 97 H GLU 97 1.495 -2.425 11.165 745 HA GLU 97 HA GLU 97 -0.152 -4.590 10.472 746 1HB GLU 97 1HB GLU 97 0.111 -5.393 12.734 747 2HB GLU 97 2HB GLU 97 1.646 -4.855 12.052 748 1HG GLU 97 1HG GLU 97 1.787 -3.020 13.436 749 2HG GLU 97 2HG GLU 97 0.057 -2.896 13.727 750 H GLU 98 H GLU 98 -1.141 -1.612 11.734 751 HA GLU 98 HA GLU 98 -3.640 -2.660 12.929 752 1HB GLU 98 1HB GLU 98 -2.152 -1.195 14.257 753 2HB GLU 98 2HB GLU 98 -2.395 0.121 13.099 754 1HG GLU 98 1HG GLU 98 -4.697 0.330 13.656 755 2HG GLU 98 2HG GLU 98 -4.761 -1.267 14.403 756 H VAL 99 H VAL 99 -2.483 -0.116 10.584 757 HA VAL 99 HA VAL 99 -4.976 0.622 9.558 758 HB VAL 99 HB VAL 99 -2.107 0.617 8.536 759 1HG1 VAL 99 1HG1 VAL 99 -2.790 2.118 6.728 760 2HG1 VAL 99 2HG1 VAL 99 -3.467 0.504 6.508 761 3HG1 VAL 99 3HG1 VAL 99 -4.492 1.809 7.176 762 1HG2 VAL 99 1HG2 VAL 99 -2.921 2.225 10.383 763 2HG2 VAL 99 2HG2 VAL 99 -2.316 3.023 8.927 764 3HG2 VAL 99 3HG2 VAL 99 -4.055 2.887 9.170 765 H VAL 100 H VAL 100 -2.867 -2.096 8.656 766 HA VAL 100 HA VAL 100 -4.332 -3.045 6.373 767 HB VAL 100 HB VAL 100 -2.573 -4.390 8.492 768 1HG1 VAL 100 1HG1 VAL 100 -3.575 -5.703 5.925 769 2HG1 VAL 100 2HG1 VAL 100 -2.400 -6.361 7.076 770 3HG1 VAL 100 3HG1 VAL 100 -4.076 -6.153 7.576 771 1HG2 VAL 100 1HG2 VAL 100 -2.059 -3.834 5.528 772 2HG2 VAL 100 2HG2 VAL 100 -1.503 -2.806 6.857 773 3HG2 VAL 100 3HG2 VAL 100 -0.907 -4.456 6.737 774 H ASN 101 H ASN 101 -4.604 -3.941 9.895 775 HA ASN 101 HA ASN 101 -6.905 -5.587 9.383 776 1HB ASN 101 1HB ASN 101 -5.704 -5.969 11.436 777 2HB ASN 101 2HB ASN 101 -5.819 -4.265 11.922 778 1HD2 ASN 101 1HD2 ASN 101 -7.400 -3.876 13.481 779 2HD2 ASN 101 2HD2 ASN 101 -8.906 -4.783 13.564 780 H GLN 102 H GLN 102 -6.637 -2.089 10.319 781 HA GLN 102 HA GLN 102 -9.386 -1.686 10.801 782 1HB GLN 102 1HB GLN 102 -7.555 0.416 9.522 783 2HB GLN 102 2HB GLN 102 -9.115 0.652 10.291 784 1HG GLN 102 1HG GLN 102 -7.872 -0.492 12.387 785 2HG GLN 102 2HG GLN 102 -6.450 0.119 11.544 786 1HE2 GLN 102 1HE2 GLN 102 -5.877 1.703 13.095 787 2HE2 GLN 102 2HE2 GLN 102 -6.935 3.022 13.543 788 H TYR 103 H TYR 103 -7.686 -1.860 7.667 789 HA TYR 103 HA TYR 103 -10.171 -1.244 6.220 790 1HB TYR 103 1HB TYR 103 -8.245 -0.548 5.153 791 2HB TYR 103 2HB TYR 103 -7.381 -2.037 5.401 792 HD1 TYR 103 1HD TYR 103 -10.599 -0.872 3.782 793 HD2 TYR 103 2HD TYR 103 -7.201 -3.525 3.603 794 HE1 TYR 103 1HE TYR 103 -11.485 -1.849 1.689 795 HE2 TYR 103 2HE TYR 103 -8.063 -4.505 1.510 796 HH TYR 103 HH TYR 103 -10.016 -4.740 0.261 797 H LEU 104 H LEU 104 -8.233 -4.232 6.746 798 HA LEU 104 HA LEU 104 -9.907 -5.826 5.239 799 1HB LEU 104 1HB LEU 104 -7.985 -6.345 7.537 800 2HB LEU 104 2HB LEU 104 -9.020 -7.641 6.960 801 HG LEU 104 HG LEU 104 -8.222 -7.175 4.635 802 1HD1 LEU 104 1HD1 LEU 104 -7.131 -4.960 5.067 803 2HD1 LEU 104 2HD1 LEU 104 -5.835 -5.832 5.880 804 3HD1 LEU 104 3HD1 LEU 104 -6.157 -6.121 4.158 805 1HD2 LEU 104 1HD2 LEU 104 -6.036 -8.416 5.005 806 2HD2 LEU 104 2HD2 LEU 104 -6.242 -8.109 6.750 807 3HD2 LEU 104 3HD2 LEU 104 -7.424 -9.105 5.823 808 H SER 105 H SER 105 -10.386 -4.533 8.436 809 HA SER 105 HA SER 105 -12.587 -6.372 9.111 810 1HB SER 105 1HB SER 105 -11.037 -4.435 10.609 811 2HB SER 105 2HB SER 105 -12.756 -4.111 10.819 812 HG SER 105 HG SER 105 -13.067 -6.151 11.578 813 H GLY 106 H GLY 106 -12.266 -3.360 7.429 814 1HA GLY 106 1HA GLY 106 -14.009 -2.750 5.944 815 2HA GLY 106 2HA GLY 106 -15.222 -3.191 7.142 816 H GLN 107 H GLN 107 -12.671 -1.467 8.664 817 HA GLN 107 HA GLN 107 -14.518 0.667 9.317 818 1HB GLN 107 1HB GLN 107 -11.526 0.684 9.841 819 2HB GLN 107 2HB GLN 107 -12.785 1.521 10.716 820 1HG GLN 107 1HG GLN 107 -12.785 -1.511 10.744 821 2HG GLN 107 2HG GLN 107 -11.583 -0.645 11.638 822 1HE2 GLN 107 1HE2 GLN 107 -12.103 -0.076 13.699 823 2HE2 GLN 107 2HE2 GLN 107 -13.723 0.031 14.353 824 H LEU 108 H LEU 108 -11.588 0.377 7.339 825 HA LEU 108 HA LEU 108 -11.264 3.164 6.902 826 1HB LEU 108 1HB LEU 108 -9.990 0.699 6.018 827 2HB LEU 108 2HB LEU 108 -10.120 1.717 4.659 828 HG LEU 108 HG LEU 108 -8.045 2.278 5.383 829 1HD1 LEU 108 1HD1 LEU 108 -9.467 4.422 5.608 830 2HD1 LEU 108 2HD1 LEU 108 -9.388 4.108 7.376 831 3HD1 LEU 108 3HD1 LEU 108 -7.919 4.362 6.463 832 1HD2 LEU 108 1HD2 LEU 108 -8.952 1.868 8.234 833 2HD2 LEU 108 2HD2 LEU 108 -7.919 0.794 7.245 834 3HD2 LEU 108 3HD2 LEU 108 -7.315 2.368 7.754 835 H LYS 109 H LYS 109 -11.637 4.498 5.053 836 HA LYS 109 HA LYS 109 -14.098 3.698 3.595 837 1HB LYS 109 1HB LYS 109 -13.636 5.888 5.323 838 2HB LYS 109 2HB LYS 109 -13.448 6.602 3.727 839 1HG LYS 109 1HG LYS 109 -15.748 6.858 4.181 840 2HG LYS 109 2HG LYS 109 -15.689 5.427 3.133 841 1HD LYS 109 1HD LYS 109 -15.461 4.156 5.462 842 2HD LYS 109 2HD LYS 109 -16.156 5.618 6.132 843 1HE LYS 109 1HE LYS 109 -18.185 5.356 4.828 844 2HE LYS 109 2HE LYS 109 -17.439 4.079 3.843 845 1HZ LYS 109 1HZ LYS 109 -18.037 3.822 6.733 846 2HZ LYS 109 2HZ LYS 109 -18.829 3.072 5.495 847 3HZ LYS 109 3HZ LYS 109 -17.265 2.720 5.822 848 H ASP 110 H ASP 110 -14.343 4.256 1.440 849 HA ASP 110 HA ASP 110 -11.804 4.647 -0.083 850 1HB ASP 110 1HB ASP 110 -12.802 2.925 -1.647 851 2HB ASP 110 2HB ASP 110 -12.195 2.357 -0.126 852 H SER 111 H SER 111 -12.847 6.903 0.194 853 HA SER 111 HA SER 111 -15.270 7.586 -1.073 854 1HB SER 111 1HB SER 111 -14.001 8.817 0.735 855 2HB SER 111 2HB SER 111 -12.882 9.368 -0.526 856 HG SER 111 HG SER 111 -14.270 10.814 -1.063 857 H ASP 112 H ASP 112 -15.328 9.316 -2.907 858 HA ASP 112 HA ASP 112 -13.995 8.138 -5.280 859 1HB ASP 112 1HB ASP 112 -16.784 9.145 -4.703 860 2HB ASP 112 2HB ASP 112 -16.093 9.578 -6.265 861 H TYR 113 H TYR 113 -12.492 9.407 -6.073 862 HA TYR 113 HA TYR 113 -12.369 12.292 -5.427 863 1HB TYR 113 1HB TYR 113 -10.466 10.306 -5.577 864 2HB TYR 113 2HB TYR 113 -10.342 10.976 -7.189 865 HD1 TYR 113 1HD TYR 113 -9.360 13.184 -7.480 866 HD2 TYR 113 2HD TYR 113 -10.199 11.661 -3.565 867 HE1 TYR 113 1HE TYR 113 -7.736 14.837 -6.506 868 HE2 TYR 113 2HE TYR 113 -8.567 13.249 -2.554 869 HH TYR 113 HH TYR 113 -6.713 15.573 -4.577 870 H GLU 114 H GLU 114 -12.211 13.845 -7.181 871 HA GLU 114 HA GLU 114 -13.648 13.071 -9.614 872 1HB GLU 114 1HB GLU 114 -13.202 15.474 -10.244 873 2HB GLU 114 2HB GLU 114 -14.273 15.216 -8.870 874 1HG GLU 114 1HG GLU 114 -12.677 15.975 -7.315 875 2HG GLU 114 2HG GLU 114 -11.329 15.736 -8.425 876 H VAL 115 H VAL 115 -12.764 13.009 -11.695 877 HA VAL 115 HA VAL 115 -9.851 12.764 -11.935 878 HB VAL 115 HB VAL 115 -10.551 12.045 -14.296 879 1HG1 VAL 115 1HG1 VAL 115 -10.968 9.759 -13.519 880 2HG1 VAL 115 2HG1 VAL 115 -9.712 10.522 -12.529 881 3HG1 VAL 115 3HG1 VAL 115 -11.363 10.363 -11.903 882 1HG2 VAL 115 1HG2 VAL 115 -12.940 12.897 -14.024 883 2HG2 VAL 115 2HG2 VAL 115 -12.766 11.250 -14.670 884 3HG2 VAL 115 3HG2 VAL 115 -13.236 11.513 -12.982 885 H HIS 116 H HIS 116 -9.519 13.782 -14.611 886 HA HIS 116 HA HIS 116 -9.988 16.707 -14.071 887 1HB HIS 116 1HB HIS 116 -7.662 15.985 -13.510 888 2HB HIS 116 2HB HIS 116 -7.438 15.451 -15.168 889 HD1 HIS 116 1HD HIS 116 -5.720 17.742 -13.554 890 HD2 HIS 116 2HD HIS 116 -8.777 18.356 -16.437 891 HE1 HIS 116 1HE HIS 116 -5.475 20.133 -14.442 892 HE2 HIS 116 2HE HIS 116 -7.307 20.479 -16.186 893 H ASP 117 H ASP 117 -8.868 14.447 -16.596 894 HA ASP 117 HA ASP 117 -10.469 15.382 -18.761 895 1HB ASP 117 1HB ASP 117 -9.381 17.533 -18.493 896 2HB ASP 117 2HB ASP 117 -7.795 16.786 -18.337 897 H HIS 118 H HIS 118 -6.927 15.086 -18.847 898 HA HIS 118 HA HIS 118 -6.841 12.190 -18.896 899 1HB HIS 118 1HB HIS 118 -7.509 13.317 -21.290 900 2HB HIS 118 2HB HIS 118 -5.790 13.650 -21.317 901 HD1 HIS 118 1HD HIS 118 -4.646 11.870 -22.788 902 HD2 HIS 118 2HD HIS 118 -8.073 10.527 -20.710 903 HE1 HIS 118 1HE HIS 118 -5.111 9.457 -23.597 904 HE2 HIS 118 2HE HIS 118 -7.221 8.657 -22.304 905 H HIS 119 H HIS 119 -4.372 11.653 -19.349 906 HA HIS 119 HA HIS 119 -2.654 13.492 -17.862 907 1HB HIS 119 1HB HIS 119 -2.448 10.969 -17.918 908 2HB HIS 119 2HB HIS 119 -1.885 11.094 -19.580 909 HD1 HIS 119 1HD HIS 119 0.123 9.712 -18.135 910 HD2 HIS 119 2HD HIS 119 -0.245 13.901 -17.688 911 HE1 HIS 119 1HE HIS 119 2.329 10.554 -17.062 912 HE2 HIS 119 2HE HIS 119 2.066 13.110 -16.779 913 H HIS 120 H HIS 120 -2.562 15.467 -18.919 914 HA HIS 120 HA HIS 120 -2.258 15.864 -21.764 915 1HB HIS 120 1HB HIS 120 -2.752 17.484 -19.464 916 2HB HIS 120 2HB HIS 120 -1.206 18.016 -20.040 917 HD1 HIS 120 1HD HIS 120 -1.860 20.319 -21.263 918 HD2 HIS 120 2HD HIS 120 -4.393 17.024 -22.135 919 HE1 HIS 120 1HE HIS 120 -3.562 21.118 -22.953 920 HE2 HIS 120 2HE HIS 120 -5.072 19.159 -23.538 921 H HIS 121 H HIS 121 -0.213 17.222 -22.456 922 HA HIS 121 HA HIS 121 2.117 15.523 -22.124 923 1HB HIS 121 1HB HIS 121 1.930 18.216 -23.526 924 2HB HIS 121 2HB HIS 121 3.173 17.014 -23.705 925 HD1 HIS 121 1HD HIS 121 2.689 15.043 -25.421 926 HD2 HIS 121 2HD HIS 121 -0.421 17.857 -24.864 927 HE1 HIS 121 1HE HIS 121 0.973 14.685 -27.334 928 HE2 HIS 121 2HE HIS 121 -0.906 16.428 -26.956 929 H GLU 122 H GLU 122 1.981 15.930 -19.675 930 HA GLU 122 HA GLU 122 3.773 18.217 -18.918 931 1HB GLU 122 1HB GLU 122 1.432 17.029 -17.383 932 2HB GLU 122 2HB GLU 122 2.572 18.183 -16.730 933 1HG GLU 122 1HG GLU 122 1.783 19.933 -18.196 934 2HG GLU 122 2HG GLU 122 0.757 18.783 -19.084 935 H HIS 123 H HIS 123 5.491 16.510 -19.384 936 HA HIS 123 HA HIS 123 6.236 15.263 -16.975 937 1HB HIS 123 1HB HIS 123 6.292 12.879 -17.680 938 2HB HIS 123 2HB HIS 123 4.653 13.458 -17.548 939 HD1 HIS 123 1HD HIS 123 6.023 14.589 -20.878 940 HD2 HIS 123 2HD HIS 123 4.593 11.018 -19.106 941 HE1 HIS 123 1HE HIS 123 5.393 13.071 -22.759 942 HE2 HIS 123 2HE HIS 123 4.608 10.827 -21.716 943 H HIS 124 H HIS 124 8.248 14.193 -17.049 944 HA HIS 124 HA HIS 124 10.471 14.586 -17.371 945 1HB HIS 124 1HB HIS 124 9.827 12.348 -18.420 946 2HB HIS 124 2HB HIS 124 9.928 13.161 -19.978 947 HD1 HIS 124 1HD HIS 124 12.015 10.833 -18.337 948 HD2 HIS 124 2HD HIS 124 12.553 14.630 -20.157 949 HE1 HIS 124 1HE HIS 124 14.488 11.058 -18.864 950 HE2 HIS 124 2HE HIS 124 14.793 13.294 -20.066 Start of MODEL 5 1 1H MET 1 1H MET 1 -3.421 -10.435 -4.509 2 HA MET 1 HA MET 1 -3.731 -7.555 -4.861 3 1HB MET 1 1HB MET 1 -5.621 -8.971 -3.985 4 2HB MET 1 2HB MET 1 -4.674 -9.222 -2.514 5 1HG MET 1 1HG MET 1 -5.060 -7.095 -1.777 6 2HG MET 1 2HG MET 1 -4.826 -6.391 -3.367 7 1HE MET 1 1HE MET 1 -6.284 -4.816 -3.673 8 2HE MET 1 2HE MET 1 -7.993 -5.015 -4.058 9 3HE MET 1 3HE MET 1 -7.499 -4.708 -2.380 10 H ILE 2 H ILE 2 -2.456 -6.024 -3.926 11 HA ILE 2 HA ILE 2 -0.755 -6.666 -1.659 12 HB ILE 2 HB ILE 2 0.271 -5.073 -3.995 13 1HG1 ILE 2 1HG1 ILE 2 0.515 -8.072 -3.706 14 2HG1 ILE 2 2HG1 ILE 2 -0.133 -7.175 -5.079 15 1HG2 ILE 2 1HG2 ILE 2 1.369 -4.911 -1.739 16 2HG2 ILE 2 2HG2 ILE 2 1.927 -6.569 -1.972 17 3HG2 ILE 2 3HG2 ILE 2 2.393 -5.298 -3.097 18 1HD1 ILE 2 1HD1 ILE 2 2.781 -7.346 -4.265 19 2HD1 ILE 2 2HD1 ILE 2 2.003 -8.024 -5.704 20 3HD1 ILE 2 3HD1 ILE 2 2.137 -6.264 -5.528 21 H ILE 3 H ILE 3 -0.367 -4.721 -0.494 22 HA ILE 3 HA ILE 3 -2.328 -2.526 -0.841 23 HB ILE 3 HB ILE 3 -1.531 -4.198 1.572 24 1HG1 ILE 3 1HG1 ILE 3 -4.399 -4.110 0.967 25 2HG1 ILE 3 2HG1 ILE 3 -3.484 -4.737 -0.394 26 1HG2 ILE 3 1HG2 ILE 3 -3.408 -2.861 2.725 27 2HG2 ILE 3 2HG2 ILE 3 -1.852 -2.067 2.481 28 3HG2 ILE 3 3HG2 ILE 3 -3.185 -1.677 1.398 29 1HD1 ILE 3 1HD1 ILE 3 -4.196 -6.517 1.160 30 2HD1 ILE 3 2HD1 ILE 3 -2.428 -6.403 1.039 31 3HD1 ILE 3 3HD1 ILE 3 -3.270 -5.753 2.468 32 H ALA 4 H ALA 4 -1.042 -0.743 -1.225 33 HA ALA 4 HA ALA 4 1.632 -0.630 -0.012 34 1HB ALA 4 1HB ALA 4 0.307 0.843 -2.149 35 2HB ALA 4 2HB ALA 4 1.113 1.951 -0.995 36 3HB ALA 4 3HB ALA 4 2.036 0.691 -1.772 37 H ILE 5 H ILE 5 2.389 0.804 1.542 38 HA ILE 5 HA ILE 5 0.483 2.621 2.809 39 HB ILE 5 HB ILE 5 1.910 0.540 4.507 40 1HG1 ILE 5 1HG1 ILE 5 -1.046 0.990 3.910 41 2HG1 ILE 5 2HG1 ILE 5 -0.084 -0.399 3.398 42 1HG2 ILE 5 1HG2 ILE 5 0.064 2.868 5.258 43 2HG2 ILE 5 2HG2 ILE 5 0.800 1.724 6.398 44 3HG2 ILE 5 3HG2 ILE 5 1.824 2.837 5.517 45 1HD1 ILE 5 1HD1 ILE 5 -0.837 0.232 6.266 46 2HD1 ILE 5 2HD1 ILE 5 -1.506 -1.017 5.213 47 3HD1 ILE 5 3HD1 ILE 5 0.194 -1.114 5.714 48 HA PRO 6 HA PRO 6 4.650 4.472 2.445 49 1HB PRO 6 1HB PRO 6 3.916 7.074 2.822 50 2HB PRO 6 2HB PRO 6 3.706 6.236 1.252 51 1HG PRO 6 1HG PRO 6 1.646 6.814 3.370 52 2HG PRO 6 2HG PRO 6 1.484 6.899 1.589 53 1HD PRO 6 1HD PRO 6 0.683 4.756 3.213 54 2HD PRO 6 2HD PRO 6 1.033 4.598 1.470 55 H VAL 7 H VAL 7 5.906 4.308 4.313 56 HA VAL 7 HA VAL 7 4.608 5.055 6.897 57 HB VAL 7 HB VAL 7 6.230 3.481 7.972 58 1HG1 VAL 7 1HG1 VAL 7 4.211 2.182 6.113 59 2HG1 VAL 7 2HG1 VAL 7 4.869 1.559 7.644 60 3HG1 VAL 7 3HG1 VAL 7 3.839 2.974 7.670 61 1HG2 VAL 7 1HG2 VAL 7 7.047 1.546 6.616 62 2HG2 VAL 7 2HG2 VAL 7 6.669 2.440 5.138 63 3HG2 VAL 7 3HG2 VAL 7 7.872 3.056 6.308 64 H SER 8 H SER 8 6.060 5.926 8.525 65 HA SER 8 HA SER 8 7.856 7.931 7.328 66 1HB SER 8 1HB SER 8 7.349 7.274 10.260 67 2HB SER 8 2HB SER 8 8.215 8.668 9.624 68 HG SER 8 HG SER 8 5.451 8.088 9.488 69 H GLU 9 H GLU 9 8.121 4.747 8.980 70 HA GLU 9 HA GLU 9 11.002 4.702 8.459 71 1HB GLU 9 1HB GLU 9 9.754 4.375 11.224 72 2HB GLU 9 2HB GLU 9 11.407 3.949 10.825 73 1HG GLU 9 1HG GLU 9 10.186 6.713 10.740 74 2HG GLU 9 2HG GLU 9 11.260 6.108 11.964 75 H ASN 10 H ASN 10 11.763 2.502 8.741 76 HA ASN 10 HA ASN 10 9.752 0.424 8.033 77 1HB ASN 10 1HB ASN 10 11.694 0.182 6.628 78 2HB ASN 10 2HB ASN 10 12.803 0.539 7.961 79 1HD2 ASN 10 1HD2 ASN 10 13.445 -1.171 9.353 80 2HD2 ASN 10 2HD2 ASN 10 12.776 -2.788 9.222 81 H ARG 11 H ARG 11 8.830 -0.476 9.870 82 HA ARG 11 HA ARG 11 10.784 -1.278 11.914 83 1HB ARG 11 1HB ARG 11 8.187 0.113 12.700 84 2HB ARG 11 2HB ARG 11 9.376 -0.594 13.783 85 1HG ARG 11 1HG ARG 11 11.041 1.035 12.901 86 2HG ARG 11 2HG ARG 11 9.759 1.862 11.991 87 1HD ARG 11 1HD ARG 11 8.615 2.479 14.011 88 2HD ARG 11 2HD ARG 11 9.622 1.383 14.973 89 HE ARG 11 HE ARG 11 11.223 3.345 13.588 90 1HH1 ARG 11 2HH2 ARG 11 9.260 2.774 16.499 91 2HH1 ARG 11 1HH2 ARG 11 10.247 3.719 17.532 92 1HH2 ARG 11 2HH1 ARG 11 12.570 4.650 14.989 93 2HH2 ARG 11 1HH1 ARG 11 12.171 4.769 16.662 94 H GLY 12 H GLY 12 9.639 -2.824 9.794 95 1HA GLY 12 1HA GLY 12 8.155 -4.636 9.358 96 2HA GLY 12 2HA GLY 12 9.025 -5.226 10.774 97 H LYS 13 H LYS 13 6.323 -3.316 9.622 98 HA LYS 13 HA LYS 13 4.145 -3.382 9.832 99 1HB LYS 13 1HB LYS 13 2.967 -5.175 10.565 100 2HB LYS 13 2HB LYS 13 4.544 -5.934 10.421 101 1HG LYS 13 1HG LYS 13 4.857 -5.166 12.904 102 2HG LYS 13 2HG LYS 13 3.117 -4.931 12.898 103 1HD LYS 13 1HD LYS 13 3.359 -7.040 13.802 104 2HD LYS 13 2HD LYS 13 3.022 -7.429 12.103 105 1HE LYS 13 1HE LYS 13 5.498 -7.573 11.694 106 2HE LYS 13 2HE LYS 13 5.798 -7.092 13.367 107 1HZ LYS 13 1HZ LYS 13 4.891 -9.087 14.163 108 2HZ LYS 13 2HZ LYS 13 4.298 -9.528 12.670 109 3HZ LYS 13 3HZ LYS 13 5.913 -9.501 12.920 110 H ASP 14 H ASP 14 6.106 -3.164 12.772 111 HA ASP 14 HA ASP 14 4.226 -1.481 14.198 112 1HB ASP 14 1HB ASP 14 7.243 -1.525 14.541 113 2HB ASP 14 2HB ASP 14 6.029 -0.996 15.673 114 H SER 15 H SER 15 6.037 -1.174 11.402 115 HA SER 15 HA SER 15 7.034 1.278 10.926 116 1HB SER 15 1HB SER 15 5.151 -0.134 9.096 117 2HB SER 15 2HB SER 15 6.581 0.848 8.702 118 HG SER 15 HG SER 15 6.636 -1.565 8.648 119 HA PRO 16 HA PRO 16 3.297 3.629 12.039 120 1HB PRO 16 1HB PRO 16 4.444 6.069 12.394 121 2HB PRO 16 2HB PRO 16 4.621 4.742 13.575 122 1HG PRO 16 1HG PRO 16 6.572 5.631 11.443 123 2HG PRO 16 2HG PRO 16 6.909 5.223 13.154 124 1HD PRO 16 1HD PRO 16 7.258 3.468 11.052 125 2HD PRO 16 2HD PRO 16 6.840 2.926 12.696 126 H ILE 17 H ILE 17 1.813 4.647 10.580 127 HA ILE 17 HA ILE 17 2.554 4.813 7.869 128 HB ILE 17 HB ILE 17 0.217 4.458 8.796 129 1HG1 ILE 17 1HG1 ILE 17 0.370 6.686 6.738 130 2HG1 ILE 17 2HG1 ILE 17 0.827 5.021 6.397 131 1HG2 ILE 17 1HG2 ILE 17 -1.121 6.197 9.467 132 2HG2 ILE 17 2HG2 ILE 17 0.333 6.356 10.445 133 3HG2 ILE 17 3HG2 ILE 17 0.069 7.468 9.078 134 1HD1 ILE 17 1HD1 ILE 17 -1.941 5.936 7.250 135 2HD1 ILE 17 2HD1 ILE 17 -1.421 5.426 5.627 136 3HD1 ILE 17 3HD1 ILE 17 -1.440 4.250 6.951 137 H SER 18 H SER 18 2.884 6.598 6.485 138 HA SER 18 HA SER 18 4.233 8.930 7.676 139 1HB SER 18 1HB SER 18 4.883 7.569 5.457 140 2HB SER 18 2HB SER 18 3.577 8.572 4.777 141 HG SER 18 HG SER 18 6.078 9.334 5.848 142 H GLU 19 H GLU 19 3.655 11.027 6.569 143 HA GLU 19 HA GLU 19 0.812 11.494 6.999 144 1HB GLU 19 1HB GLU 19 3.079 13.307 6.082 145 2HB GLU 19 2HB GLU 19 1.439 13.878 6.447 146 1HG GLU 19 1HG GLU 19 1.676 13.460 8.764 147 2HG GLU 19 2HG GLU 19 3.149 12.495 8.532 148 H HIS 20 H HIS 20 3.036 11.388 4.193 149 HA HIS 20 HA HIS 20 0.720 11.847 2.319 150 1HB HIS 20 1HB HIS 20 3.524 12.899 1.879 151 2HB HIS 20 2HB HIS 20 2.016 13.411 1.141 152 HD1 HIS 20 1HD HIS 20 4.371 14.342 3.862 153 HD2 HIS 20 2HD HIS 20 0.198 14.575 3.280 154 HE1 HIS 20 1HE HIS 20 3.471 16.177 5.444 155 HE2 HIS 20 2HE HIS 20 0.922 16.226 5.105 156 H PHE 21 H PHE 21 1.900 11.476 -0.002 157 HA PHE 21 HA PHE 21 3.205 8.778 0.116 158 1HB PHE 21 1HB PHE 21 0.887 8.544 -0.580 159 2HB PHE 21 2HB PHE 21 1.102 9.785 -1.814 160 HD1 PHE 21 1HD PHE 21 1.741 6.249 -0.924 161 HD2 PHE 21 2HD PHE 21 2.456 9.350 -3.853 162 HE1 PHE 21 1HE PHE 21 2.621 4.568 -2.515 163 HE2 PHE 21 2HE PHE 21 3.282 7.610 -5.456 164 HZ PHE 21 HZ PHE 21 3.426 5.288 -4.762 165 H GLY 22 H GLY 22 2.858 11.875 -1.754 166 1HA GLY 22 1HA GLY 22 4.693 11.270 -3.747 167 2HA GLY 22 2HA GLY 22 4.304 12.903 -3.182 168 H ARG 23 H ARG 23 5.368 12.238 -0.450 169 HA ARG 23 HA ARG 23 8.261 11.746 -0.882 170 1HB ARG 23 1HB ARG 23 8.825 13.432 0.814 171 2HB ARG 23 2HB ARG 23 8.220 14.143 -0.661 172 1HG ARG 23 1HG ARG 23 6.588 15.235 0.383 173 2HG ARG 23 2HG ARG 23 5.996 13.818 1.223 174 1HD ARG 23 1HD ARG 23 7.327 14.167 3.114 175 2HD ARG 23 2HD ARG 23 8.524 15.122 2.236 176 HE ARG 23 HE ARG 23 6.771 16.891 1.988 177 1HH1 ARG 23 2HH2 ARG 23 7.081 14.992 5.045 178 2HH1 ARG 23 1HH2 ARG 23 6.281 16.152 5.957 179 1HH2 ARG 23 2HH1 ARG 23 5.880 18.402 3.218 180 2HH2 ARG 23 1HH1 ARG 23 5.610 18.247 4.915 181 H ALA 24 H ALA 24 7.336 9.625 -0.377 182 HA ALA 24 HA ALA 24 7.072 9.247 2.566 183 1HB ALA 24 1HB ALA 24 6.339 6.977 2.031 184 2HB ALA 24 2HB ALA 24 5.270 8.185 1.268 185 3HB ALA 24 3HB ALA 24 6.490 7.319 0.295 186 HA PRO 25 HA PRO 25 11.362 7.894 1.898 187 1HB PRO 25 1HB PRO 25 11.958 7.004 4.391 188 2HB PRO 25 2HB PRO 25 11.661 8.733 4.031 189 1HG PRO 25 1HG PRO 25 9.670 6.740 5.136 190 2HG PRO 25 2HG PRO 25 10.082 8.358 5.786 191 1HD PRO 25 1HD PRO 25 7.945 7.918 4.151 192 2HD PRO 25 2HD PRO 25 8.910 9.411 4.060 193 H TYR 26 H TYR 26 8.764 5.751 2.900 194 HA TYR 26 HA TYR 26 10.176 3.280 2.124 195 1HB TYR 26 1HB TYR 26 8.991 4.093 4.800 196 2HB TYR 26 2HB TYR 26 9.317 2.427 4.398 197 HD1 TYR 26 1HD TYR 26 10.547 5.171 6.125 198 HD2 TYR 26 2HD TYR 26 11.850 1.843 3.722 199 HE1 TYR 26 1HE TYR 26 12.796 5.509 6.956 200 HE2 TYR 26 2HE TYR 26 14.147 2.105 4.646 201 HH TYR 26 HH TYR 26 15.571 3.428 5.904 202 H PHE 27 H PHE 27 8.667 1.789 1.326 203 HA PHE 27 HA PHE 27 5.769 2.415 1.455 204 1HB PHE 27 1HB PHE 27 7.389 1.379 -0.885 205 2HB PHE 27 2HB PHE 27 5.698 1.337 -0.882 206 HD1 PHE 27 1HD PHE 27 7.989 2.986 -2.504 207 HD2 PHE 27 2HD PHE 27 4.763 3.898 0.174 208 HE1 PHE 27 1HE PHE 27 7.751 5.195 -3.588 209 HE2 PHE 27 2HE PHE 27 4.556 6.133 -0.848 210 HZ PHE 27 HZ PHE 27 6.008 6.790 -2.749 211 H ALA 28 H ALA 28 5.195 1.014 3.033 212 HA ALA 28 HA ALA 28 6.244 -1.733 3.245 213 1HB ALA 28 1HB ALA 28 5.798 -0.472 5.300 214 2HB ALA 28 2HB ALA 28 4.132 -0.151 4.784 215 3HB ALA 28 3HB ALA 28 4.636 -1.811 5.152 216 H PHE 29 H PHE 29 5.515 -2.346 1.050 217 HA PHE 29 HA PHE 29 2.670 -2.453 0.387 218 1HB PHE 29 1HB PHE 29 5.245 -2.994 -0.907 219 2HB PHE 29 2HB PHE 29 4.039 -4.209 -1.305 220 HD1 PHE 29 1HD PHE 29 1.459 -2.729 -1.633 221 HD2 PHE 29 2HD PHE 29 5.488 -1.668 -2.951 222 HE1 PHE 29 1HE PHE 29 0.534 -1.164 -3.263 223 HE2 PHE 29 2HE PHE 29 4.432 -0.356 -4.796 224 HZ PHE 29 HZ PHE 29 1.962 -0.054 -4.899 225 H VAL 30 H VAL 30 1.578 -3.603 1.944 226 HA VAL 30 HA VAL 30 2.454 -6.298 2.810 227 HB VAL 30 HB VAL 30 -0.012 -4.590 3.455 228 1HG1 VAL 30 1HG1 VAL 30 -0.702 -6.751 4.038 229 2HG1 VAL 30 2HG1 VAL 30 0.892 -7.240 4.623 230 3HG1 VAL 30 3HG1 VAL 30 -0.100 -6.107 5.551 231 1HG2 VAL 30 1HG2 VAL 30 1.218 -4.284 5.688 232 2HG2 VAL 30 2HG2 VAL 30 2.671 -4.857 4.852 233 3HG2 VAL 30 3HG2 VAL 30 1.837 -3.393 4.307 234 H LYS 31 H LYS 31 0.702 -8.120 2.648 235 HA LYS 31 HA LYS 31 -0.680 -7.961 0.005 236 1HB LYS 31 1HB LYS 31 0.854 -10.271 1.233 237 2HB LYS 31 2HB LYS 31 -0.110 -10.364 -0.247 238 1HG LYS 31 1HG LYS 31 1.433 -8.377 -1.022 239 2HG LYS 31 2HG LYS 31 2.467 -8.918 0.265 240 1HD LYS 31 1HD LYS 31 3.376 -10.288 -1.316 241 2HD LYS 31 2HD LYS 31 2.001 -11.338 -0.960 242 1HE LYS 31 1HE LYS 31 0.722 -10.183 -2.807 243 2HE LYS 31 2HE LYS 31 2.165 -9.213 -3.137 244 1HZ LYS 31 1HZ LYS 31 3.339 -11.197 -3.738 245 2HZ LYS 31 2HZ LYS 31 1.996 -12.146 -3.455 246 3HZ LYS 31 3HZ LYS 31 2.008 -11.013 -4.649 247 H VAL 32 H VAL 32 -2.115 -10.253 0.044 248 HA VAL 32 HA VAL 32 -3.056 -10.893 2.615 249 HB VAL 32 HB VAL 32 -4.423 -8.912 2.326 250 1HG1 VAL 32 1HG1 VAL 32 -6.064 -8.634 0.520 251 2HG1 VAL 32 2HG1 VAL 32 -4.404 -8.634 -0.071 252 3HG1 VAL 32 3HG1 VAL 32 -5.422 -10.075 -0.273 253 1HG2 VAL 32 1HG2 VAL 32 -5.620 -11.528 2.709 254 2HG2 VAL 32 2HG2 VAL 32 -5.980 -9.987 3.468 255 3HG2 VAL 32 3HG2 VAL 32 -6.764 -10.427 1.941 256 H LYS 33 H LYS 33 -3.770 -12.951 2.637 257 HA LYS 33 HA LYS 33 -4.525 -14.394 0.171 258 1HB LYS 33 1HB LYS 33 -2.082 -14.801 0.439 259 2HB LYS 33 2HB LYS 33 -2.310 -15.107 2.155 260 1HG LYS 33 1HG LYS 33 -1.806 -17.140 1.154 261 2HG LYS 33 2HG LYS 33 -3.483 -17.220 1.657 262 1HD LYS 33 1HD LYS 33 -2.598 -16.635 -1.218 263 2HD LYS 33 2HD LYS 33 -2.910 -18.259 -0.587 264 1HE LYS 33 1HE LYS 33 -5.195 -17.422 0.166 265 2HE LYS 33 2HE LYS 33 -4.876 -15.967 -0.785 266 1HZ LYS 33 1HZ LYS 33 -5.019 -18.683 -1.919 267 2HZ LYS 33 2HZ LYS 33 -6.177 -17.525 -1.985 268 3HZ LYS 33 3HZ LYS 33 -4.747 -17.288 -2.748 269 H ASN 34 H ASN 34 -6.474 -15.411 0.741 270 HA ASN 34 HA ASN 34 -8.088 -16.417 1.962 271 1HB ASN 34 1HB ASN 34 -5.790 -17.434 3.659 272 2HB ASN 34 2HB ASN 34 -7.436 -18.062 3.671 273 1HD2 ASN 34 1HD2 ASN 34 -4.766 -19.355 3.040 274 2HD2 ASN 34 2HD2 ASN 34 -4.975 -20.075 1.465 275 H ASN 35 H ASN 35 -7.743 -13.738 2.567 276 HA ASN 35 HA ASN 35 -8.325 -12.114 3.981 277 1HB ASN 35 1HB ASN 35 -10.119 -14.016 4.563 278 2HB ASN 35 2HB ASN 35 -9.263 -13.969 6.115 279 1HD2 ASN 35 1HD2 ASN 35 -9.046 -11.652 7.063 280 2HD2 ASN 35 2HD2 ASN 35 -10.564 -10.790 7.143 281 H ALA 36 H ALA 36 -5.641 -13.813 4.518 282 HA ALA 36 HA ALA 36 -5.071 -12.595 7.149 283 1HB ALA 36 1HB ALA 36 -3.792 -15.009 5.780 284 2HB ALA 36 2HB ALA 36 -3.319 -14.331 7.343 285 3HB ALA 36 3HB ALA 36 -4.924 -15.079 7.147 286 H ILE 37 H ILE 37 -2.627 -11.972 7.227 287 HA ILE 37 HA ILE 37 -2.146 -9.969 5.349 288 HB ILE 37 HB ILE 37 -0.679 -11.267 7.611 289 1HG1 ILE 37 1HG1 ILE 37 -0.540 -8.950 8.417 290 2HG1 ILE 37 2HG1 ILE 37 -1.249 -8.355 6.916 291 1HG2 ILE 37 1HG2 ILE 37 1.324 -9.855 7.415 292 2HG2 ILE 37 2HG2 ILE 37 1.246 -11.081 6.159 293 3HG2 ILE 37 3HG2 ILE 37 0.838 -9.390 5.772 294 1HD1 ILE 37 1HD1 ILE 37 -2.618 -10.203 8.918 295 2HD1 ILE 37 2HD1 ILE 37 -2.838 -8.444 8.837 296 3HD1 ILE 37 3HD1 ILE 37 -3.381 -9.453 7.487 297 H ALA 38 H ALA 38 -1.281 -13.263 4.993 298 HA ALA 38 HA ALA 38 0.018 -14.484 3.638 299 1HB ALA 38 1HB ALA 38 0.211 -12.278 1.607 300 2HB ALA 38 2HB ALA 38 0.108 -14.022 1.365 301 3HB ALA 38 3HB ALA 38 -1.308 -13.078 1.907 302 H ASP 39 H ASP 39 1.337 -11.125 3.533 303 HA ASP 39 HA ASP 39 4.134 -11.947 3.774 304 1HB ASP 39 1HB ASP 39 3.040 -12.486 1.363 305 2HB ASP 39 2HB ASP 39 3.194 -10.765 1.160 306 H ILE 40 H ILE 40 5.487 -10.003 3.543 307 HA ILE 40 HA ILE 40 4.205 -7.406 3.255 308 HB ILE 40 HB ILE 40 5.692 -8.225 5.785 309 1HG1 ILE 40 1HG1 ILE 40 2.981 -7.046 5.144 310 2HG1 ILE 40 2HG1 ILE 40 3.329 -8.569 5.946 311 1HG2 ILE 40 1HG2 ILE 40 6.756 -6.201 4.985 312 2HG2 ILE 40 2HG2 ILE 40 5.181 -5.379 4.837 313 3HG2 ILE 40 3HG2 ILE 40 5.837 -5.867 6.427 314 1HD1 ILE 40 1HD1 ILE 40 4.263 -7.226 7.879 315 2HD1 ILE 40 2HD1 ILE 40 3.619 -5.772 7.068 316 3HD1 ILE 40 3HD1 ILE 40 2.512 -7.051 7.592 317 H SER 41 H SER 41 5.466 -6.023 2.188 318 HA SER 41 HA SER 41 8.362 -6.465 1.839 319 1HB SER 41 1HB SER 41 6.189 -5.217 0.080 320 2HB SER 41 2HB SER 41 7.868 -4.879 -0.149 321 HG SER 41 HG SER 41 6.891 -6.632 -1.422 322 H VAL 42 H VAL 42 9.511 -4.571 2.541 323 HA VAL 42 HA VAL 42 8.090 -2.047 2.865 324 HB VAL 42 HB VAL 42 9.799 -3.059 5.105 325 1HG1 VAL 42 1HG1 VAL 42 8.717 -1.216 6.459 326 2HG1 VAL 42 2HG1 VAL 42 9.823 -0.705 5.209 327 3HG1 VAL 42 3HG1 VAL 42 8.068 -0.591 4.924 328 1HG2 VAL 42 1HG2 VAL 42 6.801 -3.020 5.188 329 2HG2 VAL 42 2HG2 VAL 42 7.882 -4.434 5.222 330 3HG2 VAL 42 3HG2 VAL 42 7.926 -3.331 6.564 331 H GLU 43 H GLU 43 9.139 -2.076 0.815 332 HA GLU 43 HA GLU 43 12.062 -2.191 0.655 333 1HB GLU 43 1HB GLU 43 9.999 -1.271 -1.388 334 2HB GLU 43 2HB GLU 43 11.659 -1.749 -1.711 335 1HG GLU 43 1HG GLU 43 9.486 -3.639 -0.664 336 2HG GLU 43 2HG GLU 43 9.753 -3.335 -2.364 337 H GLU 44 H GLU 44 13.378 -0.276 0.554 338 HA GLU 44 HA GLU 44 12.269 2.174 1.596 339 1HB GLU 44 1HB GLU 44 14.948 1.952 0.155 340 2HB GLU 44 2HB GLU 44 14.472 3.004 1.472 341 1HG GLU 44 1HG GLU 44 15.837 1.538 2.549 342 2HG GLU 44 2HG GLU 44 14.280 0.775 2.861 343 H ASN 45 H ASN 45 12.119 4.226 0.424 344 HA ASN 45 HA ASN 45 11.324 3.841 -2.407 345 1HB ASN 45 1HB ASN 45 9.788 5.040 -0.963 346 2HB ASN 45 2HB ASN 45 11.050 6.190 -0.528 347 1HD2 ASN 45 1HD2 ASN 45 9.290 7.610 -1.297 348 2HD2 ASN 45 2HD2 ASN 45 9.248 8.127 -2.960 349 HA PRO 46 HA PRO 46 15.578 5.327 -3.133 350 1HB PRO 46 1HB PRO 46 15.741 4.926 -5.838 351 2HB PRO 46 2HB PRO 46 15.864 3.601 -4.647 352 1HG PRO 46 1HG PRO 46 13.433 4.468 -6.233 353 2HG PRO 46 2HG PRO 46 14.052 2.808 -5.966 354 1HD PRO 46 1HD PRO 46 12.007 3.909 -4.508 355 2HD PRO 46 2HD PRO 46 13.151 2.729 -3.817 356 H LEU 47 H LEU 47 12.565 6.633 -4.131 357 HA LEU 47 HA LEU 47 13.820 9.052 -5.396 358 1HB LEU 47 1HB LEU 47 11.309 7.607 -5.947 359 2HB LEU 47 2HB LEU 47 11.810 9.137 -6.695 360 HG LEU 47 HG LEU 47 13.630 6.712 -6.857 361 1HD1 LEU 47 1HD1 LEU 47 11.172 7.325 -8.365 362 2HD1 LEU 47 2HD1 LEU 47 12.478 6.293 -9.017 363 3HD1 LEU 47 3HD1 LEU 47 11.647 5.863 -7.493 364 1HD2 LEU 47 1HD2 LEU 47 13.310 9.249 -8.508 365 2HD2 LEU 47 2HD2 LEU 47 14.690 8.793 -7.488 366 3HD2 LEU 47 3HD2 LEU 47 14.330 7.870 -8.943 367 H ALA 48 H ALA 48 13.168 8.525 -2.494 368 HA ALA 48 HA ALA 48 10.789 9.922 -1.670 369 1HB ALA 48 1HB ALA 48 12.014 8.215 -0.329 370 2HB ALA 48 2HB ALA 48 13.398 9.321 -0.198 371 3HB ALA 48 3HB ALA 48 11.848 9.747 0.542 372 H GLN 49 H GLN 49 14.074 10.960 -2.482 373 HA GLN 49 HA GLN 49 13.444 13.726 -1.595 374 1HB GLN 49 1HB GLN 49 15.589 13.898 -0.508 375 2HB GLN 49 2HB GLN 49 14.647 12.576 0.176 376 1HG GLN 49 1HG GLN 49 15.991 10.960 -1.175 377 2HG GLN 49 2HG GLN 49 16.973 12.315 -1.768 378 1HE2 GLN 49 1HE2 GLN 49 18.344 13.444 -0.193 379 2HE2 GLN 49 2HE2 GLN 49 18.884 12.486 1.179 380 H ASP 50 H ASP 50 14.140 12.009 -4.307 381 HA ASP 50 HA ASP 50 15.871 14.131 -5.457 382 1HB ASP 50 1HB ASP 50 16.416 11.775 -6.001 383 2HB ASP 50 2HB ASP 50 14.833 11.596 -6.774 384 H HIS 51 H HIS 51 14.670 15.912 -5.867 385 HA HIS 51 HA HIS 51 13.078 17.344 -6.531 386 1HB HIS 51 1HB HIS 51 14.166 16.263 -8.625 387 2HB HIS 51 2HB HIS 51 12.592 15.526 -8.883 388 HD1 HIS 51 1HD HIS 51 10.717 18.053 -8.410 389 HD2 HIS 51 2HD HIS 51 14.424 18.058 -10.413 390 HE1 HIS 51 1HE HIS 51 10.684 20.090 -10.021 391 HE2 HIS 51 2HE HIS 51 12.977 20.083 -11.228 392 H VAL 52 H VAL 52 11.851 14.480 -5.456 393 HA VAL 52 HA VAL 52 9.878 13.651 -4.901 394 HB VAL 52 HB VAL 52 8.592 16.399 -4.975 395 1HG1 VAL 52 1HG1 VAL 52 7.210 14.464 -4.206 396 2HG1 VAL 52 2HG1 VAL 52 8.451 14.086 -2.995 397 3HG1 VAL 52 3HG1 VAL 52 7.519 15.592 -2.890 398 1HG2 VAL 52 1HG2 VAL 52 9.518 16.762 -2.653 399 2HG2 VAL 52 2HG2 VAL 52 10.626 15.401 -2.928 400 3HG2 VAL 52 3HG2 VAL 52 10.726 16.877 -3.920 401 H HIS 53 H HIS 53 10.539 13.936 -7.818 402 HA HIS 53 HA HIS 53 7.943 13.130 -8.834 403 1HB HIS 53 1HB HIS 53 7.920 15.640 -9.101 404 2HB HIS 53 2HB HIS 53 9.311 15.494 -10.172 405 HD1 HIS 53 1HD HIS 53 7.887 16.523 -12.220 406 HD2 HIS 53 2HD HIS 53 6.502 12.844 -10.635 407 HE1 HIS 53 1HE HIS 53 6.178 15.568 -13.876 408 HE2 HIS 53 2HE HIS 53 5.360 13.337 -12.917 409 H GLY 54 H GLY 54 10.892 12.110 -8.489 410 1HA GLY 54 1HA GLY 54 11.851 11.737 -11.223 411 2HA GLY 54 2HA GLY 54 12.517 11.077 -9.734 412 H ALA 55 H ALA 55 9.453 10.768 -11.617 413 HA ALA 55 HA ALA 55 8.080 9.004 -12.040 414 1HB ALA 55 1HB ALA 55 9.116 7.134 -13.139 415 2HB ALA 55 2HB ALA 55 9.903 8.655 -13.600 416 3HB ALA 55 3HB ALA 55 10.693 7.554 -12.433 417 H VAL 56 H VAL 56 8.987 9.137 -9.150 418 HA VAL 56 HA VAL 56 8.986 6.971 -7.640 419 HB VAL 56 HB VAL 56 7.307 9.450 -7.619 420 1HG1 VAL 56 1HG1 VAL 56 5.617 8.112 -6.604 421 2HG1 VAL 56 2HG1 VAL 56 6.805 7.353 -5.527 422 3HG1 VAL 56 3HG1 VAL 56 6.422 9.064 -5.337 423 1HG2 VAL 56 1HG2 VAL 56 9.273 8.456 -5.587 424 2HG2 VAL 56 2HG2 VAL 56 9.679 9.410 -7.043 425 3HG2 VAL 56 3HG2 VAL 56 8.632 10.104 -5.799 426 HA PRO 57 HA PRO 57 4.508 5.487 -8.269 427 1HB PRO 57 1HB PRO 57 3.052 6.257 -10.489 428 2HB PRO 57 2HB PRO 57 2.996 7.114 -8.920 429 1HG PRO 57 1HG PRO 57 4.444 7.813 -11.467 430 2HG PRO 57 2HG PRO 57 3.654 8.918 -10.303 431 1HD PRO 57 1HD PRO 57 6.345 8.419 -10.457 432 2HD PRO 57 2HD PRO 57 5.573 8.971 -8.969 433 H ASN 58 H ASN 58 6.612 5.920 -11.147 434 HA ASN 58 HA ASN 58 5.386 3.703 -12.592 435 1HB ASN 58 1HB ASN 58 6.723 5.516 -13.766 436 2HB ASN 58 2HB ASN 58 8.174 4.875 -12.975 437 1HD2 ASN 58 1HD2 ASN 58 5.361 3.812 -15.010 438 2HD2 ASN 58 2HD2 ASN 58 6.170 2.424 -15.677 439 H PHE 59 H PHE 59 8.120 4.228 -10.370 440 HA PHE 59 HA PHE 59 9.120 1.574 -10.258 441 1HB PHE 59 1HB PHE 59 10.413 3.146 -9.145 442 2HB PHE 59 2HB PHE 59 9.050 3.909 -8.366 443 HD1 PHE 59 1HD PHE 59 10.625 0.450 -8.406 444 HD2 PHE 59 2HD PHE 59 8.799 3.604 -6.069 445 HE1 PHE 59 1HE PHE 59 10.937 -0.890 -6.328 446 HE2 PHE 59 2HE PHE 59 9.127 2.254 -4.042 447 HZ PHE 59 HZ PHE 59 10.229 0.030 -4.149 448 H VAL 60 H VAL 60 6.702 3.025 -7.920 449 HA VAL 60 HA VAL 60 6.118 0.441 -6.921 450 HB VAL 60 HB VAL 60 3.911 1.535 -6.132 451 1HG1 VAL 60 1HG1 VAL 60 6.586 2.678 -5.159 452 2HG1 VAL 60 2HG1 VAL 60 5.080 2.624 -4.230 453 3HG1 VAL 60 3HG1 VAL 60 5.920 1.126 -4.630 454 1HG2 VAL 60 1HG2 VAL 60 5.306 4.111 -6.648 455 2HG2 VAL 60 2HG2 VAL 60 4.055 3.410 -7.745 456 3HG2 VAL 60 3HG2 VAL 60 3.648 3.754 -6.082 457 H LYS 61 H LYS 61 4.341 2.099 -9.553 458 HA LYS 61 HA LYS 61 2.492 0.102 -10.142 459 1HB LYS 61 1HB LYS 61 2.742 2.405 -11.195 460 2HB LYS 61 2HB LYS 61 3.944 1.699 -12.283 461 1HG LYS 61 1HG LYS 61 1.523 0.081 -12.263 462 2HG LYS 61 2HG LYS 61 1.074 1.770 -12.454 463 1HD LYS 61 1HD LYS 61 3.044 0.281 -14.218 464 2HD LYS 61 2HD LYS 61 1.317 0.431 -14.545 465 1HE LYS 61 1HE LYS 61 1.567 2.925 -14.549 466 2HE LYS 61 2HE LYS 61 3.322 2.711 -14.354 467 1HZ LYS 61 1HZ LYS 61 2.704 2.979 -16.689 468 2HZ LYS 61 2HZ LYS 61 3.325 1.482 -16.430 469 3HZ LYS 61 3HZ LYS 61 1.686 1.690 -16.594 470 H GLU 62 H GLU 62 5.949 -0.225 -10.613 471 HA GLU 62 HA GLU 62 5.626 -2.623 -12.278 472 1HB GLU 62 1HB GLU 62 7.766 -2.300 -12.663 473 2HB GLU 62 2HB GLU 62 7.700 -0.858 -11.714 474 1HG GLU 62 1HG GLU 62 9.328 -1.714 -10.518 475 2HG GLU 62 2HG GLU 62 8.172 -2.726 -9.705 476 H LYS 63 H LYS 63 5.417 -1.824 -8.903 477 HA LYS 63 HA LYS 63 6.126 -4.482 -7.931 478 1HB LYS 63 1HB LYS 63 4.976 -2.180 -6.347 479 2HB LYS 63 2HB LYS 63 5.865 -3.558 -5.775 480 1HG LYS 63 1HG LYS 63 7.079 -1.410 -7.517 481 2HG LYS 63 2HG LYS 63 7.129 -1.387 -5.767 482 1HD LYS 63 1HD LYS 63 8.301 -3.626 -7.454 483 2HD LYS 63 2HD LYS 63 9.200 -2.196 -6.949 484 1HE LYS 63 1HE LYS 63 8.521 -2.779 -4.515 485 2HE LYS 63 2HE LYS 63 7.940 -4.296 -5.186 486 1HZ LYS 63 1HZ LYS 63 10.081 -4.788 -4.522 487 2HZ LYS 63 2HZ LYS 63 10.251 -4.587 -6.133 488 3HZ LYS 63 3HZ LYS 63 10.741 -3.413 -5.097 489 H GLY 64 H GLY 64 3.912 -4.429 -9.684 490 1HA GLY 64 1HA GLY 64 1.841 -5.337 -10.021 491 2HA GLY 64 2HA GLY 64 2.486 -6.476 -8.844 492 H ALA 65 H ALA 65 1.498 -3.210 -7.783 493 HA ALA 65 HA ALA 65 -0.079 -4.370 -5.788 494 1HB ALA 65 1HB ALA 65 -0.397 -2.118 -5.012 495 2HB ALA 65 2HB ALA 65 1.220 -2.214 -5.752 496 3HB ALA 65 3HB ALA 65 -0.105 -1.449 -6.641 497 H GLU 66 H GLU 66 -2.261 -3.406 -5.123 498 HA GLU 66 HA GLU 66 -4.275 -3.217 -7.295 499 1HB GLU 66 1HB GLU 66 -3.958 -5.448 -5.311 500 2HB GLU 66 2HB GLU 66 -5.587 -4.905 -5.739 501 1HG GLU 66 1HG GLU 66 -5.358 -5.408 -8.004 502 2HG GLU 66 2HG GLU 66 -3.601 -5.637 -7.893 503 H LEU 67 H LEU 67 -3.289 -2.812 -3.863 504 HA LEU 67 HA LEU 67 -5.478 -0.880 -3.500 505 1HB LEU 67 1HB LEU 67 -5.759 -3.195 -2.272 506 2HB LEU 67 2HB LEU 67 -4.398 -2.693 -1.311 507 HG LEU 67 HG LEU 67 -5.853 -0.530 -0.842 508 1HD1 LEU 67 1HD1 LEU 67 -8.256 -0.935 -0.919 509 2HD1 LEU 67 2HD1 LEU 67 -7.561 -1.078 -2.531 510 3HD1 LEU 67 3HD1 LEU 67 -8.009 -2.548 -1.621 511 1HD2 LEU 67 1HD2 LEU 67 -6.991 -1.665 1.028 512 2HD2 LEU 67 2HD2 LEU 67 -6.446 -3.221 0.357 513 3HD2 LEU 67 3HD2 LEU 67 -5.278 -2.010 0.920 514 H VAL 68 H VAL 68 -4.905 0.814 -2.071 515 HA VAL 68 HA VAL 68 -2.205 0.983 -0.941 516 HB VAL 68 HB VAL 68 -3.416 3.390 -2.319 517 1HG1 VAL 68 1HG1 VAL 68 -1.347 4.379 -2.152 518 2HG1 VAL 68 2HG1 VAL 68 -1.259 3.325 -0.724 519 3HG1 VAL 68 3HG1 VAL 68 -0.473 2.851 -2.250 520 1HG2 VAL 68 1HG2 VAL 68 -2.024 3.006 -4.328 521 2HG2 VAL 68 2HG2 VAL 68 -1.629 1.370 -3.739 522 3HG2 VAL 68 3HG2 VAL 68 -3.308 1.832 -4.125 523 H ILE 69 H ILE 69 -2.298 2.166 1.063 524 HA ILE 69 HA ILE 69 -4.873 3.398 1.830 525 HB ILE 69 HB ILE 69 -3.137 1.588 3.555 526 1HG1 ILE 69 1HG1 ILE 69 -6.051 1.135 2.797 527 2HG1 ILE 69 2HG1 ILE 69 -4.712 0.403 1.914 528 1HG2 ILE 69 1HG2 ILE 69 -5.097 2.021 5.188 529 2HG2 ILE 69 2HG2 ILE 69 -3.910 3.288 5.014 530 3HG2 ILE 69 3HG2 ILE 69 -5.494 3.406 4.183 531 1HD1 ILE 69 1HD1 ILE 69 -5.480 -1.228 3.454 532 2HD1 ILE 69 2HD1 ILE 69 -3.905 -0.658 4.036 533 3HD1 ILE 69 3HD1 ILE 69 -5.400 -0.115 4.824 534 H VAL 70 H VAL 70 -4.392 5.501 2.007 535 HA VAL 70 HA VAL 70 -1.711 6.313 3.004 536 HB VAL 70 HB VAL 70 -1.713 8.118 1.311 537 1HG1 VAL 70 1HG1 VAL 70 -1.075 6.783 -0.610 538 2HG1 VAL 70 2HG1 VAL 70 -0.553 5.964 0.868 539 3HG1 VAL 70 3HG1 VAL 70 -1.986 5.392 0.008 540 1HG2 VAL 70 1HG2 VAL 70 -4.074 6.689 0.032 541 2HG2 VAL 70 2HG2 VAL 70 -4.148 8.274 0.837 542 3HG2 VAL 70 3HG2 VAL 70 -3.194 8.035 -0.639 543 H ARG 71 H ARG 71 -1.822 8.783 3.379 544 HA ARG 71 HA ARG 71 -4.245 9.365 5.011 545 1HB ARG 71 1HB ARG 71 -2.292 8.794 6.290 546 2HB ARG 71 2HB ARG 71 -1.312 10.019 5.528 547 1HG ARG 71 1HG ARG 71 -2.418 11.778 6.666 548 2HG ARG 71 2HG ARG 71 -3.878 10.809 6.882 549 1HD ARG 71 1HD ARG 71 -2.348 9.295 8.416 550 2HD ARG 71 2HD ARG 71 -1.332 10.698 8.558 551 HE ARG 71 HE ARG 71 -4.243 10.469 9.161 552 1HH1 ARG 71 2HH2 ARG 71 -1.175 12.024 10.120 553 2HH1 ARG 71 1HH2 ARG 71 -1.930 13.183 11.152 554 1HH2 ARG 71 2HH1 ARG 71 -5.209 11.826 10.575 555 2HH2 ARG 71 1HH1 ARG 71 -4.327 12.753 11.715 556 H GLY 72 H GLY 72 -1.696 11.685 4.115 557 1HA GLY 72 1HA GLY 72 -3.683 13.275 2.583 558 2HA GLY 72 2HA GLY 72 -2.260 13.867 3.433 559 H ILE 73 H ILE 73 -3.025 11.545 0.847 560 HA ILE 73 HA ILE 73 -0.616 11.916 -0.655 561 HB ILE 73 HB ILE 73 -1.964 9.899 -0.682 562 1HG1 ILE 73 1HG1 ILE 73 -2.286 10.879 -3.517 563 2HG1 ILE 73 2HG1 ILE 73 -0.680 10.646 -2.812 564 1HG2 ILE 73 1HG2 ILE 73 -4.166 11.529 -2.052 565 2HG2 ILE 73 2HG2 ILE 73 -4.202 9.780 -1.792 566 3HG2 ILE 73 3HG2 ILE 73 -4.215 10.864 -0.415 567 1HD1 ILE 73 1HD1 ILE 73 -1.158 8.289 -2.390 568 2HD1 ILE 73 2HD1 ILE 73 -2.828 8.491 -2.962 569 3HD1 ILE 73 3HD1 ILE 73 -1.492 8.667 -4.088 570 H GLY 74 H GLY 74 -1.059 12.586 -3.250 571 1HA GLY 74 1HA GLY 74 -2.659 15.069 -3.433 572 2HA GLY 74 2HA GLY 74 -0.970 15.047 -3.954 573 H ARG 75 H ARG 75 -3.175 15.590 -5.720 574 HA ARG 75 HA ARG 75 -4.405 13.383 -6.805 575 1HB ARG 75 1HB ARG 75 -5.170 15.698 -7.060 576 2HB ARG 75 2HB ARG 75 -3.847 16.038 -8.172 577 1HG ARG 75 1HG ARG 75 -6.021 15.739 -9.286 578 2HG ARG 75 2HG ARG 75 -4.816 14.608 -9.883 579 1HD ARG 75 1HD ARG 75 -5.866 12.749 -8.874 580 2HD ARG 75 2HD ARG 75 -6.723 13.746 -7.693 581 HE ARG 75 HE ARG 75 -8.360 14.318 -9.273 582 1HH1 ARG 75 2HH2 ARG 75 -6.106 11.935 -10.755 583 2HH1 ARG 75 1HH2 ARG 75 -7.241 11.501 -11.966 584 1HH2 ARG 75 2HH1 ARG 75 -9.772 13.721 -10.855 585 2HH2 ARG 75 1HH1 ARG 75 -9.297 12.717 -12.150 586 H ARG 76 H ARG 76 -1.227 14.670 -7.958 587 HA ARG 76 HA ARG 76 -1.091 13.108 -10.319 588 1HB ARG 76 1HB ARG 76 0.615 14.820 -9.636 589 2HB ARG 76 2HB ARG 76 1.191 13.715 -8.381 590 1HG ARG 76 1HG ARG 76 1.740 12.025 -10.215 591 2HG ARG 76 2HG ARG 76 1.229 13.230 -11.399 592 1HD ARG 76 1HD ARG 76 3.606 13.294 -11.264 593 2HD ARG 76 2HD ARG 76 2.973 14.764 -10.515 594 HE ARG 76 HE ARG 76 3.719 12.390 -8.863 595 1HH1 ARG 76 2HH2 ARG 76 4.535 15.792 -9.721 596 2HH1 ARG 76 1HH2 ARG 76 5.317 16.067 -8.196 597 1HH2 ARG 76 2HH1 ARG 76 4.991 12.735 -7.047 598 2HH2 ARG 76 1HH1 ARG 76 5.877 14.215 -6.871 599 H ALA 77 H ALA 77 -0.555 12.122 -6.910 600 HA ALA 77 HA ALA 77 0.453 9.518 -7.749 601 1HB ALA 77 1HB ALA 77 0.414 9.033 -5.325 602 2HB ALA 77 2HB ALA 77 1.281 10.546 -5.691 603 3HB ALA 77 3HB ALA 77 -0.367 10.610 -5.048 604 H ILE 78 H ILE 78 -2.756 10.866 -7.017 605 HA ILE 78 HA ILE 78 -4.115 8.319 -6.871 606 HB ILE 78 HB ILE 78 -5.124 10.966 -7.912 607 1HG1 ILE 78 1HG1 ILE 78 -4.342 11.257 -5.622 608 2HG1 ILE 78 2HG1 ILE 78 -6.082 11.315 -5.731 609 1HG2 ILE 78 1HG2 ILE 78 -6.626 8.470 -7.057 610 2HG2 ILE 78 2HG2 ILE 78 -7.379 10.054 -7.322 611 3HG2 ILE 78 3HG2 ILE 78 -6.597 9.212 -8.657 612 1HD1 ILE 78 1HD1 ILE 78 -6.281 9.048 -4.804 613 2HD1 ILE 78 2HD1 ILE 78 -4.502 8.920 -4.730 614 3HD1 ILE 78 3HD1 ILE 78 -5.355 10.115 -3.745 615 H ALA 79 H ALA 79 -3.249 10.589 -9.547 616 HA ALA 79 HA ALA 79 -4.331 9.078 -11.642 617 1HB ALA 79 1HB ALA 79 -2.984 10.424 -13.124 618 2HB ALA 79 2HB ALA 79 -3.666 11.435 -11.839 619 3HB ALA 79 3HB ALA 79 -1.953 10.945 -11.782 620 H ALA 80 H ALA 80 -1.338 8.427 -9.827 621 HA ALA 80 HA ALA 80 -0.100 6.742 -11.778 622 1HB ALA 80 1HB ALA 80 -0.033 6.597 -8.712 623 2HB ALA 80 2HB ALA 80 1.044 5.789 -9.821 624 3HB ALA 80 3HB ALA 80 1.029 7.597 -9.726 625 H PHE 81 H PHE 81 -2.134 5.899 -8.867 626 HA PHE 81 HA PHE 81 -2.351 3.228 -9.402 627 1HB PHE 81 1HB PHE 81 -4.148 5.175 -7.883 628 2HB PHE 81 2HB PHE 81 -3.974 3.467 -7.579 629 HD1 PHE 81 1HD PHE 81 -0.880 3.263 -7.754 630 HD2 PHE 81 2HD PHE 81 -3.556 5.971 -5.732 631 HE1 PHE 81 1HE PHE 81 0.854 3.699 -6.063 632 HE2 PHE 81 2HE PHE 81 -1.836 6.343 -3.987 633 HZ PHE 81 HZ PHE 81 0.375 5.246 -4.162 634 H GLU 82 H GLU 82 -4.412 6.046 -10.331 635 HA GLU 82 HA GLU 82 -6.472 4.677 -11.619 636 1HB GLU 82 1HB GLU 82 -5.036 7.247 -12.335 637 2HB GLU 82 2HB GLU 82 -6.441 6.681 -13.192 638 1HG GLU 82 1HG GLU 82 -7.058 6.647 -10.356 639 2HG GLU 82 2HG GLU 82 -6.362 8.217 -10.792 640 H ALA 83 H ALA 83 -3.038 4.988 -12.718 641 HA ALA 83 HA ALA 83 -3.657 4.377 -15.470 642 1HB ALA 83 1HB ALA 83 -1.021 4.023 -14.019 643 2HB ALA 83 2HB ALA 83 -1.276 4.313 -15.744 644 3HB ALA 83 3HB ALA 83 -1.601 5.618 -14.579 645 H MET 84 H MET 84 -3.611 2.524 -12.635 646 HA MET 84 HA MET 84 -3.495 -0.039 -14.153 647 1HB MET 84 1HB MET 84 -2.413 -0.955 -12.017 648 2HB MET 84 2HB MET 84 -1.402 -0.061 -13.166 649 1HG MET 84 1HG MET 84 -1.528 1.920 -11.755 650 2HG MET 84 2HG MET 84 -2.619 1.099 -10.657 651 1HE MET 84 1HE MET 84 -0.157 -1.571 -11.715 652 2HE MET 84 2HE MET 84 0.605 -1.818 -10.158 653 3HE MET 84 3HE MET 84 -1.155 -1.883 -10.280 654 H GLY 85 H GLY 85 -5.637 1.868 -12.822 655 1HA GLY 85 1HA GLY 85 -7.546 1.666 -11.533 656 2HA GLY 85 2HA GLY 85 -7.574 -0.015 -12.103 657 H VAL 86 H VAL 86 -5.028 1.463 -10.060 658 HA VAL 86 HA VAL 86 -5.482 -0.571 -7.972 659 HB VAL 86 HB VAL 86 -3.325 1.507 -8.618 660 1HG1 VAL 86 1HG1 VAL 86 -3.549 1.732 -6.215 661 2HG1 VAL 86 2HG1 VAL 86 -3.562 -0.028 -5.978 662 3HG1 VAL 86 3HG1 VAL 86 -2.087 0.783 -6.549 663 1HG2 VAL 86 1HG2 VAL 86 -3.427 -1.500 -8.061 664 2HG2 VAL 86 2HG2 VAL 86 -3.250 -0.768 -9.638 665 3HG2 VAL 86 3HG2 VAL 86 -1.959 -0.626 -8.420 666 H LYS 87 H LYS 87 -6.898 -0.295 -6.374 667 HA LYS 87 HA LYS 87 -8.307 2.256 -6.145 668 1HB LYS 87 1HB LYS 87 -9.231 -0.142 -5.642 669 2HB LYS 87 2HB LYS 87 -8.373 0.003 -4.130 670 1HG LYS 87 1HG LYS 87 -9.703 2.391 -4.124 671 2HG LYS 87 2HG LYS 87 -10.790 1.461 -5.139 672 1HD LYS 87 1HD LYS 87 -9.849 0.314 -2.479 673 2HD LYS 87 2HD LYS 87 -10.992 1.637 -2.467 674 1HE LYS 87 1HE LYS 87 -12.104 -0.536 -2.282 675 2HE LYS 87 2HE LYS 87 -12.639 0.402 -3.682 676 1HZ LYS 87 1HZ LYS 87 -12.186 -2.040 -4.014 677 2HZ LYS 87 2HZ LYS 87 -11.531 -1.037 -5.120 678 3HZ LYS 87 3HZ LYS 87 -10.593 -1.704 -3.937 679 H VAL 88 H VAL 88 -8.099 3.825 -4.447 680 HA VAL 88 HA VAL 88 -5.890 3.357 -2.556 681 HB VAL 88 HB VAL 88 -4.898 4.561 -4.306 682 1HG1 VAL 88 1HG1 VAL 88 -5.705 6.705 -5.260 683 2HG1 VAL 88 2HG1 VAL 88 -6.787 5.369 -5.614 684 3HG1 VAL 88 3HG1 VAL 88 -7.220 6.535 -4.350 685 1HG2 VAL 88 1HG2 VAL 88 -4.190 6.638 -3.318 686 2HG2 VAL 88 2HG2 VAL 88 -5.621 6.700 -2.274 687 3HG2 VAL 88 3HG2 VAL 88 -4.399 5.435 -2.032 688 H ILE 89 H ILE 89 -6.688 3.353 -0.636 689 HA ILE 89 HA ILE 89 -9.040 4.887 0.225 690 HB ILE 89 HB ILE 89 -7.117 2.880 1.458 691 1HG1 ILE 89 1HG1 ILE 89 -10.118 2.550 1.421 692 2HG1 ILE 89 2HG1 ILE 89 -9.256 2.337 -0.088 693 1HG2 ILE 89 1HG2 ILE 89 -7.555 4.436 3.259 694 2HG2 ILE 89 2HG2 ILE 89 -9.276 4.442 2.907 695 3HG2 ILE 89 3HG2 ILE 89 -8.497 2.978 3.546 696 1HD1 ILE 89 1HD1 ILE 89 -8.673 0.831 2.479 697 2HD1 ILE 89 2HD1 ILE 89 -9.516 0.217 1.031 698 3HD1 ILE 89 3HD1 ILE 89 -7.798 0.654 0.941 699 H LYS 90 H LYS 90 -8.825 6.738 1.514 700 HA LYS 90 HA LYS 90 -6.085 7.772 2.036 701 1HB LYS 90 1HB LYS 90 -8.637 8.941 0.957 702 2HB LYS 90 2HB LYS 90 -7.376 9.983 1.606 703 1HG LYS 90 1HG LYS 90 -5.920 9.567 -0.114 704 2HG LYS 90 2HG LYS 90 -6.549 7.976 -0.502 705 1HD LYS 90 1HD LYS 90 -8.200 10.454 -0.985 706 2HD LYS 90 2HD LYS 90 -7.001 9.910 -2.178 707 1HE LYS 90 1HE LYS 90 -8.114 7.683 -2.258 708 2HE LYS 90 2HE LYS 90 -9.279 8.241 -1.061 709 1HZ LYS 90 1HZ LYS 90 -9.111 9.034 -3.875 710 2HZ LYS 90 2HZ LYS 90 -10.367 8.442 -2.981 711 3HZ LYS 90 3HZ LYS 90 -9.898 9.971 -2.725 712 H GLY 91 H GLY 91 -6.271 9.639 3.670 713 1HA GLY 91 1HA GLY 91 -6.979 10.546 5.646 714 2HA GLY 91 2HA GLY 91 -8.530 9.746 5.384 715 H ALA 92 H ALA 92 -5.938 7.439 5.480 716 HA ALA 92 HA ALA 92 -6.917 6.284 7.930 717 1HB ALA 92 1HB ALA 92 -5.921 4.992 6.037 718 2HB ALA 92 2HB ALA 92 -4.345 5.745 6.363 719 3HB ALA 92 3HB ALA 92 -5.092 4.668 7.566 720 H SER 93 H SER 93 -5.169 5.650 9.678 721 HA SER 93 HA SER 93 -2.848 7.092 9.924 722 1HB SER 93 1HB SER 93 -3.109 8.239 12.031 723 2HB SER 93 2HB SER 93 -4.085 8.963 10.766 724 HG SER 93 HG SER 93 -5.919 7.796 11.770 725 H GLY 94 H GLY 94 -1.518 6.059 11.658 726 1HA GLY 94 1HA GLY 94 -1.897 4.538 13.690 727 2HA GLY 94 2HA GLY 94 -2.652 3.421 12.554 728 H THR 95 H THR 95 -0.903 1.940 13.469 729 HA THR 95 HA THR 95 1.669 2.207 12.041 730 HB THR 95 HB THR 95 2.009 -0.107 13.094 731 HG1 THR 95 1HG THR 95 0.518 -0.563 14.825 732 1HG2 THR 95 1HG2 THR 95 2.893 1.952 14.177 733 2HG2 THR 95 2HG2 THR 95 1.374 2.105 15.096 734 3HG2 THR 95 3HG2 THR 95 2.438 0.697 15.340 735 H VAL 96 H VAL 96 2.251 0.116 10.777 736 HA VAL 96 HA VAL 96 0.426 -0.123 8.618 737 HB VAL 96 HB VAL 96 2.970 -1.516 9.452 738 1HG1 VAL 96 1HG1 VAL 96 2.897 -2.895 7.331 739 2HG1 VAL 96 2HG1 VAL 96 1.804 -3.460 8.597 740 3HG1 VAL 96 3HG1 VAL 96 1.164 -2.532 7.229 741 1HG2 VAL 96 1HG2 VAL 96 3.754 -0.590 7.386 742 2HG2 VAL 96 2HG2 VAL 96 2.105 -0.161 6.893 743 3HG2 VAL 96 3HG2 VAL 96 2.852 0.655 8.279 744 H GLU 97 H GLU 97 1.217 -2.451 11.234 745 HA GLU 97 HA GLU 97 -0.652 -4.335 10.238 746 1HB GLU 97 1HB GLU 97 -0.599 -5.530 12.310 747 2HB GLU 97 2HB GLU 97 1.014 -5.096 11.762 748 1HG GLU 97 1HG GLU 97 1.172 -3.310 13.422 749 2HG GLU 97 2HG GLU 97 -0.506 -3.563 13.909 750 H GLU 98 H GLU 98 -1.231 -1.612 12.335 751 HA GLU 98 HA GLU 98 -3.922 -2.337 13.060 752 1HB GLU 98 1HB GLU 98 -2.449 -0.838 14.351 753 2HB GLU 98 2HB GLU 98 -2.513 0.369 13.058 754 1HG GLU 98 1HG GLU 98 -4.882 0.731 13.410 755 2HG GLU 98 2HG GLU 98 -4.996 -0.682 14.485 756 H VAL 99 H VAL 99 -2.548 -0.017 10.576 757 HA VAL 99 HA VAL 99 -5.031 0.756 9.501 758 HB VAL 99 HB VAL 99 -2.133 0.663 8.535 759 1HG1 VAL 99 1HG1 VAL 99 -2.727 2.122 6.683 760 2HG1 VAL 99 2HG1 VAL 99 -3.496 0.541 6.505 761 3HG1 VAL 99 3HG1 VAL 99 -4.449 1.920 7.124 762 1HG2 VAL 99 1HG2 VAL 99 -3.989 3.021 9.121 763 2HG2 VAL 99 2HG2 VAL 99 -2.856 2.355 10.322 764 3HG2 VAL 99 3HG2 VAL 99 -2.243 3.084 8.828 765 H VAL 100 H VAL 100 -2.863 -1.980 8.726 766 HA VAL 100 HA VAL 100 -4.342 -2.993 6.491 767 HB VAL 100 HB VAL 100 -2.441 -4.258 8.508 768 1HG1 VAL 100 1HG1 VAL 100 -2.238 -6.185 6.919 769 2HG1 VAL 100 2HG1 VAL 100 -3.783 -6.122 7.762 770 3HG1 VAL 100 3HG1 VAL 100 -3.666 -5.587 6.059 771 1HG2 VAL 100 1HG2 VAL 100 -2.116 -3.652 5.529 772 2HG2 VAL 100 2HG2 VAL 100 -1.531 -2.614 6.838 773 3HG2 VAL 100 3HG2 VAL 100 -0.866 -4.230 6.660 774 H ASN 101 H ASN 101 -4.493 -3.821 10.046 775 HA ASN 101 HA ASN 101 -6.684 -5.585 9.779 776 1HB ASN 101 1HB ASN 101 -5.364 -5.476 11.821 777 2HB ASN 101 2HB ASN 101 -5.810 -3.790 12.092 778 1HD2 ASN 101 1HD2 ASN 101 -7.085 -3.834 13.965 779 2HD2 ASN 101 2HD2 ASN 101 -8.515 -4.806 14.138 780 H GLN 102 H GLN 102 -6.729 -2.014 10.245 781 HA GLN 102 HA GLN 102 -9.554 -1.781 10.552 782 1HB GLN 102 1HB GLN 102 -7.559 0.212 9.376 783 2HB GLN 102 2HB GLN 102 -9.240 0.544 9.720 784 1HG GLN 102 1HG GLN 102 -8.357 -0.480 12.163 785 2HG GLN 102 2HG GLN 102 -6.919 0.344 11.561 786 1HE2 GLN 102 1HE2 GLN 102 -6.973 2.146 12.950 787 2HE2 GLN 102 2HE2 GLN 102 -8.241 3.328 12.964 788 H TYR 103 H TYR 103 -7.572 -2.127 7.615 789 HA TYR 103 HA TYR 103 -9.865 -1.602 5.852 790 1HB TYR 103 1HB TYR 103 -7.862 -0.891 4.975 791 2HB TYR 103 2HB TYR 103 -6.968 -2.311 5.476 792 HD1 TYR 103 1HD TYR 103 -9.648 -1.149 3.121 793 HD2 TYR 103 2HD TYR 103 -6.832 -4.277 4.112 794 HE1 TYR 103 1HE TYR 103 -10.134 -2.296 0.961 795 HE2 TYR 103 2HE TYR 103 -7.376 -5.425 2.068 796 HH TYR 103 HH TYR 103 -9.344 -5.570 0.407 797 H LEU 104 H LEU 104 -8.054 -4.561 6.925 798 HA LEU 104 HA LEU 104 -9.705 -6.369 5.522 799 1HB LEU 104 1HB LEU 104 -8.053 -6.561 8.075 800 2HB LEU 104 2HB LEU 104 -9.119 -7.875 7.591 801 HG LEU 104 HG LEU 104 -8.024 -7.796 5.302 802 1HD1 LEU 104 1HD1 LEU 104 -6.768 -5.681 5.556 803 2HD1 LEU 104 2HD1 LEU 104 -5.781 -6.441 6.802 804 3HD1 LEU 104 3HD1 LEU 104 -5.729 -7.034 5.122 805 1HD2 LEU 104 1HD2 LEU 104 -6.154 -9.210 6.002 806 2HD2 LEU 104 2HD2 LEU 104 -6.289 -8.590 7.668 807 3HD2 LEU 104 3HD2 LEU 104 -7.595 -9.579 6.971 808 H SER 105 H SER 105 -10.260 -4.546 8.435 809 HA SER 105 HA SER 105 -12.698 -5.870 9.272 810 1HB SER 105 1HB SER 105 -11.523 -3.126 9.854 811 2HB SER 105 2HB SER 105 -12.924 -3.803 10.666 812 HG SER 105 HG SER 105 -10.251 -4.770 10.662 813 H GLY 106 H GLY 106 -12.051 -3.787 6.585 814 1HA GLY 106 1HA GLY 106 -13.342 -2.623 5.155 815 2HA GLY 106 2HA GLY 106 -14.782 -3.318 5.906 816 H GLN 107 H GLN 107 -12.626 -1.602 8.076 817 HA GLN 107 HA GLN 107 -14.699 0.401 8.625 818 1HB GLN 107 1HB GLN 107 -11.832 0.191 9.635 819 2HB GLN 107 2HB GLN 107 -13.033 1.321 10.221 820 1HG GLN 107 1HG GLN 107 -13.499 -1.686 10.354 821 2HG GLN 107 2HG GLN 107 -12.563 -0.847 11.578 822 1HE2 GLN 107 1HE2 GLN 107 -13.725 1.188 12.510 823 2HE2 GLN 107 2HE2 GLN 107 -15.399 0.904 12.979 824 H LEU 108 H LEU 108 -11.432 0.276 7.268 825 HA LEU 108 HA LEU 108 -11.292 2.987 6.333 826 1HB LEU 108 1HB LEU 108 -9.749 0.452 6.057 827 2HB LEU 108 2HB LEU 108 -9.472 1.609 4.807 828 HG LEU 108 HG LEU 108 -9.302 2.238 7.762 829 1HD1 LEU 108 1HD1 LEU 108 -6.833 2.049 7.503 830 2HD1 LEU 108 2HD1 LEU 108 -7.650 0.522 7.149 831 3HD1 LEU 108 3HD1 LEU 108 -7.088 1.517 5.815 832 1HD2 LEU 108 1HD2 LEU 108 -7.983 3.827 5.560 833 2HD2 LEU 108 2HD2 LEU 108 -9.550 4.251 6.275 834 3HD2 LEU 108 3HD2 LEU 108 -8.098 4.205 7.279 835 H LYS 109 H LYS 109 -11.871 3.841 4.394 836 HA LYS 109 HA LYS 109 -12.490 2.164 2.103 837 1HB LYS 109 1HB LYS 109 -14.596 3.224 1.565 838 2HB LYS 109 2HB LYS 109 -14.718 2.344 3.063 839 1HG LYS 109 1HG LYS 109 -14.190 5.307 3.179 840 2HG LYS 109 2HG LYS 109 -15.797 4.762 2.735 841 1HD LYS 109 1HD LYS 109 -14.398 3.848 5.261 842 2HD LYS 109 2HD LYS 109 -15.430 5.279 5.191 843 1HE LYS 109 1HE LYS 109 -17.356 3.943 4.563 844 2HE LYS 109 2HE LYS 109 -16.365 2.485 4.412 845 1HZ LYS 109 1HZ LYS 109 -16.674 3.962 6.958 846 2HZ LYS 109 2HZ LYS 109 -17.581 2.657 6.571 847 3HZ LYS 109 3HZ LYS 109 -15.952 2.523 6.757 848 H ASP 110 H ASP 110 -12.791 3.631 0.138 849 HA ASP 110 HA ASP 110 -11.196 6.126 0.356 850 1HB ASP 110 1HB ASP 110 -10.660 4.910 -1.649 851 2HB ASP 110 2HB ASP 110 -12.368 4.753 -2.086 852 H SER 111 H SER 111 -12.644 7.327 1.639 853 HA SER 111 HA SER 111 -14.775 8.328 -0.151 854 1HB SER 111 1HB SER 111 -16.066 8.946 1.885 855 2HB SER 111 2HB SER 111 -15.924 7.215 1.530 856 HG SER 111 HG SER 111 -15.700 7.489 3.621 857 H ASP 112 H ASP 112 -12.358 9.298 -0.689 858 HA ASP 112 HA ASP 112 -12.505 12.068 0.411 859 1HB ASP 112 1HB ASP 112 -10.910 10.774 1.816 860 2HB ASP 112 2HB ASP 112 -10.000 10.395 0.364 861 H TYR 113 H TYR 113 -13.528 12.257 -1.759 862 HA TYR 113 HA TYR 113 -11.609 13.128 -3.754 863 1HB TYR 113 1HB TYR 113 -11.728 10.671 -4.211 864 2HB TYR 113 2HB TYR 113 -13.475 10.774 -4.316 865 HD1 TYR 113 1HD TYR 113 -10.325 11.225 -6.060 866 HD2 TYR 113 2HD TYR 113 -14.540 12.092 -6.204 867 HE1 TYR 113 1HE TYR 113 -10.144 11.714 -8.502 868 HE2 TYR 113 2HE TYR 113 -14.382 12.589 -8.620 869 HH TYR 113 HH TYR 113 -12.951 12.451 -10.545 870 H GLU 114 H GLU 114 -12.634 14.895 -4.725 871 HA GLU 114 HA GLU 114 -14.954 14.682 -6.185 872 1HB GLU 114 1HB GLU 114 -15.590 15.557 -3.448 873 2HB GLU 114 2HB GLU 114 -16.171 16.684 -4.628 874 1HG GLU 114 1HG GLU 114 -16.766 13.749 -5.022 875 2HG GLU 114 2HG GLU 114 -17.748 14.789 -3.992 876 H VAL 115 H VAL 115 -13.365 15.505 -7.517 877 HA VAL 115 HA VAL 115 -12.252 17.078 -8.754 878 HB VAL 115 HB VAL 115 -14.383 18.901 -7.562 879 1HG1 VAL 115 1HG1 VAL 115 -12.979 19.099 -10.241 880 2HG1 VAL 115 2HG1 VAL 115 -14.339 20.094 -9.692 881 3HG1 VAL 115 3HG1 VAL 115 -12.810 20.245 -8.858 882 1HG2 VAL 115 1HG2 VAL 115 -15.757 18.270 -9.532 883 2HG2 VAL 115 2HG2 VAL 115 -14.529 17.083 -10.015 884 3HG2 VAL 115 3HG2 VAL 115 -15.451 16.886 -8.510 885 H HIS 116 H HIS 116 -10.943 19.428 -8.563 886 HA HIS 116 HA HIS 116 -10.755 20.502 -6.045 887 1HB HIS 116 1HB HIS 116 -8.985 18.248 -6.121 888 2HB HIS 116 2HB HIS 116 -7.949 19.629 -6.269 889 HD1 HIS 116 1HD HIS 116 -7.001 19.365 -3.725 890 HD2 HIS 116 2HD HIS 116 -11.215 19.713 -4.098 891 HE1 HIS 116 1HE HIS 116 -7.924 19.850 -1.404 892 HE2 HIS 116 2HE HIS 116 -10.487 20.074 -1.644 893 H ASP 117 H ASP 117 -10.457 22.587 -6.419 894 HA ASP 117 HA ASP 117 -8.413 23.450 -8.413 895 1HB ASP 117 1HB ASP 117 -9.526 25.373 -8.744 896 2HB ASP 117 2HB ASP 117 -10.907 24.328 -8.404 897 H HIS 118 H HIS 118 -7.426 25.702 -7.524 898 HA HIS 118 HA HIS 118 -7.376 26.304 -4.866 899 1HB HIS 118 1HB HIS 118 -5.763 24.295 -4.586 900 2HB HIS 118 2HB HIS 118 -4.617 25.183 -5.556 901 HD1 HIS 118 1HD HIS 118 -6.798 26.747 -2.647 902 HD2 HIS 118 2HD HIS 118 -2.795 25.921 -3.798 903 HE1 HIS 118 1HE HIS 118 -5.300 27.631 -0.795 904 HE2 HIS 118 2HE HIS 118 -2.915 27.204 -1.456 905 H HIS 119 H HIS 119 -5.197 26.241 -7.690 906 HA HIS 119 HA HIS 119 -4.957 29.204 -7.718 907 1HB HIS 119 1HB HIS 119 -3.516 28.745 -9.731 908 2HB HIS 119 2HB HIS 119 -2.881 28.083 -8.235 909 HD1 HIS 119 1HD HIS 119 -1.937 25.656 -8.609 910 HD2 HIS 119 2HD HIS 119 -5.183 26.661 -11.154 911 HE1 HIS 119 1HE HIS 119 -2.497 23.569 -9.993 912 HE2 HIS 119 2HE HIS 119 -4.445 24.229 -11.564 913 H HIS 120 H HIS 120 -5.523 30.123 -9.955 914 HA HIS 120 HA HIS 120 -7.488 28.526 -11.513 915 1HB HIS 120 1HB HIS 120 -7.624 31.418 -10.638 916 2HB HIS 120 2HB HIS 120 -8.094 31.056 -12.286 917 HD1 HIS 120 1HD HIS 120 -10.626 31.858 -11.521 918 HD2 HIS 120 2HD HIS 120 -9.104 28.276 -9.839 919 HE1 HIS 120 1HE HIS 120 -12.609 30.539 -10.587 920 HE2 HIS 120 2HE HIS 120 -11.661 28.375 -9.557 921 H HIS 121 H HIS 121 -7.392 29.624 -13.925 922 HA HIS 121 HA HIS 121 -4.810 30.590 -14.722 923 1HB HIS 121 1HB HIS 121 -4.296 28.150 -14.536 924 2HB HIS 121 2HB HIS 121 -5.746 27.773 -15.465 925 HD1 HIS 121 1HD HIS 121 -2.351 29.661 -16.138 926 HD2 HIS 121 2HD HIS 121 -5.529 27.543 -18.010 927 HE1 HIS 121 1HE HIS 121 -1.950 29.748 -18.680 928 HE2 HIS 121 2HE HIS 121 -3.913 28.551 -19.783 929 H GLU 122 H GLU 122 -4.935 30.970 -17.130 930 HA GLU 122 HA GLU 122 -5.834 31.657 -19.024 931 1HB GLU 122 1HB GLU 122 -7.111 29.223 -18.542 932 2HB GLU 122 2HB GLU 122 -8.464 30.293 -18.776 933 1HG GLU 122 1HG GLU 122 -8.040 29.522 -20.929 934 2HG GLU 122 2HG GLU 122 -7.189 31.072 -20.947 935 H HIS 123 H HIS 123 -8.136 32.589 -19.933 936 HA HIS 123 HA HIS 123 -9.534 34.361 -19.981 937 1HB HIS 123 1HB HIS 123 -9.763 34.022 -16.952 938 2HB HIS 123 2HB HIS 123 -10.676 35.150 -17.902 939 HD1 HIS 123 1HD HIS 123 -13.027 34.431 -18.017 940 HD2 HIS 123 2HD HIS 123 -10.268 31.256 -18.316 941 HE1 HIS 123 1HE HIS 123 -14.409 32.266 -18.413 942 HE2 HIS 123 2HE HIS 123 -12.692 30.347 -18.639 943 H HIS 124 H HIS 124 -9.797 36.666 -18.694 944 HA HIS 124 HA HIS 124 -7.431 37.484 -17.358 945 1HB HIS 124 1HB HIS 124 -9.280 39.277 -19.030 946 2HB HIS 124 2HB HIS 124 -8.304 39.854 -17.689 947 HD1 HIS 124 1HD HIS 124 -5.545 39.392 -18.012 948 HD2 HIS 124 2HD HIS 124 -8.077 39.334 -21.387 949 HE1 HIS 124 1HE HIS 124 -4.018 39.745 -20.083 950 HE2 HIS 124 2HE HIS 124 -5.583 39.695 -22.137 Start of MODEL 6 1 1H MET 1 1H MET 1 -4.748 -9.528 -2.491 2 HA MET 1 HA MET 1 -3.941 -7.625 -4.587 3 1HB MET 1 1HB MET 1 -4.871 -5.816 -3.409 4 2HB MET 1 2HB MET 1 -6.101 -7.063 -3.653 5 1HG MET 1 1HG MET 1 -4.766 -7.290 -1.084 6 2HG MET 1 2HG MET 1 -5.520 -5.734 -1.347 7 1HE MET 1 1HE MET 1 -8.154 -6.509 -3.218 8 2HE MET 1 2HE MET 1 -9.283 -6.552 -1.860 9 3HE MET 1 3HE MET 1 -8.002 -5.320 -1.905 10 H ILE 2 H ILE 2 -2.380 -5.992 -3.964 11 HA ILE 2 HA ILE 2 -0.808 -6.587 -1.532 12 HB ILE 2 HB ILE 2 0.245 -5.089 -3.917 13 1HG1 ILE 2 1HG1 ILE 2 0.534 -8.092 -3.448 14 2HG1 ILE 2 2HG1 ILE 2 -0.225 -7.293 -4.836 15 1HG2 ILE 2 1HG2 ILE 2 2.369 -5.303 -2.964 16 2HG2 ILE 2 2HG2 ILE 2 1.323 -4.899 -1.610 17 3HG2 ILE 2 3HG2 ILE 2 1.845 -6.555 -1.817 18 1HD1 ILE 2 1HD1 ILE 2 1.927 -7.998 -5.580 19 2HD1 ILE 2 2HD1 ILE 2 1.976 -6.243 -5.375 20 3HD1 ILE 2 3HD1 ILE 2 2.719 -7.309 -4.160 21 H ILE 3 H ILE 3 -0.430 -4.632 -0.346 22 HA ILE 3 HA ILE 3 -2.292 -2.368 -0.806 23 HB ILE 3 HB ILE 3 -1.636 -4.048 1.648 24 1HG1 ILE 3 1HG1 ILE 3 -4.410 -3.490 0.610 25 2HG1 ILE 3 2HG1 ILE 3 -3.420 -4.691 -0.185 26 1HG2 ILE 3 1HG2 ILE 3 -3.178 -1.449 1.412 27 2HG2 ILE 3 2HG2 ILE 3 -3.296 -2.528 2.830 28 3HG2 ILE 3 3HG2 ILE 3 -1.763 -1.764 2.429 29 1HD1 ILE 3 1HD1 ILE 3 -3.163 -5.894 1.995 30 2HD1 ILE 3 2HD1 ILE 3 -4.166 -4.656 2.785 31 3HD1 ILE 3 3HD1 ILE 3 -4.878 -5.699 1.545 32 H ALA 4 H ALA 4 -0.909 -0.744 -1.242 33 HA ALA 4 HA ALA 4 1.785 -0.646 0.071 34 1HB ALA 4 1HB ALA 4 2.328 0.551 -1.732 35 2HB ALA 4 2HB ALA 4 0.628 0.839 -2.179 36 3HB ALA 4 3HB ALA 4 1.470 1.896 -1.018 37 H ILE 5 H ILE 5 2.323 0.505 1.827 38 HA ILE 5 HA ILE 5 0.508 2.674 2.687 39 HB ILE 5 HB ILE 5 1.775 0.639 4.551 40 1HG1 ILE 5 1HG1 ILE 5 -1.094 1.443 3.968 41 2HG1 ILE 5 2HG1 ILE 5 -0.352 -0.056 3.414 42 1HG2 ILE 5 1HG2 ILE 5 1.931 2.985 5.447 43 2HG2 ILE 5 2HG2 ILE 5 0.195 3.198 5.132 44 3HG2 ILE 5 3HG2 ILE 5 0.764 2.055 6.363 45 1HD1 ILE 5 1HD1 ILE 5 -1.785 -0.511 5.277 46 2HD1 ILE 5 2HD1 ILE 5 -0.093 -0.823 5.705 47 3HD1 ILE 5 3HD1 ILE 5 -0.922 0.633 6.314 48 HA PRO 6 HA PRO 6 4.692 4.485 2.342 49 1HB PRO 6 1HB PRO 6 3.944 7.070 2.777 50 2HB PRO 6 2HB PRO 6 3.721 6.274 1.198 51 1HG PRO 6 1HG PRO 6 1.698 6.778 3.376 52 2HG PRO 6 2HG PRO 6 1.492 6.944 1.602 53 1HD PRO 6 1HD PRO 6 0.703 4.754 3.113 54 2HD PRO 6 2HD PRO 6 1.107 4.644 1.373 55 H VAL 7 H VAL 7 5.968 4.211 4.210 56 HA VAL 7 HA VAL 7 4.745 5.053 6.797 57 HB VAL 7 HB VAL 7 6.200 3.359 7.886 58 1HG1 VAL 7 1HG1 VAL 7 4.119 2.164 6.032 59 2HG1 VAL 7 2HG1 VAL 7 4.674 1.610 7.634 60 3HG1 VAL 7 3HG1 VAL 7 3.771 3.094 7.526 61 1HG2 VAL 7 1HG2 VAL 7 6.890 1.361 6.580 62 2HG2 VAL 7 2HG2 VAL 7 6.515 2.211 5.070 63 3HG2 VAL 7 3HG2 VAL 7 7.797 2.812 6.160 64 H SER 8 H SER 8 6.015 6.066 8.290 65 HA SER 8 HA SER 8 7.890 7.869 7.128 66 1HB SER 8 1HB SER 8 7.572 7.377 10.106 67 2HB SER 8 2HB SER 8 7.966 8.875 9.266 68 HG SER 8 HG SER 8 5.777 8.893 9.880 69 H GLU 9 H GLU 9 8.261 4.775 8.876 70 HA GLU 9 HA GLU 9 11.096 4.727 8.305 71 1HB GLU 9 1HB GLU 9 9.891 4.501 11.097 72 2HB GLU 9 2HB GLU 9 11.450 3.793 10.695 73 1HG GLU 9 1HG GLU 9 10.790 6.731 10.360 74 2HG GLU 9 2HG GLU 9 11.472 6.080 11.782 75 H ASN 10 H ASN 10 11.786 2.435 8.557 76 HA ASN 10 HA ASN 10 9.537 0.604 7.864 77 1HB ASN 10 1HB ASN 10 11.260 0.652 6.201 78 2HB ASN 10 2HB ASN 10 12.533 0.415 7.397 79 1HD2 ASN 10 1HD2 ASN 10 12.299 -1.290 5.150 80 2HD2 ASN 10 2HD2 ASN 10 11.839 -2.849 5.752 81 H ARG 11 H ARG 11 8.698 -0.199 9.668 82 HA ARG 11 HA ARG 11 10.585 -1.336 11.653 83 1HB ARG 11 1HB ARG 11 8.133 0.353 12.284 84 2HB ARG 11 2HB ARG 11 9.122 -0.494 13.442 85 1HG ARG 11 1HG ARG 11 11.074 0.953 12.685 86 2HG ARG 11 2HG ARG 11 9.912 1.985 11.826 87 1HD ARG 11 1HD ARG 11 8.751 2.540 13.815 88 2HD ARG 11 2HD ARG 11 9.428 1.206 14.729 89 HE ARG 11 HE ARG 11 10.822 3.720 13.972 90 1HH1 ARG 11 2HH2 ARG 11 10.774 0.788 16.053 91 2HH1 ARG 11 1HH2 ARG 11 11.886 1.455 17.175 92 1HH2 ARG 11 2HH1 ARG 11 12.130 4.593 15.528 93 2HH2 ARG 11 1HH1 ARG 11 12.597 3.687 16.955 94 H GLY 12 H GLY 12 9.251 -2.622 9.462 95 1HA GLY 12 1HA GLY 12 8.180 -4.539 8.965 96 2HA GLY 12 2HA GLY 12 8.357 -5.015 10.684 97 H LYS 13 H LYS 13 6.674 -3.986 12.121 98 HA LYS 13 HA LYS 13 3.951 -4.263 10.865 99 1HB LYS 13 1HB LYS 13 4.829 -5.154 13.673 100 2HB LYS 13 2HB LYS 13 3.179 -5.112 13.124 101 1HG LYS 13 1HG LYS 13 3.492 -6.787 11.495 102 2HG LYS 13 2HG LYS 13 5.262 -6.757 11.686 103 1HD LYS 13 1HD LYS 13 3.380 -7.654 13.883 104 2HD LYS 13 2HD LYS 13 4.030 -8.733 12.634 105 1HE LYS 13 1HE LYS 13 6.359 -7.921 13.218 106 2HE LYS 13 2HE LYS 13 5.651 -7.050 14.593 107 1HZ LYS 13 1HZ LYS 13 4.881 -9.137 15.494 108 2HZ LYS 13 2HZ LYS 13 5.393 -10.012 14.221 109 3HZ LYS 13 3HZ LYS 13 6.474 -9.294 15.214 110 H ASP 14 H ASP 14 5.736 -3.126 13.672 111 HA ASP 14 HA ASP 14 4.223 -1.081 14.628 112 1HB ASP 14 1HB ASP 14 7.251 -1.087 14.642 113 2HB ASP 14 2HB ASP 14 6.172 -0.471 15.880 114 H SER 15 H SER 15 5.632 -0.971 11.558 115 HA SER 15 HA SER 15 6.787 1.451 10.945 116 1HB SER 15 1HB SER 15 4.770 -0.002 9.305 117 2HB SER 15 2HB SER 15 6.175 0.994 8.790 118 HG SER 15 HG SER 15 6.301 -1.403 8.803 119 HA PRO 16 HA PRO 16 3.145 4.067 11.931 120 1HB PRO 16 1HB PRO 16 4.385 6.489 12.068 121 2HB PRO 16 2HB PRO 16 4.498 5.267 13.370 122 1HG PRO 16 1HG PRO 16 6.476 5.754 11.107 123 2HG PRO 16 2HG PRO 16 6.835 5.678 12.850 124 1HD PRO 16 1HD PRO 16 7.169 3.511 11.263 125 2HD PRO 16 2HD PRO 16 6.493 3.334 12.911 126 H ILE 17 H ILE 17 1.745 4.948 10.394 127 HA ILE 17 HA ILE 17 2.542 5.092 7.688 128 HB ILE 17 HB ILE 17 0.270 4.541 8.549 129 1HG1 ILE 17 1HG1 ILE 17 0.193 6.828 6.563 130 2HG1 ILE 17 2HG1 ILE 17 0.785 5.225 6.164 131 1HG2 ILE 17 1HG2 ILE 17 -1.274 6.202 9.217 132 2HG2 ILE 17 2HG2 ILE 17 0.149 6.409 10.245 133 3HG2 ILE 17 3HG2 ILE 17 -0.104 7.513 8.896 134 1HD1 ILE 17 1HD1 ILE 17 -1.443 4.270 6.777 135 2HD1 ILE 17 2HD1 ILE 17 -2.043 5.925 7.054 136 3HD1 ILE 17 3HD1 ILE 17 -1.508 5.427 5.435 137 H SER 18 H SER 18 3.118 6.693 6.361 138 HA SER 18 HA SER 18 4.101 9.279 7.289 139 1HB SER 18 1HB SER 18 5.098 7.828 5.429 140 2HB SER 18 2HB SER 18 3.611 8.185 4.517 141 HG SER 18 HG SER 18 5.709 9.919 5.245 142 H GLU 19 H GLU 19 3.333 11.279 5.984 143 HA GLU 19 HA GLU 19 0.361 11.203 5.666 144 1HB GLU 19 1HB GLU 19 2.206 13.451 6.440 145 2HB GLU 19 2HB GLU 19 0.506 13.661 6.017 146 1HG GLU 19 1HG GLU 19 -0.143 12.152 7.871 147 2HG GLU 19 2HG GLU 19 1.563 11.995 8.337 148 H HIS 20 H HIS 20 3.392 11.929 3.997 149 HA HIS 20 HA HIS 20 1.831 12.875 1.614 150 1HB HIS 20 1HB HIS 20 4.606 13.676 2.517 151 2HB HIS 20 2HB HIS 20 3.915 14.014 0.928 152 HD1 HIS 20 1HD HIS 20 4.807 16.535 2.434 153 HD2 HIS 20 2HD HIS 20 0.970 14.762 2.759 154 HE1 HIS 20 1HE HIS 20 3.244 18.320 3.330 155 HE2 HIS 20 2HE HIS 20 0.912 17.214 3.611 156 H PHE 21 H PHE 21 1.591 10.736 0.897 157 HA PHE 21 HA PHE 21 3.315 8.716 0.374 158 1HB PHE 21 1HB PHE 21 0.987 8.671 -0.324 159 2HB PHE 21 2HB PHE 21 1.277 9.957 -1.496 160 HD1 PHE 21 1HD PHE 21 2.345 9.543 -3.647 161 HD2 PHE 21 2HD PHE 21 1.714 6.336 -0.817 162 HE1 PHE 21 1HE PHE 21 2.941 7.853 -5.396 163 HE2 PHE 21 2HE PHE 21 2.330 4.693 -2.568 164 HZ PHE 21 HZ PHE 21 2.968 5.464 -4.828 165 H GLY 22 H GLY 22 3.184 11.659 -1.764 166 1HA GLY 22 1HA GLY 22 4.992 10.685 -3.677 167 2HA GLY 22 2HA GLY 22 4.647 12.393 -3.374 168 H ARG 23 H ARG 23 5.805 11.658 -0.462 169 HA ARG 23 HA ARG 23 8.649 11.331 -1.039 170 1HB ARG 23 1HB ARG 23 9.308 13.294 0.234 171 2HB ARG 23 2HB ARG 23 8.441 13.757 -1.219 172 1HG ARG 23 1HG ARG 23 6.877 14.903 -0.081 173 2HG ARG 23 2HG ARG 23 6.564 13.563 1.015 174 1HD ARG 23 1HD ARG 23 7.322 15.409 2.324 175 2HD ARG 23 2HD ARG 23 8.587 14.166 2.335 176 HE ARG 23 HE ARG 23 9.324 15.786 0.241 177 1HH1 ARG 23 2HH2 ARG 23 8.791 16.346 3.707 178 2HH1 ARG 23 1HH2 ARG 23 9.570 17.897 3.699 179 1HH2 ARG 23 2HH1 ARG 23 10.540 17.585 0.282 180 2HH2 ARG 23 1HH1 ARG 23 10.575 18.682 1.621 181 H ALA 24 H ALA 24 7.074 9.468 -0.144 182 HA ALA 24 HA ALA 24 7.418 9.333 2.780 183 1HB ALA 24 1HB ALA 24 6.533 6.999 2.417 184 2HB ALA 24 2HB ALA 24 5.441 8.334 1.952 185 3HB ALA 24 3HB ALA 24 6.284 7.420 0.704 186 HA PRO 25 HA PRO 25 11.477 7.603 1.883 187 1HB PRO 25 1HB PRO 25 12.169 6.624 4.347 188 2HB PRO 25 2HB PRO 25 12.033 8.358 3.973 189 1HG PRO 25 1HG PRO 25 10.040 6.608 5.379 190 2HG PRO 25 2HG PRO 25 10.533 8.283 5.733 191 1HD PRO 25 1HD PRO 25 8.228 7.565 4.332 192 2HD PRO 25 2HD PRO 25 9.059 9.122 4.171 193 H TYR 26 H TYR 26 8.946 5.417 3.033 194 HA TYR 26 HA TYR 26 10.259 3.166 1.654 195 1HB TYR 26 1HB TYR 26 9.047 3.001 4.432 196 2HB TYR 26 2HB TYR 26 9.679 1.656 3.512 197 HD1 TYR 26 1HD TYR 26 10.531 4.613 5.551 198 HD2 TYR 26 2HD TYR 26 12.086 1.180 3.461 199 HE1 TYR 26 1HE TYR 26 12.704 4.906 6.715 200 HE2 TYR 26 2HE TYR 26 14.225 1.415 4.690 201 HH TYR 26 HH TYR 26 15.485 2.724 6.112 202 H PHE 27 H PHE 27 8.653 1.508 1.182 203 HA PHE 27 HA PHE 27 5.785 2.317 1.463 204 1HB PHE 27 1HB PHE 27 7.063 1.181 -1.024 205 2HB PHE 27 2HB PHE 27 5.363 1.127 -0.766 206 HD1 PHE 27 1HD PHE 27 4.526 3.745 0.169 207 HD2 PHE 27 2HD PHE 27 7.751 2.840 -2.538 208 HE1 PHE 27 1HE PHE 27 4.355 5.982 -0.833 209 HE2 PHE 27 2HE PHE 27 7.537 5.059 -3.568 210 HZ PHE 27 HZ PHE 27 5.800 6.653 -2.733 211 H ALA 28 H ALA 28 5.059 0.887 2.912 212 HA ALA 28 HA ALA 28 6.013 -1.915 3.112 213 1HB ALA 28 1HB ALA 28 5.449 -0.710 5.201 214 2HB ALA 28 2HB ALA 28 3.861 -0.280 4.557 215 3HB ALA 28 3HB ALA 28 4.241 -1.976 4.884 216 H PHE 29 H PHE 29 5.458 -2.575 0.973 217 HA PHE 29 HA PHE 29 2.628 -2.614 0.173 218 1HB PHE 29 1HB PHE 29 5.228 -3.227 -1.067 219 2HB PHE 29 2HB PHE 29 3.979 -4.398 -1.446 220 HD1 PHE 29 1HD PHE 29 1.464 -2.765 -1.717 221 HD2 PHE 29 2HD PHE 29 5.498 -1.928 -3.035 222 HE1 PHE 29 1HE PHE 29 0.588 -1.147 -3.359 223 HE2 PHE 29 2HE PHE 29 4.537 -0.647 -4.940 224 HZ PHE 29 HZ PHE 29 2.093 -0.146 -5.021 225 H VAL 30 H VAL 30 1.506 -3.732 1.615 226 HA VAL 30 HA VAL 30 2.489 -6.276 2.749 227 HB VAL 30 HB VAL 30 -0.193 -4.848 3.193 228 1HG1 VAL 30 1HG1 VAL 30 -0.184 -7.067 4.070 229 2HG1 VAL 30 2HG1 VAL 30 1.404 -6.846 4.804 230 3HG1 VAL 30 3HG1 VAL 30 -0.008 -5.974 5.444 231 1HG2 VAL 30 1HG2 VAL 30 2.491 -4.072 4.315 232 2HG2 VAL 30 2HG2 VAL 30 1.147 -3.067 3.771 233 3HG2 VAL 30 3HG2 VAL 30 1.036 -3.909 5.316 234 H LYS 31 H LYS 31 1.471 -8.294 2.268 235 HA LYS 31 HA LYS 31 0.026 -8.196 -0.333 236 1HB LYS 31 1HB LYS 31 1.498 -10.400 1.146 237 2HB LYS 31 2HB LYS 31 0.671 -10.592 -0.422 238 1HG LYS 31 1HG LYS 31 2.187 -8.537 -1.108 239 2HG LYS 31 2HG LYS 31 3.100 -8.923 0.313 240 1HD LYS 31 1HD LYS 31 4.180 -9.940 -1.561 241 2HD LYS 31 2HD LYS 31 3.490 -11.250 -0.592 242 1HE LYS 31 1HE LYS 31 1.671 -11.575 -2.140 243 2HE LYS 31 2HE LYS 31 2.026 -10.048 -2.967 244 1HZ LYS 31 1HZ LYS 31 3.831 -12.397 -3.018 245 2HZ LYS 31 2HZ LYS 31 2.788 -11.943 -4.203 246 3HZ LYS 31 3HZ LYS 31 4.026 -10.944 -3.800 247 H VAL 32 H VAL 32 -1.491 -10.432 -0.327 248 HA VAL 32 HA VAL 32 -2.920 -10.665 2.180 249 HB VAL 32 HB VAL 32 -4.352 -9.899 -0.435 250 1HG1 VAL 32 1HG1 VAL 32 -6.481 -10.049 0.782 251 2HG1 VAL 32 2HG1 VAL 32 -5.696 -11.616 0.685 252 3HG1 VAL 32 3HG1 VAL 32 -5.636 -10.695 2.213 253 1HG2 VAL 32 1HG2 VAL 32 -5.351 -8.042 0.901 254 2HG2 VAL 32 2HG2 VAL 32 -4.258 -8.456 2.245 255 3HG2 VAL 32 3HG2 VAL 32 -3.611 -7.896 0.683 256 H LYS 33 H LYS 33 -3.440 -12.722 2.491 257 HA LYS 33 HA LYS 33 -3.681 -14.641 0.207 258 1HB LYS 33 1HB LYS 33 -1.491 -15.044 1.260 259 2HB LYS 33 2HB LYS 33 -2.211 -15.050 2.846 260 1HG LYS 33 1HG LYS 33 -3.608 -17.069 1.361 261 2HG LYS 33 2HG LYS 33 -1.922 -17.186 0.860 262 1HD LYS 33 1HD LYS 33 -2.183 -18.623 2.715 263 2HD LYS 33 2HD LYS 33 -1.281 -17.237 3.336 264 1HE LYS 33 1HE LYS 33 -3.338 -16.319 4.341 265 2HE LYS 33 2HE LYS 33 -4.320 -17.523 3.519 266 1HZ LYS 33 1HZ LYS 33 -3.036 -19.229 4.832 267 2HZ LYS 33 2HZ LYS 33 -2.398 -18.028 5.738 268 3HZ LYS 33 3HZ LYS 33 -4.016 -18.288 5.715 269 H ASN 34 H ASN 34 -5.785 -15.357 0.343 270 HA ASN 34 HA ASN 34 -7.867 -15.775 1.211 271 1HB ASN 34 1HB ASN 34 -6.193 -17.503 3.024 272 2HB ASN 34 2HB ASN 34 -7.894 -17.693 2.685 273 1HD2 ASN 34 1HD2 ASN 34 -5.262 -19.311 2.012 274 2HD2 ASN 34 2HD2 ASN 34 -5.336 -19.566 0.294 275 H ASN 35 H ASN 35 -7.710 -13.400 2.065 276 HA ASN 35 HA ASN 35 -7.709 -11.787 3.669 277 1HB ASN 35 1HB ASN 35 -9.760 -13.633 4.729 278 2HB ASN 35 2HB ASN 35 -9.404 -12.064 5.477 279 1HD2 ASN 35 1HD2 ASN 35 -11.976 -12.634 4.556 280 2HD2 ASN 35 2HD2 ASN 35 -12.308 -11.449 3.337 281 H ALA 36 H ALA 36 -5.406 -12.895 4.055 282 HA ALA 36 HA ALA 36 -5.091 -12.077 6.838 283 1HB ALA 36 1HB ALA 36 -3.288 -13.707 7.213 284 2HB ALA 36 2HB ALA 36 -4.785 -14.586 6.862 285 3HB ALA 36 3HB ALA 36 -3.540 -14.421 5.608 286 H ILE 37 H ILE 37 -2.628 -11.424 7.061 287 HA ILE 37 HA ILE 37 -1.990 -9.498 5.103 288 HB ILE 37 HB ILE 37 -0.747 -10.644 7.591 289 1HG1 ILE 37 1HG1 ILE 37 -0.687 -8.273 8.274 290 2HG1 ILE 37 2HG1 ILE 37 -1.288 -7.804 6.686 291 1HG2 ILE 37 1HG2 ILE 37 1.297 -10.530 6.308 292 2HG2 ILE 37 2HG2 ILE 37 0.903 -8.888 5.769 293 3HG2 ILE 37 3HG2 ILE 37 1.255 -9.217 7.475 294 1HD1 ILE 37 1HD1 ILE 37 -2.809 -9.569 8.660 295 2HD1 ILE 37 2HD1 ILE 37 -3.011 -7.819 8.518 296 3HD1 ILE 37 3HD1 ILE 37 -3.449 -8.860 7.152 297 H ALA 38 H ALA 38 -1.359 -12.806 4.914 298 HA ALA 38 HA ALA 38 0.115 -14.209 3.915 299 1HB ALA 38 1HB ALA 38 0.752 -13.723 1.622 300 2HB ALA 38 2HB ALA 38 -0.895 -13.110 1.916 301 3HB ALA 38 3HB ALA 38 0.428 -12.002 1.867 302 H ASP 39 H ASP 39 1.644 -10.957 3.592 303 HA ASP 39 HA ASP 39 4.242 -11.699 4.601 304 1HB ASP 39 1HB ASP 39 3.938 -12.869 2.284 305 2HB ASP 39 2HB ASP 39 3.898 -11.256 1.609 306 H ILE 40 H ILE 40 5.753 -9.803 4.107 307 HA ILE 40 HA ILE 40 4.349 -7.201 3.690 308 HB ILE 40 HB ILE 40 5.819 -8.263 6.113 309 1HG1 ILE 40 1HG1 ILE 40 3.154 -7.986 5.731 310 2HG1 ILE 40 2HG1 ILE 40 3.939 -8.007 7.263 311 1HG2 ILE 40 1HG2 ILE 40 6.091 -5.999 7.024 312 2HG2 ILE 40 2HG2 ILE 40 7.076 -6.293 5.610 313 3HG2 ILE 40 3HG2 ILE 40 5.601 -5.315 5.450 314 1HD1 ILE 40 1HD1 ILE 40 2.249 -6.181 7.109 315 2HD1 ILE 40 2HD1 ILE 40 3.848 -5.487 7.376 316 3HD1 ILE 40 3HD1 ILE 40 3.169 -5.488 5.754 317 H SER 41 H SER 41 5.523 -6.027 2.244 318 HA SER 41 HA SER 41 8.464 -6.374 2.007 319 1HB SER 41 1HB SER 41 6.223 -6.126 -0.007 320 2HB SER 41 2HB SER 41 7.758 -5.382 -0.401 321 HG SER 41 HG SER 41 8.754 -7.427 -0.132 322 H VAL 42 H VAL 42 8.877 -4.702 3.539 323 HA VAL 42 HA VAL 42 7.905 -1.987 2.881 324 HB VAL 42 HB VAL 42 9.571 -2.779 5.214 325 1HG1 VAL 42 1HG1 VAL 42 9.431 -0.378 4.843 326 2HG1 VAL 42 2HG1 VAL 42 7.661 -0.466 4.785 327 3HG1 VAL 42 3HG1 VAL 42 8.520 -0.815 6.302 328 1HG2 VAL 42 1HG2 VAL 42 7.591 -2.901 6.645 329 2HG2 VAL 42 2HG2 VAL 42 6.586 -2.958 5.166 330 3HG2 VAL 42 3HG2 VAL 42 7.790 -4.220 5.523 331 H GLU 43 H GLU 43 8.925 -1.898 0.927 332 HA GLU 43 HA GLU 43 11.828 -2.270 0.726 333 1HB GLU 43 1HB GLU 43 9.916 -0.923 -1.229 334 2HB GLU 43 2HB GLU 43 11.505 -1.562 -1.590 335 1HG GLU 43 1HG GLU 43 9.045 -3.213 -0.822 336 2HG GLU 43 2HG GLU 43 9.633 -2.954 -2.453 337 H GLU 44 H GLU 44 13.396 -0.519 0.648 338 HA GLU 44 HA GLU 44 12.689 2.122 1.435 339 1HB GLU 44 1HB GLU 44 15.012 1.214 -0.346 340 2HB GLU 44 2HB GLU 44 14.890 2.720 0.571 341 1HG GLU 44 1HG GLU 44 16.065 1.656 2.148 342 2HG GLU 44 2HG GLU 44 14.549 0.900 2.591 343 H ASN 45 H ASN 45 12.449 4.005 0.187 344 HA ASN 45 HA ASN 45 11.304 3.608 -2.534 345 1HB ASN 45 1HB ASN 45 9.975 4.848 -0.943 346 2HB ASN 45 2HB ASN 45 11.295 5.946 -0.598 347 1HD2 ASN 45 1HD2 ASN 45 9.418 7.443 -1.182 348 2HD2 ASN 45 2HD2 ASN 45 9.406 7.983 -2.870 349 HA PRO 46 HA PRO 46 15.524 5.013 -3.586 350 1HB PRO 46 1HB PRO 46 15.503 4.572 -6.285 351 2HB PRO 46 2HB PRO 46 15.677 3.267 -5.077 352 1HG PRO 46 1HG PRO 46 13.143 4.165 -6.480 353 2HG PRO 46 2HG PRO 46 13.767 2.495 -6.300 354 1HD PRO 46 1HD PRO 46 11.875 3.517 -4.635 355 2HD PRO 46 2HD PRO 46 13.142 2.418 -4.020 356 H LEU 47 H LEU 47 12.520 6.418 -4.357 357 HA LEU 47 HA LEU 47 13.823 8.917 -5.368 358 1HB LEU 47 1HB LEU 47 11.156 7.740 -6.004 359 2HB LEU 47 2HB LEU 47 11.623 9.403 -6.389 360 HG LEU 47 HG LEU 47 13.544 7.339 -7.298 361 1HD1 LEU 47 1HD1 LEU 47 12.197 6.715 -9.211 362 2HD1 LEU 47 2HD1 LEU 47 11.532 6.182 -7.644 363 3HD1 LEU 47 3HD1 LEU 47 10.827 7.597 -8.475 364 1HD2 LEU 47 1HD2 LEU 47 13.638 8.758 -9.288 365 2HD2 LEU 47 2HD2 LEU 47 12.227 9.692 -8.729 366 3HD2 LEU 47 3HD2 LEU 47 13.771 9.774 -7.852 367 H ALA 48 H ALA 48 13.506 8.065 -2.511 368 HA ALA 48 HA ALA 48 11.213 9.414 -1.374 369 1HB ALA 48 1HB ALA 48 13.981 8.787 -0.212 370 2HB ALA 48 2HB ALA 48 12.579 9.287 0.733 371 3HB ALA 48 3HB ALA 48 12.546 7.731 -0.134 372 H GLN 49 H GLN 49 14.370 10.546 -2.464 373 HA GLN 49 HA GLN 49 13.497 13.334 -2.255 374 1HB GLN 49 1HB GLN 49 14.550 12.939 -0.069 375 2HB GLN 49 2HB GLN 49 15.962 12.242 -0.851 376 1HG GLN 49 1HG GLN 49 15.742 14.814 -2.003 377 2HG GLN 49 2HG GLN 49 15.328 15.028 -0.301 378 1HE2 GLN 49 1HE2 GLN 49 16.924 14.224 1.336 379 2HE2 GLN 49 2HE2 GLN 49 18.602 14.087 0.900 380 H ASP 50 H ASP 50 13.393 12.827 -4.550 381 HA ASP 50 HA ASP 50 15.747 14.086 -5.596 382 1HB ASP 50 1HB ASP 50 16.266 11.727 -6.183 383 2HB ASP 50 2HB ASP 50 14.803 11.644 -7.141 384 H HIS 51 H HIS 51 13.254 12.550 -7.569 385 HA HIS 51 HA HIS 51 12.573 15.148 -8.630 386 1HB HIS 51 1HB HIS 51 12.327 12.365 -9.455 387 2HB HIS 51 2HB HIS 51 10.960 13.342 -9.942 388 HD1 HIS 51 1HD HIS 51 14.839 13.727 -10.216 389 HD2 HIS 51 2HD HIS 51 11.190 14.415 -12.260 390 HE1 HIS 51 1HE HIS 51 15.452 14.589 -12.556 391 HE2 HIS 51 2HE HIS 51 13.206 15.022 -13.795 392 H VAL 52 H VAL 52 11.070 13.192 -6.206 393 HA VAL 52 HA VAL 52 9.303 13.354 -4.947 394 HB VAL 52 HB VAL 52 8.817 16.137 -5.973 395 1HG1 VAL 52 1HG1 VAL 52 7.262 15.271 -4.205 396 2HG1 VAL 52 2HG1 VAL 52 8.654 14.942 -3.177 397 3HG1 VAL 52 3HG1 VAL 52 8.245 16.610 -3.615 398 1HG2 VAL 52 1HG2 VAL 52 11.098 15.302 -4.168 399 2HG2 VAL 52 2HG2 VAL 52 11.183 16.210 -5.685 400 3HG2 VAL 52 3HG2 VAL 52 10.470 16.959 -4.270 401 H HIS 53 H HIS 53 8.589 13.909 -8.345 402 HA HIS 53 HA HIS 53 6.410 12.040 -8.081 403 1HB HIS 53 1HB HIS 53 5.939 14.843 -9.196 404 2HB HIS 53 2HB HIS 53 4.984 13.477 -9.715 405 HD1 HIS 53 1HD HIS 53 4.002 16.159 -7.962 406 HD2 HIS 53 2HD HIS 53 4.659 12.199 -6.623 407 HE1 HIS 53 1HE HIS 53 2.740 15.903 -5.755 408 HE2 HIS 53 2HE HIS 53 3.126 13.571 -4.915 409 H GLY 54 H GLY 54 5.826 11.366 -10.447 410 1HA GLY 54 1HA GLY 54 6.519 11.490 -12.792 411 2HA GLY 54 2HA GLY 54 8.180 11.764 -12.279 412 H ALA 55 H ALA 55 9.378 10.014 -11.306 413 HA ALA 55 HA ALA 55 8.568 7.370 -12.191 414 1HB ALA 55 1HB ALA 55 11.060 8.373 -10.797 415 2HB ALA 55 2HB ALA 55 10.829 6.735 -11.443 416 3HB ALA 55 3HB ALA 55 10.846 8.112 -12.550 417 H VAL 56 H VAL 56 8.596 9.053 -9.041 418 HA VAL 56 HA VAL 56 8.835 6.956 -7.287 419 HB VAL 56 HB VAL 56 7.112 9.426 -7.286 420 1HG1 VAL 56 1HG1 VAL 56 6.258 8.979 -4.975 421 2HG1 VAL 56 2HG1 VAL 56 5.474 8.022 -6.237 422 3HG1 VAL 56 3HG1 VAL 56 6.705 7.276 -5.196 423 1HG2 VAL 56 1HG2 VAL 56 8.384 10.012 -5.296 424 2HG2 VAL 56 2HG2 VAL 56 9.148 8.416 -5.284 425 3HG2 VAL 56 3HG2 VAL 56 9.446 9.554 -6.629 426 HA PRO 57 HA PRO 57 4.415 5.227 -8.041 427 1HB PRO 57 1HB PRO 57 2.991 5.973 -10.232 428 2HB PRO 57 2HB PRO 57 2.847 6.836 -8.662 429 1HG PRO 57 1HG PRO 57 4.243 7.646 -11.179 430 2HG PRO 57 2HG PRO 57 3.485 8.659 -9.915 431 1HD PRO 57 1HD PRO 57 6.220 7.988 -10.260 432 2HD PRO 57 2HD PRO 57 5.596 8.844 -8.857 433 H ASN 58 H ASN 58 6.454 6.023 -10.865 434 HA ASN 58 HA ASN 58 5.685 3.867 -12.576 435 1HB ASN 58 1HB ASN 58 7.110 5.823 -13.269 436 2HB ASN 58 2HB ASN 58 8.423 5.161 -12.276 437 1HD2 ASN 58 1HD2 ASN 58 6.396 4.444 -15.182 438 2HD2 ASN 58 2HD2 ASN 58 7.629 3.426 -15.867 439 H PHE 59 H PHE 59 8.074 4.123 -9.927 440 HA PHE 59 HA PHE 59 8.894 1.394 -9.858 441 1HB PHE 59 1HB PHE 59 10.118 2.978 -8.587 442 2HB PHE 59 2HB PHE 59 8.697 3.613 -7.799 443 HD1 PHE 59 1HD PHE 59 10.578 0.347 -8.142 444 HD2 PHE 59 2HD PHE 59 8.250 2.965 -5.599 445 HE1 PHE 59 1HE PHE 59 10.893 -1.207 -6.246 446 HE2 PHE 59 2HE PHE 59 8.520 1.320 -3.737 447 HZ PHE 59 HZ PHE 59 9.834 -0.728 -4.044 448 H VAL 60 H VAL 60 6.408 2.829 -7.541 449 HA VAL 60 HA VAL 60 5.667 0.195 -6.823 450 HB VAL 60 HB VAL 60 3.549 1.318 -5.925 451 1HG1 VAL 60 1HG1 VAL 60 4.685 2.288 -4.025 452 2HG1 VAL 60 2HG1 VAL 60 5.758 0.988 -4.564 453 3HG1 VAL 60 3HG1 VAL 60 6.125 2.669 -4.983 454 1HG2 VAL 60 1HG2 VAL 60 3.323 3.597 -5.806 455 2HG2 VAL 60 2HG2 VAL 60 4.917 3.895 -6.536 456 3HG2 VAL 60 3HG2 VAL 60 3.562 3.221 -7.513 457 H LYS 61 H LYS 61 4.730 1.728 -9.720 458 HA LYS 61 HA LYS 61 2.400 0.049 -10.222 459 1HB LYS 61 1HB LYS 61 2.932 2.424 -11.165 460 2HB LYS 61 2HB LYS 61 3.964 1.584 -12.315 461 1HG LYS 61 1HG LYS 61 1.397 0.276 -12.265 462 2HG LYS 61 2HG LYS 61 1.079 2.014 -12.252 463 1HD LYS 61 1HD LYS 61 2.693 0.424 -14.279 464 2HD LYS 61 2HD LYS 61 1.041 1.055 -14.472 465 1HE LYS 61 1HE LYS 61 1.928 3.373 -14.300 466 2HE LYS 61 2HE LYS 61 3.570 2.706 -14.166 467 1HZ LYS 61 1HZ LYS 61 3.153 3.289 -16.421 468 2HZ LYS 61 2HZ LYS 61 3.230 1.655 -16.334 469 3HZ LYS 61 3HZ LYS 61 1.778 2.406 -16.512 470 H GLU 62 H GLU 62 5.857 -0.371 -10.613 471 HA GLU 62 HA GLU 62 5.581 -2.720 -12.334 472 1HB GLU 62 1HB GLU 62 7.802 -3.156 -12.064 473 2HB GLU 62 2HB GLU 62 7.747 -1.407 -12.117 474 1HG GLU 62 1HG GLU 62 8.488 -1.211 -9.908 475 2HG GLU 62 2HG GLU 62 7.889 -2.801 -9.431 476 H LYS 63 H LYS 63 5.184 -2.004 -8.932 477 HA LYS 63 HA LYS 63 5.982 -4.662 -8.059 478 1HB LYS 63 1HB LYS 63 4.805 -2.351 -6.480 479 2HB LYS 63 2HB LYS 63 5.599 -3.759 -5.789 480 1HG LYS 63 1HG LYS 63 6.953 -1.662 -7.520 481 2HG LYS 63 2HG LYS 63 7.021 -1.719 -5.775 482 1HD LYS 63 1HD LYS 63 7.996 -4.039 -7.484 483 2HD LYS 63 2HD LYS 63 9.011 -2.650 -7.108 484 1HE LYS 63 1HE LYS 63 9.021 -3.090 -4.787 485 2HE LYS 63 2HE LYS 63 7.601 -4.142 -4.899 486 1HZ LYS 63 1HZ LYS 63 9.610 -5.444 -4.634 487 2HZ LYS 63 2HZ LYS 63 8.922 -5.751 -6.075 488 3HZ LYS 63 3HZ LYS 63 10.253 -4.778 -6.032 489 H GLY 64 H GLY 64 3.763 -4.664 -9.735 490 1HA GLY 64 1HA GLY 64 1.688 -5.727 -10.025 491 2HA GLY 64 2HA GLY 64 2.346 -6.791 -8.781 492 H ALA 65 H ALA 65 1.479 -3.429 -7.985 493 HA ALA 65 HA ALA 65 0.055 -4.417 -5.785 494 1HB ALA 65 1HB ALA 65 0.120 -1.580 -6.865 495 2HB ALA 65 2HB ALA 65 -0.210 -2.089 -5.189 496 3HB ALA 65 3HB ALA 65 1.403 -2.353 -5.897 497 H GLU 66 H GLU 66 -2.155 -3.467 -5.061 498 HA GLU 66 HA GLU 66 -4.144 -3.343 -7.244 499 1HB GLU 66 1HB GLU 66 -3.724 -5.642 -5.404 500 2HB GLU 66 2HB GLU 66 -5.406 -5.114 -5.652 501 1HG GLU 66 1HG GLU 66 -5.286 -5.373 -7.995 502 2HG GLU 66 2HG GLU 66 -3.533 -5.580 -8.000 503 H LEU 67 H LEU 67 -3.245 -2.779 -3.797 504 HA LEU 67 HA LEU 67 -5.405 -0.800 -3.722 505 1HB LEU 67 1HB LEU 67 -5.918 -3.005 -2.393 506 2HB LEU 67 2HB LEU 67 -4.606 -2.498 -1.348 507 HG LEU 67 HG LEU 67 -6.067 -0.217 -1.220 508 1HD1 LEU 67 1HD1 LEU 67 -7.673 -1.229 -2.902 509 2HD1 LEU 67 2HD1 LEU 67 -8.261 -2.272 -1.596 510 3HD1 LEU 67 3HD1 LEU 67 -8.379 -0.493 -1.447 511 1HD2 LEU 67 1HD2 LEU 67 -7.228 -1.101 0.764 512 2HD2 LEU 67 2HD2 LEU 67 -6.701 -2.738 0.324 513 3HD2 LEU 67 3HD2 LEU 67 -5.505 -1.485 0.740 514 H VAL 68 H VAL 68 -4.909 0.938 -2.160 515 HA VAL 68 HA VAL 68 -2.205 1.001 -0.985 516 HB VAL 68 HB VAL 68 -3.311 3.489 -2.306 517 1HG1 VAL 68 1HG1 VAL 68 -0.400 2.730 -2.039 518 2HG1 VAL 68 2HG1 VAL 68 -1.124 4.331 -2.179 519 3HG1 VAL 68 3HG1 VAL 68 -1.268 3.425 -0.658 520 1HG2 VAL 68 1HG2 VAL 68 -1.889 3.128 -4.288 521 2HG2 VAL 68 2HG2 VAL 68 -1.545 1.451 -3.740 522 3HG2 VAL 68 3HG2 VAL 68 -3.209 1.972 -4.163 523 H ILE 69 H ILE 69 -2.213 2.243 0.996 524 HA ILE 69 HA ILE 69 -4.777 3.425 1.835 525 HB ILE 69 HB ILE 69 -3.109 1.639 3.625 526 1HG1 ILE 69 1HG1 ILE 69 -5.790 1.081 2.333 527 2HG1 ILE 69 2HG1 ILE 69 -4.282 0.324 1.901 528 1HG2 ILE 69 1HG2 ILE 69 -4.112 3.299 4.977 529 2HG2 ILE 69 2HG2 ILE 69 -5.622 3.306 4.009 530 3HG2 ILE 69 3HG2 ILE 69 -5.226 1.965 5.071 531 1HD1 ILE 69 1HD1 ILE 69 -5.431 -1.243 3.282 532 2HD1 ILE 69 2HD1 ILE 69 -4.041 -0.626 4.199 533 3HD1 ILE 69 3HD1 ILE 69 -5.677 -0.063 4.570 534 H VAL 70 H VAL 70 -4.334 5.495 2.105 535 HA VAL 70 HA VAL 70 -1.655 6.356 3.090 536 HB VAL 70 HB VAL 70 -1.496 7.981 1.302 537 1HG1 VAL 70 1HG1 VAL 70 -0.728 5.610 0.827 538 2HG1 VAL 70 2HG1 VAL 70 -2.243 5.383 -0.061 539 3HG1 VAL 70 3HG1 VAL 70 -1.077 6.599 -0.604 540 1HG2 VAL 70 1HG2 VAL 70 -3.134 7.948 -0.617 541 2HG2 VAL 70 2HG2 VAL 70 -4.185 6.910 0.343 542 3HG2 VAL 70 3HG2 VAL 70 -3.802 8.554 0.910 543 H ARG 71 H ARG 71 -1.827 8.977 3.211 544 HA ARG 71 HA ARG 71 -4.404 9.654 4.582 545 1HB ARG 71 1HB ARG 71 -1.629 10.694 5.240 546 2HB ARG 71 2HB ARG 71 -3.134 11.112 6.050 547 1HG ARG 71 1HG ARG 71 -3.320 8.527 6.485 548 2HG ARG 71 2HG ARG 71 -1.622 8.478 6.032 549 1HD ARG 71 1HD ARG 71 -1.745 8.619 8.382 550 2HD ARG 71 2HD ARG 71 -1.115 10.160 7.849 551 HE ARG 71 HE ARG 71 -4.027 9.794 8.307 552 1HH1 ARG 71 2HH2 ARG 71 -1.002 10.759 9.961 553 2HH1 ARG 71 1HH2 ARG 71 -1.881 11.633 11.182 554 1HH2 ARG 71 2HH1 ARG 71 -5.080 11.070 9.824 555 2HH2 ARG 71 1HH1 ARG 71 -4.177 11.785 11.125 556 H GLY 72 H GLY 72 -2.012 12.081 4.016 557 1HA GLY 72 1HA GLY 72 -3.896 13.577 2.443 558 2HA GLY 72 2HA GLY 72 -2.275 14.090 2.895 559 H ILE 73 H ILE 73 -1.146 11.648 1.580 560 HA ILE 73 HA ILE 73 0.026 11.275 -0.299 561 HB ILE 73 HB ILE 73 -1.592 9.719 -0.615 562 1HG1 ILE 73 1HG1 ILE 73 -1.968 10.907 -3.358 563 2HG1 ILE 73 2HG1 ILE 73 -0.337 10.527 -2.828 564 1HG2 ILE 73 1HG2 ILE 73 -3.836 10.003 -1.634 565 2HG2 ILE 73 2HG2 ILE 73 -3.674 10.905 -0.140 566 3HG2 ILE 73 3HG2 ILE 73 -3.599 11.751 -1.691 567 1HD1 ILE 73 1HD1 ILE 73 -0.975 8.193 -2.423 568 2HD1 ILE 73 2HD1 ILE 73 -2.645 8.545 -2.915 569 3HD1 ILE 73 3HD1 ILE 73 -1.331 8.684 -4.090 570 H GLY 74 H GLY 74 -2.224 12.760 -2.463 571 1HA GLY 74 1HA GLY 74 -1.658 15.270 -3.069 572 2HA GLY 74 2HA GLY 74 -0.120 14.525 -3.508 573 H ARG 75 H ARG 75 -3.008 15.417 -4.766 574 HA ARG 75 HA ARG 75 -4.176 13.523 -6.156 575 1HB ARG 75 1HB ARG 75 -4.541 16.110 -6.164 576 2HB ARG 75 2HB ARG 75 -3.623 16.080 -7.661 577 1HG ARG 75 1HG ARG 75 -6.282 14.699 -7.079 578 2HG ARG 75 2HG ARG 75 -6.012 16.106 -8.093 579 1HD ARG 75 1HD ARG 75 -4.491 14.491 -9.506 580 2HD ARG 75 2HD ARG 75 -5.328 13.220 -8.606 581 HE ARG 75 HE ARG 75 -6.702 15.255 -10.328 582 1HH1 ARG 75 2HH2 ARG 75 -6.411 11.880 -9.240 583 2HH1 ARG 75 1HH2 ARG 75 -7.458 11.238 -10.446 584 1HH2 ARG 75 2HH1 ARG 75 -7.988 14.396 -12.016 585 2HH2 ARG 75 1HH1 ARG 75 -8.388 12.700 -12.070 586 H ARG 76 H ARG 76 -1.069 14.945 -7.444 587 HA ARG 76 HA ARG 76 -1.269 13.626 -9.913 588 1HB ARG 76 1HB ARG 76 0.389 15.361 -9.417 589 2HB ARG 76 2HB ARG 76 1.296 14.238 -8.378 590 1HG ARG 76 1HG ARG 76 1.822 12.786 -10.205 591 2HG ARG 76 2HG ARG 76 0.612 13.551 -11.254 592 1HD ARG 76 1HD ARG 76 1.960 15.751 -11.003 593 2HD ARG 76 2HD ARG 76 3.271 14.738 -10.405 594 HE ARG 76 HE ARG 76 3.741 14.129 -12.532 595 1HH1 ARG 76 2HH2 ARG 76 0.488 15.536 -12.549 596 2HH1 ARG 76 1HH2 ARG 76 0.199 15.338 -14.230 597 1HH2 ARG 76 2HH1 ARG 76 3.487 14.033 -14.854 598 2HH2 ARG 76 1HH1 ARG 76 2.014 14.510 -15.571 599 H ALA 77 H ALA 77 -0.327 12.177 -6.787 600 HA ALA 77 HA ALA 77 0.577 9.726 -8.169 601 1HB ALA 77 1HB ALA 77 0.173 10.413 -5.211 602 2HB ALA 77 2HB ALA 77 0.775 8.862 -5.822 603 3HB ALA 77 3HB ALA 77 1.728 10.345 -6.083 604 H ILE 78 H ILE 78 -2.450 11.013 -6.872 605 HA ILE 78 HA ILE 78 -3.893 8.572 -6.684 606 HB ILE 78 HB ILE 78 -4.883 11.240 -7.703 607 1HG1 ILE 78 1HG1 ILE 78 -3.854 11.423 -5.441 608 2HG1 ILE 78 2HG1 ILE 78 -5.568 11.719 -5.481 609 1HG2 ILE 78 1HG2 ILE 78 -6.492 8.936 -6.602 610 2HG2 ILE 78 2HG2 ILE 78 -7.088 10.552 -6.971 611 3HG2 ILE 78 3HG2 ILE 78 -6.484 9.517 -8.276 612 1HD1 ILE 78 1HD1 ILE 78 -4.939 10.472 -3.515 613 2HD1 ILE 78 2HD1 ILE 78 -6.041 9.527 -4.512 614 3HD1 ILE 78 3HD1 ILE 78 -4.298 9.149 -4.521 615 H ALA 79 H ALA 79 -3.045 10.737 -9.465 616 HA ALA 79 HA ALA 79 -4.316 9.170 -11.463 617 1HB ALA 79 1HB ALA 79 -3.644 11.510 -11.781 618 2HB ALA 79 2HB ALA 79 -1.930 11.034 -11.751 619 3HB ALA 79 3HB ALA 79 -2.987 10.469 -13.053 620 H ALA 80 H ALA 80 -1.473 8.167 -9.632 621 HA ALA 80 HA ALA 80 -0.372 6.480 -11.733 622 1HB ALA 80 1HB ALA 80 -0.021 6.419 -8.694 623 2HB ALA 80 2HB ALA 80 0.903 5.534 -9.895 624 3HB ALA 80 3HB ALA 80 0.989 7.329 -9.812 625 H PHE 81 H PHE 81 -2.131 5.825 -8.636 626 HA PHE 81 HA PHE 81 -3.133 3.383 -8.948 627 1HB PHE 81 1HB PHE 81 -4.191 4.205 -7.143 628 2HB PHE 81 2HB PHE 81 -3.966 5.804 -7.761 629 HD1 PHE 81 1HD PHE 81 -6.393 3.083 -8.788 630 HD2 PHE 81 2HD PHE 81 -5.823 7.126 -7.579 631 HE1 PHE 81 1HE PHE 81 -8.830 3.402 -8.833 632 HE2 PHE 81 2HE PHE 81 -8.283 7.493 -7.660 633 HZ PHE 81 HZ PHE 81 -9.784 5.599 -8.201 634 H GLU 82 H GLU 82 -4.656 6.225 -10.313 635 HA GLU 82 HA GLU 82 -6.693 4.863 -11.600 636 1HB GLU 82 1HB GLU 82 -5.351 7.509 -12.354 637 2HB GLU 82 2HB GLU 82 -6.862 7.010 -13.009 638 1HG GLU 82 1HG GLU 82 -7.736 7.013 -10.505 639 2HG GLU 82 2HG GLU 82 -6.245 7.833 -10.167 640 H ALA 83 H ALA 83 -3.345 4.795 -12.609 641 HA ALA 83 HA ALA 83 -4.025 4.417 -15.434 642 1HB ALA 83 1HB ALA 83 -1.427 4.003 -13.891 643 2HB ALA 83 2HB ALA 83 -1.618 3.990 -15.653 644 3HB ALA 83 3HB ALA 83 -1.871 5.510 -14.749 645 H MET 84 H MET 84 -3.764 2.661 -12.391 646 HA MET 84 HA MET 84 -3.724 0.068 -13.911 647 1HB MET 84 1HB MET 84 -2.422 -0.853 -11.994 648 2HB MET 84 2HB MET 84 -1.564 0.235 -13.088 649 1HG MET 84 1HG MET 84 -1.776 2.073 -11.541 650 2HG MET 84 2HG MET 84 -2.775 1.121 -10.479 651 1HE MET 84 1HE MET 84 -0.076 -1.330 -11.562 652 2HE MET 84 2HE MET 84 0.636 -1.520 -9.954 653 3HE MET 84 3HE MET 84 -1.112 -1.697 -10.175 654 H GLY 85 H GLY 85 -5.816 1.926 -12.345 655 1HA GLY 85 1HA GLY 85 -7.811 1.553 -11.298 656 2HA GLY 85 2HA GLY 85 -7.678 -0.152 -11.732 657 H VAL 86 H VAL 86 -5.261 1.516 -9.807 658 HA VAL 86 HA VAL 86 -5.502 -0.622 -7.748 659 HB VAL 86 HB VAL 86 -3.423 1.457 -8.535 660 1HG1 VAL 86 1HG1 VAL 86 -1.952 0.691 -6.634 661 2HG1 VAL 86 2HG1 VAL 86 -3.195 1.889 -6.328 662 3HG1 VAL 86 3HG1 VAL 86 -3.456 0.192 -5.816 663 1HG2 VAL 86 1HG2 VAL 86 -3.474 -1.535 -7.929 664 2HG2 VAL 86 2HG2 VAL 86 -3.433 -0.830 -9.538 665 3HG2 VAL 86 3HG2 VAL 86 -2.038 -0.682 -8.437 666 H LYS 87 H LYS 87 -7.161 -0.375 -6.400 667 HA LYS 87 HA LYS 87 -8.320 2.201 -6.009 668 1HB LYS 87 1HB LYS 87 -9.500 -0.008 -5.898 669 2HB LYS 87 2HB LYS 87 -8.825 -0.214 -4.285 670 1HG LYS 87 1HG LYS 87 -9.851 2.309 -4.013 671 2HG LYS 87 2HG LYS 87 -10.917 1.713 -5.280 672 1HD LYS 87 1HD LYS 87 -10.433 0.341 -2.591 673 2HD LYS 87 2HD LYS 87 -11.704 1.503 -2.911 674 1HE LYS 87 1HE LYS 87 -13.009 -0.208 -3.415 675 2HE LYS 87 2HE LYS 87 -12.174 -0.214 -4.964 676 1HZ LYS 87 1HZ LYS 87 -11.542 -1.897 -2.610 677 2HZ LYS 87 2HZ LYS 87 -12.283 -2.378 -3.961 678 3HZ LYS 87 3HZ LYS 87 -10.705 -1.955 -4.069 679 H VAL 88 H VAL 88 -7.994 3.825 -4.567 680 HA VAL 88 HA VAL 88 -5.838 3.414 -2.581 681 HB VAL 88 HB VAL 88 -4.984 4.620 -4.372 682 1HG1 VAL 88 1HG1 VAL 88 -7.312 6.590 -4.275 683 2HG1 VAL 88 2HG1 VAL 88 -5.875 6.708 -5.299 684 3HG1 VAL 88 3HG1 VAL 88 -7.014 5.386 -5.541 685 1HG2 VAL 88 1HG2 VAL 88 -5.706 6.715 -2.282 686 2HG2 VAL 88 2HG2 VAL 88 -4.430 5.493 -2.093 687 3HG2 VAL 88 3HG2 VAL 88 -4.305 6.724 -3.358 688 H ILE 89 H ILE 89 -6.710 3.243 -0.674 689 HA ILE 89 HA ILE 89 -9.083 4.862 0.073 690 HB ILE 89 HB ILE 89 -7.606 2.493 1.264 691 1HG1 ILE 89 1HG1 ILE 89 -10.531 3.012 0.564 692 2HG1 ILE 89 2HG1 ILE 89 -9.387 2.330 -0.570 693 1HG2 ILE 89 1HG2 ILE 89 -9.355 2.829 3.195 694 2HG2 ILE 89 2HG2 ILE 89 -7.884 3.819 3.196 695 3HG2 ILE 89 3HG2 ILE 89 -9.376 4.529 2.661 696 1HD1 ILE 89 1HD1 ILE 89 -10.323 1.004 1.970 697 2HD1 ILE 89 2HD1 ILE 89 -10.789 0.630 0.304 698 3HD1 ILE 89 3HD1 ILE 89 -9.122 0.352 0.810 699 H LYS 90 H LYS 90 -8.890 6.707 1.317 700 HA LYS 90 HA LYS 90 -6.179 7.357 2.338 701 1HB LYS 90 1HB LYS 90 -8.341 9.169 1.244 702 2HB LYS 90 2HB LYS 90 -6.813 9.651 1.939 703 1HG LYS 90 1HG LYS 90 -5.640 9.290 0.082 704 2HG LYS 90 2HG LYS 90 -6.359 7.717 -0.231 705 1HD LYS 90 1HD LYS 90 -7.509 10.400 -0.913 706 2HD LYS 90 2HD LYS 90 -6.717 9.296 -2.045 707 1HE LYS 90 1HE LYS 90 -8.794 8.682 -2.543 708 2HE LYS 90 2HE LYS 90 -8.689 7.655 -1.121 709 1HZ LYS 90 1HZ LYS 90 -10.642 9.251 -1.473 710 2HZ LYS 90 2HZ LYS 90 -10.019 9.217 0.067 711 3HZ LYS 90 3HZ LYS 90 -9.675 10.454 -0.943 712 H GLY 91 H GLY 91 -6.472 9.290 3.947 713 1HA GLY 91 1HA GLY 91 -7.263 10.066 5.970 714 2HA GLY 91 2HA GLY 91 -8.811 9.304 5.568 715 H ALA 92 H ALA 92 -5.970 7.245 5.598 716 HA ALA 92 HA ALA 92 -6.985 5.780 7.923 717 1HB ALA 92 1HB ALA 92 -5.913 4.631 6.012 718 2HB ALA 92 2HB ALA 92 -4.404 5.527 6.303 719 3HB ALA 92 3HB ALA 92 -4.997 4.357 7.506 720 H SER 93 H SER 93 -5.134 5.296 9.697 721 HA SER 93 HA SER 93 -2.996 7.052 9.986 722 1HB SER 93 1HB SER 93 -3.632 8.078 12.151 723 2HB SER 93 2HB SER 93 -4.517 8.724 10.769 724 HG SER 93 HG SER 93 -5.365 7.242 12.929 725 H GLY 94 H GLY 94 -1.648 6.211 11.747 726 1HA GLY 94 1HA GLY 94 -1.542 4.848 13.791 727 2HA GLY 94 2HA GLY 94 -2.652 3.687 13.038 728 H THR 95 H THR 95 -0.771 2.146 13.602 729 HA THR 95 HA THR 95 1.555 2.390 11.830 730 HB THR 95 HB THR 95 2.155 0.189 12.939 731 HG1 THR 95 1HG THR 95 0.916 -0.318 14.777 732 1HG2 THR 95 1HG2 THR 95 2.899 2.418 13.789 733 2HG2 THR 95 2HG2 THR 95 1.461 2.469 14.828 734 3HG2 THR 95 3HG2 THR 95 2.696 1.219 15.087 735 H VAL 96 H VAL 96 2.136 0.413 10.498 736 HA VAL 96 HA VAL 96 0.164 -0.065 8.551 737 HB VAL 96 HB VAL 96 2.770 -1.442 9.297 738 1HG1 VAL 96 1HG1 VAL 96 2.685 -2.717 7.159 739 2HG1 VAL 96 2HG1 VAL 96 1.468 -3.277 8.309 740 3HG1 VAL 96 3HG1 VAL 96 0.989 -2.244 6.963 741 1HG2 VAL 96 1HG2 VAL 96 1.863 0.089 6.830 742 2HG2 VAL 96 2HG2 VAL 96 2.659 0.831 8.228 743 3HG2 VAL 96 3HG2 VAL 96 3.518 -0.373 7.241 744 H GLU 97 H GLU 97 1.183 -2.111 11.300 745 HA GLU 97 HA GLU 97 -0.496 -4.306 10.743 746 1HB GLU 97 1HB GLU 97 -0.220 -4.829 13.193 747 2HB GLU 97 2HB GLU 97 1.288 -4.445 12.358 748 1HG GLU 97 1HG GLU 97 1.260 -2.148 13.281 749 2HG GLU 97 2HG GLU 97 -0.312 -2.463 14.022 750 H GLU 98 H GLU 98 -1.345 -1.170 12.061 751 HA GLU 98 HA GLU 98 -3.889 -2.005 13.264 752 1HB GLU 98 1HB GLU 98 -2.574 0.709 12.815 753 2HB GLU 98 2HB GLU 98 -4.266 0.547 13.248 754 1HG GLU 98 1HG GLU 98 -3.655 -0.644 15.311 755 2HG GLU 98 2HG GLU 98 -1.944 -0.450 14.918 756 H VAL 99 H VAL 99 -2.803 0.235 10.656 757 HA VAL 99 HA VAL 99 -5.298 0.728 9.568 758 HB VAL 99 HB VAL 99 -2.395 0.769 8.549 759 1HG1 VAL 99 1HG1 VAL 99 -4.781 1.887 7.113 760 2HG1 VAL 99 2HG1 VAL 99 -3.069 2.182 6.678 761 3HG1 VAL 99 3HG1 VAL 99 -3.743 0.563 6.519 762 1HG2 VAL 99 1HG2 VAL 99 -2.724 3.240 8.679 763 2HG2 VAL 99 2HG2 VAL 99 -4.371 2.976 9.271 764 3HG2 VAL 99 3HG2 VAL 99 -2.981 2.468 10.262 765 H VAL 100 H VAL 100 -2.962 -1.854 8.669 766 HA VAL 100 HA VAL 100 -4.421 -2.792 6.389 767 HB VAL 100 HB VAL 100 -2.427 -4.155 8.271 768 1HG1 VAL 100 1HG1 VAL 100 -3.651 -5.169 5.659 769 2HG1 VAL 100 2HG1 VAL 100 -2.180 -5.824 6.398 770 3HG1 VAL 100 3HG1 VAL 100 -3.709 -5.939 7.266 771 1HG2 VAL 100 1HG2 VAL 100 -0.874 -3.842 6.425 772 2HG2 VAL 100 2HG2 VAL 100 -2.142 -3.137 5.394 773 3HG2 VAL 100 3HG2 VAL 100 -1.572 -2.281 6.836 774 H ASN 101 H ASN 101 -4.514 -3.680 9.921 775 HA ASN 101 HA ASN 101 -6.525 -5.711 9.409 776 1HB ASN 101 1HB ASN 101 -5.136 -5.843 11.389 777 2HB ASN 101 2HB ASN 101 -5.744 -4.293 11.963 778 1HD2 ASN 101 1HD2 ASN 101 -7.700 -4.329 13.208 779 2HD2 ASN 101 2HD2 ASN 101 -8.702 -5.766 13.337 780 H GLN 102 H GLN 102 -6.730 -2.192 10.132 781 HA GLN 102 HA GLN 102 -9.540 -2.119 10.613 782 1HB GLN 102 1HB GLN 102 -7.810 0.050 9.319 783 2HB GLN 102 2HB GLN 102 -9.468 0.245 9.890 784 1HG GLN 102 1HG GLN 102 -8.736 -0.337 12.190 785 2HG GLN 102 2HG GLN 102 -7.088 -0.427 11.643 786 1HE2 GLN 102 1HE2 GLN 102 -6.998 1.210 13.545 787 2HE2 GLN 102 2HE2 GLN 102 -7.121 2.883 13.050 788 H TYR 103 H TYR 103 -7.698 -1.742 7.558 789 HA TYR 103 HA TYR 103 -9.898 -1.565 5.799 790 1HB TYR 103 1HB TYR 103 -7.789 -1.048 5.051 791 2HB TYR 103 2HB TYR 103 -7.073 -2.568 5.494 792 HD1 TYR 103 1HD TYR 103 -9.888 -1.315 3.275 793 HD2 TYR 103 2HD TYR 103 -6.763 -4.245 3.856 794 HE1 TYR 103 1HE TYR 103 -10.554 -2.456 1.178 795 HE2 TYR 103 2HE TYR 103 -7.415 -5.368 1.776 796 HH TYR 103 HH TYR 103 -9.145 -5.584 0.247 797 H LEU 104 H LEU 104 -8.080 -4.583 6.747 798 HA LEU 104 HA LEU 104 -9.696 -6.329 5.293 799 1HB LEU 104 1HB LEU 104 -7.939 -6.608 7.759 800 2HB LEU 104 2HB LEU 104 -9.013 -7.922 7.308 801 HG LEU 104 HG LEU 104 -8.035 -7.727 4.942 802 1HD1 LEU 104 1HD1 LEU 104 -5.754 -6.979 4.710 803 2HD1 LEU 104 2HD1 LEU 104 -6.740 -5.646 5.335 804 3HD1 LEU 104 3HD1 LEU 104 -5.700 -6.539 6.433 805 1HD2 LEU 104 1HD2 LEU 104 -6.131 -9.223 5.559 806 2HD2 LEU 104 2HD2 LEU 104 -6.336 -8.723 7.263 807 3HD2 LEU 104 3HD2 LEU 104 -7.619 -9.647 6.447 808 H SER 105 H SER 105 -10.256 -4.771 8.401 809 HA SER 105 HA SER 105 -12.570 -6.417 9.075 810 1HB SER 105 1HB SER 105 -11.706 -3.745 10.242 811 2HB SER 105 2HB SER 105 -12.832 -4.921 10.946 812 HG SER 105 HG SER 105 -10.042 -5.056 10.592 813 H GLY 106 H GLY 106 -12.161 -4.101 6.655 814 1HA GLY 106 1HA GLY 106 -13.736 -3.259 5.240 815 2HA GLY 106 2HA GLY 106 -15.009 -3.917 6.261 816 H GLN 107 H GLN 107 -12.812 -1.970 8.082 817 HA GLN 107 HA GLN 107 -14.921 -0.016 8.609 818 1HB GLN 107 1HB GLN 107 -12.025 -0.266 9.540 819 2HB GLN 107 2HB GLN 107 -13.129 0.968 10.113 820 1HG GLN 107 1HG GLN 107 -13.633 -2.030 10.372 821 2HG GLN 107 2HG GLN 107 -12.894 -1.035 11.624 822 1HE2 GLN 107 1HE2 GLN 107 -15.486 -2.562 11.816 823 2HE2 GLN 107 2HE2 GLN 107 -16.599 -1.322 12.334 824 H LEU 108 H LEU 108 -11.767 -0.040 7.066 825 HA LEU 108 HA LEU 108 -11.706 2.798 6.499 826 1HB LEU 108 1HB LEU 108 -9.926 0.540 6.523 827 2HB LEU 108 2HB LEU 108 -9.843 1.180 4.908 828 HG LEU 108 HG LEU 108 -9.120 3.347 5.777 829 1HD1 LEU 108 1HD1 LEU 108 -9.556 2.149 8.547 830 2HD1 LEU 108 2HD1 LEU 108 -8.621 3.620 8.243 831 3HD1 LEU 108 3HD1 LEU 108 -10.338 3.597 7.891 832 1HD2 LEU 108 1HD2 LEU 108 -6.995 2.664 6.801 833 2HD2 LEU 108 2HD2 LEU 108 -7.652 1.053 7.135 834 3HD2 LEU 108 3HD2 LEU 108 -7.440 1.595 5.459 835 H LYS 109 H LYS 109 -11.751 3.837 4.360 836 HA LYS 109 HA LYS 109 -12.732 2.350 2.072 837 1HB LYS 109 1HB LYS 109 -14.738 2.938 3.757 838 2HB LYS 109 2HB LYS 109 -14.586 4.535 3.064 839 1HG LYS 109 1HG LYS 109 -16.287 3.383 1.831 840 2HG LYS 109 2HG LYS 109 -14.911 3.516 0.781 841 1HD LYS 109 1HD LYS 109 -14.499 1.005 1.981 842 2HD LYS 109 2HD LYS 109 -16.260 1.136 1.895 843 1HE LYS 109 1HE LYS 109 -15.909 1.881 -0.566 844 2HE LYS 109 2HE LYS 109 -14.238 1.355 -0.387 845 1HZ LYS 109 1HZ LYS 109 -15.106 -0.859 0.125 846 2HZ LYS 109 2HZ LYS 109 -16.647 -0.322 -0.058 847 3HZ LYS 109 3HZ LYS 109 -15.646 -0.335 -1.348 848 H ASP 110 H ASP 110 -13.190 3.825 0.207 849 HA ASP 110 HA ASP 110 -11.260 6.025 0.030 850 1HB ASP 110 1HB ASP 110 -11.308 5.433 -2.380 851 2HB ASP 110 2HB ASP 110 -10.929 4.026 -1.407 852 H SER 111 H SER 111 -14.086 6.404 1.067 853 HA SER 111 HA SER 111 -15.604 7.543 -1.139 854 1HB SER 111 1HB SER 111 -16.120 7.442 1.852 855 2HB SER 111 2HB SER 111 -17.271 7.983 0.608 856 HG SER 111 HG SER 111 -17.749 5.921 0.764 857 H ASP 112 H ASP 112 -13.269 8.987 -1.215 858 HA ASP 112 HA ASP 112 -14.254 11.657 -0.588 859 1HB ASP 112 1HB ASP 112 -11.852 10.530 0.838 860 2HB ASP 112 2HB ASP 112 -11.739 12.187 0.222 861 H TYR 113 H TYR 113 -14.557 11.360 -2.859 862 HA TYR 113 HA TYR 113 -12.496 12.688 -4.324 863 1HB TYR 113 1HB TYR 113 -11.666 10.328 -4.478 864 2HB TYR 113 2HB TYR 113 -13.183 9.825 -5.179 865 HD1 TYR 113 1HD TYR 113 -13.837 10.968 -7.505 866 HD2 TYR 113 2HD TYR 113 -9.888 10.961 -5.804 867 HE1 TYR 113 1HE TYR 113 -12.878 11.309 -9.743 868 HE2 TYR 113 2HE TYR 113 -8.907 11.193 -8.067 869 HH TYR 113 HH TYR 113 -9.531 10.660 -10.390 870 H GLU 114 H GLU 114 -14.183 14.246 -4.748 871 HA GLU 114 HA GLU 114 -15.477 13.485 -7.114 872 1HB GLU 114 1HB GLU 114 -17.145 13.176 -4.816 873 2HB GLU 114 2HB GLU 114 -17.702 14.641 -5.605 874 1HG GLU 114 1HG GLU 114 -18.127 13.528 -7.658 875 2HG GLU 114 2HG GLU 114 -17.132 12.142 -7.245 876 H VAL 115 H VAL 115 -16.603 15.470 -8.121 877 HA VAL 115 HA VAL 115 -16.180 17.307 -9.126 878 HB VAL 115 HB VAL 115 -17.396 18.955 -8.082 879 1HG1 VAL 115 1HG1 VAL 115 -18.574 16.320 -7.170 880 2HG1 VAL 115 2HG1 VAL 115 -19.435 17.824 -7.509 881 3HG1 VAL 115 3HG1 VAL 115 -18.619 16.979 -8.826 882 1HG2 VAL 115 1HG2 VAL 115 -18.096 19.004 -5.736 883 2HG2 VAL 115 2HG2 VAL 115 -17.196 17.518 -5.399 884 3HG2 VAL 115 3HG2 VAL 115 -16.330 19.018 -5.801 885 H HIS 116 H HIS 116 -13.659 16.766 -7.192 886 HA HIS 116 HA HIS 116 -12.571 19.261 -6.628 887 1HB HIS 116 1HB HIS 116 -11.421 16.517 -7.001 888 2HB HIS 116 2HB HIS 116 -10.287 17.847 -7.102 889 HD1 HIS 116 1HD HIS 116 -9.468 18.924 -4.942 890 HD2 HIS 116 2HD HIS 116 -12.768 16.322 -4.485 891 HE1 HIS 116 1HE HIS 116 -9.838 18.610 -2.402 892 HE2 HIS 116 2HE HIS 116 -11.920 17.075 -2.147 893 H ASP 117 H ASP 117 -11.603 17.324 -9.549 894 HA ASP 117 HA ASP 117 -11.235 19.722 -11.157 895 1HB ASP 117 1HB ASP 117 -9.254 19.927 -9.681 896 2HB ASP 117 2HB ASP 117 -8.792 18.269 -10.037 897 H HIS 118 H HIS 118 -11.202 19.112 -13.294 898 HA HIS 118 HA HIS 118 -10.493 16.307 -14.029 899 1HB HIS 118 1HB HIS 118 -12.832 17.338 -14.532 900 2HB HIS 118 2HB HIS 118 -12.019 18.281 -15.762 901 HD1 HIS 118 1HD HIS 118 -14.246 15.889 -16.054 902 HD2 HIS 118 2HD HIS 118 -10.086 15.660 -16.807 903 HE1 HIS 118 1HE HIS 118 -13.872 13.867 -17.615 904 HE2 HIS 118 2HE HIS 118 -11.354 13.670 -17.955 905 H HIS 119 H HIS 119 -8.324 16.302 -14.640 906 HA HIS 119 HA HIS 119 -7.706 17.885 -16.975 907 1HB HIS 119 1HB HIS 119 -6.850 19.200 -14.875 908 2HB HIS 119 2HB HIS 119 -5.664 17.932 -14.714 909 HD1 HIS 119 1HD HIS 119 -3.732 19.858 -15.182 910 HD2 HIS 119 2HD HIS 119 -6.597 19.264 -18.276 911 HE1 HIS 119 1HE HIS 119 -2.923 21.140 -17.246 912 HE2 HIS 119 2HE HIS 119 -4.630 20.748 -19.109 913 H HIS 120 H HIS 120 -6.054 16.753 -18.257 914 HA HIS 120 HA HIS 120 -4.490 14.719 -16.997 915 1HB HIS 120 1HB HIS 120 -6.924 13.770 -17.945 916 2HB HIS 120 2HB HIS 120 -5.932 13.584 -19.379 917 HD1 HIS 120 1HD HIS 120 -6.050 10.816 -19.084 918 HD2 HIS 120 2HD HIS 120 -4.634 12.979 -15.712 919 HE1 HIS 120 1HE HIS 120 -5.265 9.138 -17.380 920 HE2 HIS 120 2HE HIS 120 -4.412 10.390 -15.369 921 H HIS 121 H HIS 121 -3.026 13.754 -18.697 922 HA HIS 121 HA HIS 121 -1.426 13.858 -20.239 923 1HB HIS 121 1HB HIS 121 -3.263 15.787 -21.696 924 2HB HIS 121 2HB HIS 121 -1.596 15.639 -22.154 925 HD1 HIS 121 1HD HIS 121 -4.851 14.034 -22.996 926 HD2 HIS 121 2HD HIS 121 -0.712 13.036 -22.842 927 HE1 HIS 121 1HE HIS 121 -4.505 12.098 -24.594 928 HE2 HIS 121 2HE HIS 121 -1.976 11.474 -24.484 929 H GLU 122 H GLU 122 0.348 15.289 -20.931 930 HA GLU 122 HA GLU 122 0.699 17.804 -19.533 931 1HB GLU 122 1HB GLU 122 2.989 17.169 -18.815 932 2HB GLU 122 2HB GLU 122 1.720 16.306 -17.984 933 1HG GLU 122 1HG GLU 122 2.779 14.417 -18.422 934 2HG GLU 122 2HG GLU 122 2.324 14.568 -20.104 935 H HIS 123 H HIS 123 3.249 18.399 -20.583 936 HA HIS 123 HA HIS 123 3.070 17.816 -23.440 937 1HB HIS 123 1HB HIS 123 1.393 19.697 -22.832 938 2HB HIS 123 2HB HIS 123 2.805 20.725 -22.614 939 HD1 HIS 123 1HD HIS 123 3.658 21.813 -24.865 940 HD2 HIS 123 2HD HIS 123 1.318 18.318 -25.339 941 HE1 HIS 123 1HE HIS 123 3.495 21.402 -27.376 942 HE2 HIS 123 2HE HIS 123 2.130 19.216 -27.682 943 H HIS 124 H HIS 124 5.108 17.071 -21.838 944 HA HIS 124 HA HIS 124 7.261 16.636 -22.533 945 1HB HIS 124 1HB HIS 124 7.270 18.316 -24.403 946 2HB HIS 124 2HB HIS 124 7.578 19.584 -23.204 947 HD1 HIS 124 1HD HIS 124 10.029 19.889 -22.315 948 HD2 HIS 124 2HD HIS 124 9.346 16.617 -24.899 949 HE1 HIS 124 1HE HIS 124 12.355 19.045 -23.127 950 HE2 HIS 124 2HE HIS 124 11.953 17.073 -24.642 Start of MODEL 7 1 1H MET 1 1H MET 1 -3.043 -10.337 -4.373 2 HA MET 1 HA MET 1 -3.947 -7.544 -4.516 3 1HB MET 1 1HB MET 1 -5.626 -9.062 -3.547 4 2HB MET 1 2HB MET 1 -4.470 -9.506 -2.283 5 1HG MET 1 1HG MET 1 -5.911 -7.742 -1.418 6 2HG MET 1 2HG MET 1 -4.337 -7.042 -1.650 7 1HE MET 1 1HE MET 1 -6.206 -4.933 -1.114 8 2HE MET 1 2HE MET 1 -7.410 -4.445 -2.324 9 3HE MET 1 3HE MET 1 -7.617 -5.962 -1.442 10 H ILE 2 H ILE 2 -2.766 -6.021 -3.697 11 HA ILE 2 HA ILE 2 -0.738 -6.553 -1.667 12 HB ILE 2 HB ILE 2 0.046 -4.843 -4.025 13 1HG1 ILE 2 1HG1 ILE 2 0.271 -7.873 -4.014 14 2HG1 ILE 2 2HG1 ILE 2 -0.369 -6.793 -5.258 15 1HG2 ILE 2 1HG2 ILE 2 1.302 -4.987 -1.758 16 2HG2 ILE 2 2HG2 ILE 2 1.907 -6.530 -2.343 17 3HG2 ILE 2 3HG2 ILE 2 2.221 -5.052 -3.266 18 1HD1 ILE 2 1HD1 ILE 2 1.701 -7.470 -6.107 19 2HD1 ILE 2 2HD1 ILE 2 1.998 -5.863 -5.459 20 3HD1 ILE 2 3HD1 ILE 2 2.524 -7.293 -4.538 21 H ILE 3 H ILE 3 -0.522 -4.678 -0.382 22 HA ILE 3 HA ILE 3 -2.346 -2.408 -0.903 23 HB ILE 3 HB ILE 3 -1.932 -3.904 1.711 24 1HG1 ILE 3 1HG1 ILE 3 -4.666 -4.089 0.958 25 2HG1 ILE 3 2HG1 ILE 3 -3.788 -4.473 -0.513 26 1HG2 ILE 3 1HG2 ILE 3 -2.405 -1.536 2.028 27 2HG2 ILE 3 2HG2 ILE 3 -3.777 -1.630 0.902 28 3HG2 ILE 3 3HG2 ILE 3 -3.821 -2.487 2.450 29 1HD1 ILE 3 1HD1 ILE 3 -2.570 -6.259 0.727 30 2HD1 ILE 3 2HD1 ILE 3 -3.425 -5.771 2.226 31 3HD1 ILE 3 3HD1 ILE 3 -4.348 -6.440 0.877 32 H ALA 4 H ALA 4 -0.899 -0.764 -1.249 33 HA ALA 4 HA ALA 4 1.728 -0.702 0.089 34 1HB ALA 4 1HB ALA 4 0.476 0.638 -2.194 35 2HB ALA 4 2HB ALA 4 1.277 1.786 -1.132 36 3HB ALA 4 3HB ALA 4 2.203 0.449 -1.776 37 H ILE 5 H ILE 5 2.379 0.665 1.751 38 HA ILE 5 HA ILE 5 0.441 2.609 2.819 39 HB ILE 5 HB ILE 5 1.762 0.469 4.498 40 1HG1 ILE 5 1HG1 ILE 5 -1.181 1.134 4.069 41 2HG1 ILE 5 2HG1 ILE 5 -0.349 -0.193 3.255 42 1HG2 ILE 5 1HG2 ILE 5 0.625 1.655 6.416 43 2HG2 ILE 5 2HG2 ILE 5 1.800 2.696 5.635 44 3HG2 ILE 5 3HG2 ILE 5 0.069 2.901 5.284 45 1HD1 ILE 5 1HD1 ILE 5 0.095 -1.303 5.359 46 2HD1 ILE 5 2HD1 ILE 5 -0.782 -0.032 6.245 47 3HD1 ILE 5 3HD1 ILE 5 -1.638 -1.048 5.077 48 HA PRO 6 HA PRO 6 4.553 4.473 2.440 49 1HB PRO 6 1HB PRO 6 3.804 7.098 2.632 50 2HB PRO 6 2HB PRO 6 3.544 6.126 1.149 51 1HG PRO 6 1HG PRO 6 1.573 6.927 3.250 52 2HG PRO 6 2HG PRO 6 1.337 6.747 1.482 53 1HD PRO 6 1HD PRO 6 0.686 4.857 3.499 54 2HD PRO 6 2HD PRO 6 0.808 4.500 1.763 55 H VAL 7 H VAL 7 5.700 4.018 4.292 56 HA VAL 7 HA VAL 7 4.668 5.110 6.851 57 HB VAL 7 HB VAL 7 6.196 3.500 7.940 58 1HG1 VAL 7 1HG1 VAL 7 4.798 1.627 7.642 59 2HG1 VAL 7 2HG1 VAL 7 3.785 3.057 7.535 60 3HG1 VAL 7 3HG1 VAL 7 4.228 2.171 6.045 61 1HG2 VAL 7 1HG2 VAL 7 6.720 2.469 5.114 62 2HG2 VAL 7 2HG2 VAL 7 7.887 2.979 6.376 63 3HG2 VAL 7 3HG2 VAL 7 6.962 1.503 6.571 64 H SER 8 H SER 8 6.140 6.031 8.361 65 HA SER 8 HA SER 8 8.126 7.727 7.043 66 1HB SER 8 1HB SER 8 7.378 7.470 9.982 67 2HB SER 8 2HB SER 8 8.454 8.690 9.289 68 HG SER 8 HG SER 8 6.041 9.216 9.516 69 H GLU 9 H GLU 9 8.160 4.601 8.792 70 HA GLU 9 HA GLU 9 11.070 4.479 8.604 71 1HB GLU 9 1HB GLU 9 9.596 4.336 11.270 72 2HB GLU 9 2HB GLU 9 11.267 3.846 11.015 73 1HG GLU 9 1HG GLU 9 10.184 6.661 10.689 74 2HG GLU 9 2HG GLU 9 11.036 6.071 12.065 75 H ASN 10 H ASN 10 11.805 2.307 9.111 76 HA ASN 10 HA ASN 10 9.807 0.241 8.286 77 1HB ASN 10 1HB ASN 10 11.788 0.490 6.861 78 2HB ASN 10 2HB ASN 10 12.849 0.264 8.270 79 1HD2 ASN 10 1HD2 ASN 10 13.152 -1.326 5.972 80 2HD2 ASN 10 2HD2 ASN 10 12.740 -2.963 6.359 81 H ARG 11 H ARG 11 8.804 0.031 10.327 82 HA ARG 11 HA ARG 11 10.513 -1.125 12.490 83 1HB ARG 11 1HB ARG 11 7.808 0.106 12.896 84 2HB ARG 11 2HB ARG 11 8.984 -0.405 14.091 85 1HG ARG 11 1HG ARG 11 10.520 1.398 13.198 86 2HG ARG 11 2HG ARG 11 9.167 1.994 12.198 87 1HD ARG 11 1HD ARG 11 7.801 2.284 14.228 88 2HD ARG 11 2HD ARG 11 9.108 1.633 15.231 89 HE ARG 11 HE ARG 11 10.396 3.663 14.034 90 1HH1 ARG 11 2HH2 ARG 11 7.254 3.594 15.697 91 2HH1 ARG 11 1HH2 ARG 11 7.376 5.150 16.391 92 1HH2 ARG 11 2HH1 ARG 11 10.691 5.660 15.139 93 2HH2 ARG 11 1HH1 ARG 11 9.345 6.447 15.885 94 H GLY 12 H GLY 12 9.641 -2.703 10.176 95 1HA GLY 12 1HA GLY 12 8.356 -4.516 9.564 96 2HA GLY 12 2HA GLY 12 8.953 -5.130 11.088 97 H LYS 13 H LYS 13 6.374 -3.366 9.549 98 HA LYS 13 HA LYS 13 4.103 -3.449 9.669 99 1HB LYS 13 1HB LYS 13 4.146 -5.107 12.181 100 2HB LYS 13 2HB LYS 13 2.865 -4.874 11.031 101 1HG LYS 13 1HG LYS 13 3.781 -6.284 9.420 102 2HG LYS 13 2HG LYS 13 5.396 -6.276 10.162 103 1HD LYS 13 1HD LYS 13 2.942 -7.434 11.522 104 2HD LYS 13 2HD LYS 13 4.087 -8.383 10.538 105 1HE LYS 13 1HE LYS 13 5.878 -8.055 12.013 106 2HE LYS 13 2HE LYS 13 5.148 -6.659 12.795 107 1HZ LYS 13 1HZ LYS 13 3.723 -7.940 13.989 108 2HZ LYS 13 2HZ LYS 13 3.905 -9.301 13.074 109 3HZ LYS 13 3HZ LYS 13 5.109 -8.811 14.055 110 H ASP 14 H ASP 14 5.763 -3.108 12.813 111 HA ASP 14 HA ASP 14 3.770 -1.321 13.933 112 1HB ASP 14 1HB ASP 14 6.727 -1.477 14.629 113 2HB ASP 14 2HB ASP 14 5.515 -0.554 15.477 114 H SER 15 H SER 15 5.884 -0.995 11.395 115 HA SER 15 HA SER 15 6.910 1.394 10.942 116 1HB SER 15 1HB SER 15 5.214 -0.202 9.040 117 2HB SER 15 2HB SER 15 6.574 0.889 8.649 118 HG SER 15 HG SER 15 7.076 -1.453 8.816 119 HA PRO 16 HA PRO 16 3.220 3.852 11.815 120 1HB PRO 16 1HB PRO 16 4.425 6.297 12.123 121 2HB PRO 16 2HB PRO 16 4.520 4.975 13.337 122 1HG PRO 16 1HG PRO 16 6.567 5.741 11.237 123 2HG PRO 16 2HG PRO 16 6.834 5.402 12.979 124 1HD PRO 16 1HD PRO 16 7.221 3.524 11.044 125 2HD PRO 16 2HD PRO 16 6.589 3.093 12.663 126 H ILE 17 H ILE 17 1.746 4.812 10.367 127 HA ILE 17 HA ILE 17 2.545 5.161 7.675 128 HB ILE 17 HB ILE 17 0.312 4.444 8.479 129 1HG1 ILE 17 1HG1 ILE 17 0.134 6.876 6.673 130 2HG1 ILE 17 2HG1 ILE 17 0.817 5.326 6.154 131 1HG2 ILE 17 1HG2 ILE 17 -1.307 5.910 9.330 132 2HG2 ILE 17 2HG2 ILE 17 0.143 6.212 10.287 133 3HG2 ILE 17 3HG2 ILE 17 -0.316 7.365 9.008 134 1HD1 ILE 17 1HD1 ILE 17 -2.020 5.802 7.128 135 2HD1 ILE 17 2HD1 ILE 17 -1.506 5.481 5.457 136 3HD1 ILE 17 3HD1 ILE 17 -1.343 4.214 6.691 137 H SER 18 H SER 18 3.309 6.834 6.586 138 HA SER 18 HA SER 18 4.119 9.328 7.794 139 1HB SER 18 1HB SER 18 5.148 8.146 5.711 140 2HB SER 18 2HB SER 18 3.664 8.706 4.880 141 HG SER 18 HG SER 18 5.883 10.149 5.756 142 H GLU 19 H GLU 19 3.384 11.347 6.555 143 HA GLU 19 HA GLU 19 0.400 11.350 6.759 144 1HB GLU 19 1HB GLU 19 2.405 13.630 6.864 145 2HB GLU 19 2HB GLU 19 0.704 13.924 6.642 146 1HG GLU 19 1HG GLU 19 0.502 14.022 8.851 147 2HG GLU 19 2HG GLU 19 0.568 12.267 8.842 148 H HIS 20 H HIS 20 2.866 11.293 4.438 149 HA HIS 20 HA HIS 20 0.986 12.281 2.363 150 1HB HIS 20 1HB HIS 20 3.933 12.963 2.582 151 2HB HIS 20 2HB HIS 20 2.855 13.475 1.286 152 HD1 HIS 20 1HD HIS 20 4.096 14.583 4.664 153 HD2 HIS 20 2HD HIS 20 0.631 15.068 2.253 154 HE1 HIS 20 1HE HIS 20 2.851 16.592 5.561 155 HE2 HIS 20 2HE HIS 20 0.754 16.939 4.074 156 H PHE 21 H PHE 21 2.291 11.712 0.104 157 HA PHE 21 HA PHE 21 3.143 8.841 0.237 158 1HB PHE 21 1HB PHE 21 0.925 8.894 -0.702 159 2HB PHE 21 2HB PHE 21 1.331 10.271 -1.728 160 HD1 PHE 21 1HD PHE 21 2.273 9.950 -3.942 161 HD2 PHE 21 2HD PHE 21 2.086 6.662 -1.150 162 HE1 PHE 21 1HE PHE 21 3.010 8.345 -5.737 163 HE2 PHE 21 2HE PHE 21 2.818 5.114 -2.937 164 HZ PHE 21 HZ PHE 21 3.302 5.974 -5.215 165 H GLY 22 H GLY 22 3.061 11.767 -1.821 166 1HA GLY 22 1HA GLY 22 4.985 10.895 -3.591 167 2HA GLY 22 2HA GLY 22 4.551 12.586 -3.366 168 H ARG 23 H ARG 23 5.924 11.717 -0.413 169 HA ARG 23 HA ARG 23 8.622 11.331 -1.290 170 1HB ARG 23 1HB ARG 23 9.714 13.142 -0.190 171 2HB ARG 23 2HB ARG 23 8.630 13.770 -1.413 172 1HG ARG 23 1HG ARG 23 7.707 15.154 0.065 173 2HG ARG 23 2HG ARG 23 7.193 13.819 1.082 174 1HD ARG 23 1HD ARG 23 9.339 13.843 2.290 175 2HD ARG 23 2HD ARG 23 9.996 15.030 1.147 176 HE ARG 23 HE ARG 23 7.573 15.846 2.575 177 1HH1 ARG 23 2HH2 ARG 23 11.064 15.519 3.263 178 2HH1 ARG 23 1HH2 ARG 23 11.162 17.077 4.007 179 1HH2 ARG 23 2HH1 ARG 23 7.820 18.022 3.338 180 2HH2 ARG 23 1HH1 ARG 23 9.293 18.463 4.146 181 H ALA 24 H ALA 24 6.772 9.666 0.016 182 HA ALA 24 HA ALA 24 7.226 9.613 2.890 183 1HB ALA 24 1HB ALA 24 6.402 7.307 2.665 184 2HB ALA 24 2HB ALA 24 5.356 8.450 1.793 185 3HB ALA 24 3HB ALA 24 6.495 7.418 0.899 186 HA PRO 25 HA PRO 25 11.445 8.005 2.190 187 1HB PRO 25 1HB PRO 25 12.037 6.934 4.660 188 2HB PRO 25 2HB PRO 25 12.010 8.677 4.298 189 1HG PRO 25 1HG PRO 25 9.813 7.026 5.527 190 2HG PRO 25 2HG PRO 25 10.449 8.610 6.079 191 1HD PRO 25 1HD PRO 25 8.174 8.360 4.597 192 2HD PRO 25 2HD PRO 25 9.303 9.728 4.343 193 H TYR 26 H TYR 26 8.777 5.857 3.071 194 HA TYR 26 HA TYR 26 10.188 3.509 1.931 195 1HB TYR 26 1HB TYR 26 8.791 3.747 4.615 196 2HB TYR 26 2HB TYR 26 9.305 2.253 3.906 197 HD1 TYR 26 1HD TYR 26 10.374 5.045 5.969 198 HD2 TYR 26 2HD TYR 26 11.705 1.734 3.588 199 HE1 TYR 26 1HE TYR 26 12.588 5.190 7.048 200 HE2 TYR 26 2HE TYR 26 13.925 1.844 4.646 201 HH TYR 26 HH TYR 26 14.750 4.186 7.243 202 H PHE 27 H PHE 27 8.556 1.753 1.346 203 HA PHE 27 HA PHE 27 5.710 2.522 1.412 204 1HB PHE 27 1HB PHE 27 7.153 1.427 -1.046 205 2HB PHE 27 2HB PHE 27 5.471 1.359 -0.872 206 HD1 PHE 27 1HD PHE 27 5.076 4.251 0.418 207 HD2 PHE 27 2HD PHE 27 7.264 2.840 -2.995 208 HE1 PHE 27 1HE PHE 27 4.683 6.387 -0.695 209 HE2 PHE 27 2HE PHE 27 6.855 4.994 -4.143 210 HZ PHE 27 HZ PHE 27 5.531 6.782 -2.987 211 H ALA 28 H ALA 28 5.039 1.051 2.888 212 HA ALA 28 HA ALA 28 6.049 -1.709 2.865 213 1HB ALA 28 1HB ALA 28 5.630 -0.757 5.046 214 2HB ALA 28 2HB ALA 28 4.039 -0.138 4.538 215 3HB ALA 28 3HB ALA 28 4.281 -1.878 4.712 216 H PHE 29 H PHE 29 5.396 -2.600 0.915 217 HA PHE 29 HA PHE 29 2.510 -2.614 0.212 218 1HB PHE 29 1HB PHE 29 5.055 -3.267 -1.174 219 2HB PHE 29 2HB PHE 29 3.744 -4.383 -1.473 220 HD1 PHE 29 1HD PHE 29 1.278 -2.865 -1.779 221 HD2 PHE 29 2HD PHE 29 5.275 -1.753 -3.014 222 HE1 PHE 29 1HE PHE 29 0.336 -1.348 -3.427 223 HE2 PHE 29 2HE PHE 29 4.249 -0.490 -4.917 224 HZ PHE 29 HZ PHE 29 1.790 -0.231 -5.074 225 H VAL 30 H VAL 30 1.454 -3.783 1.730 226 HA VAL 30 HA VAL 30 2.544 -6.391 2.670 227 HB VAL 30 HB VAL 30 -0.146 -5.125 3.352 228 1HG1 VAL 30 1HG1 VAL 30 1.681 -7.109 4.793 229 2HG1 VAL 30 2HG1 VAL 30 0.202 -6.421 5.495 230 3HG1 VAL 30 3HG1 VAL 30 0.096 -7.454 4.079 231 1HG2 VAL 30 1HG2 VAL 30 2.549 -4.533 4.638 232 2HG2 VAL 30 2HG2 VAL 30 1.373 -3.373 3.972 233 3HG2 VAL 30 3HG2 VAL 30 1.005 -4.255 5.447 234 H LYS 31 H LYS 31 1.098 -8.343 2.318 235 HA LYS 31 HA LYS 31 -0.530 -8.036 -0.183 236 1HB LYS 31 1HB LYS 31 1.009 -10.482 0.764 237 2HB LYS 31 2HB LYS 31 0.033 -10.338 -0.717 238 1HG LYS 31 1HG LYS 31 1.586 -8.304 -1.256 239 2HG LYS 31 2HG LYS 31 2.647 -8.944 -0.031 240 1HD LYS 31 1HD LYS 31 3.557 -9.908 -1.869 241 2HD LYS 31 2HD LYS 31 2.447 -11.202 -1.387 242 1HE LYS 31 1HE LYS 31 0.788 -10.402 -3.069 243 2HE LYS 31 2HE LYS 31 1.845 -9.025 -3.439 244 1HZ LYS 31 1HZ LYS 31 3.528 -10.628 -4.166 245 2HZ LYS 31 2HZ LYS 31 2.434 -11.846 -4.018 246 3HZ LYS 31 3HZ LYS 31 2.190 -10.614 -5.098 247 H VAL 32 H VAL 32 -1.982 -10.379 -0.051 248 HA VAL 32 HA VAL 32 -2.713 -10.981 2.621 249 HB VAL 32 HB VAL 32 -4.092 -9.009 2.410 250 1HG1 VAL 32 1HG1 VAL 32 -5.326 -10.180 -0.091 251 2HG1 VAL 32 2HG1 VAL 32 -5.845 -8.708 0.754 252 3HG1 VAL 32 3HG1 VAL 32 -4.241 -8.772 0.029 253 1HG2 VAL 32 1HG2 VAL 32 -5.154 -10.774 3.680 254 2HG2 VAL 32 2HG2 VAL 32 -6.354 -9.834 2.814 255 3HG2 VAL 32 3HG2 VAL 32 -5.910 -11.440 2.205 256 H LYS 33 H LYS 33 -3.616 -12.968 2.794 257 HA LYS 33 HA LYS 33 -4.655 -14.478 0.451 258 1HB LYS 33 1HB LYS 33 -2.328 -15.248 0.803 259 2HB LYS 33 2HB LYS 33 -2.627 -15.371 2.540 260 1HG LYS 33 1HG LYS 33 -2.686 -17.546 1.922 261 2HG LYS 33 2HG LYS 33 -4.392 -17.194 1.944 262 1HD LYS 33 1HD LYS 33 -2.703 -17.143 -0.611 263 2HD LYS 33 2HD LYS 33 -3.398 -18.609 0.070 264 1HE LYS 33 1HE LYS 33 -5.666 -17.307 0.051 265 2HE LYS 33 2HE LYS 33 -4.838 -16.223 -1.074 266 1HZ LYS 33 1HZ LYS 33 -5.913 -17.777 -2.359 267 2HZ LYS 33 2HZ LYS 33 -4.392 -18.326 -2.413 268 3HZ LYS 33 3HZ LYS 33 -5.512 -19.068 -1.454 269 H ASN 34 H ASN 34 -6.668 -15.122 1.059 270 HA ASN 34 HA ASN 34 -8.562 -15.212 2.347 271 1HB ASN 34 1HB ASN 34 -6.761 -17.440 3.334 272 2HB ASN 34 2HB ASN 34 -8.478 -17.313 3.735 273 1HD2 ASN 34 1HD2 ASN 34 -8.279 -19.626 2.425 274 2HD2 ASN 34 2HD2 ASN 34 -8.783 -19.334 0.768 275 H ASN 35 H ASN 35 -7.855 -13.069 3.157 276 HA ASN 35 HA ASN 35 -8.102 -11.476 4.651 277 1HB ASN 35 1HB ASN 35 -9.946 -13.288 5.444 278 2HB ASN 35 2HB ASN 35 -8.916 -13.232 6.885 279 1HD2 ASN 35 1HD2 ASN 35 -9.164 -11.380 8.296 280 2HD2 ASN 35 2HD2 ASN 35 -10.391 -10.191 7.940 281 H ALA 36 H ALA 36 -5.487 -13.400 4.897 282 HA ALA 36 HA ALA 36 -4.588 -11.970 7.322 283 1HB ALA 36 1HB ALA 36 -3.117 -13.938 7.787 284 2HB ALA 36 2HB ALA 36 -4.816 -14.451 7.734 285 3HB ALA 36 3HB ALA 36 -3.746 -14.750 6.337 286 H ILE 37 H ILE 37 -2.137 -11.744 7.260 287 HA ILE 37 HA ILE 37 -1.664 -9.900 5.296 288 HB ILE 37 HB ILE 37 -0.077 -11.264 7.469 289 1HG1 ILE 37 1HG1 ILE 37 0.098 -8.980 8.362 290 2HG1 ILE 37 2HG1 ILE 37 -0.701 -8.325 6.924 291 1HG2 ILE 37 1HG2 ILE 37 1.269 -9.352 5.538 292 2HG2 ILE 37 2HG2 ILE 37 1.890 -9.817 7.137 293 3HG2 ILE 37 3HG2 ILE 37 1.720 -11.038 5.882 294 1HD1 ILE 37 1HD1 ILE 37 -2.803 -9.406 7.558 295 2HD1 ILE 37 2HD1 ILE 37 -1.989 -10.276 8.892 296 3HD1 ILE 37 3HD1 ILE 37 -2.158 -8.513 8.938 297 H ALA 38 H ALA 38 -0.839 -13.228 5.045 298 HA ALA 38 HA ALA 38 0.273 -14.540 3.604 299 1HB ALA 38 1HB ALA 38 -0.055 -12.283 1.597 300 2HB ALA 38 2HB ALA 38 0.464 -13.941 1.231 301 3HB ALA 38 3HB ALA 38 -1.161 -13.626 1.870 302 H ASP 39 H ASP 39 1.571 -11.192 3.184 303 HA ASP 39 HA ASP 39 4.334 -12.051 3.609 304 1HB ASP 39 1HB ASP 39 3.573 -12.775 1.248 305 2HB ASP 39 2HB ASP 39 3.399 -11.067 0.878 306 H ILE 40 H ILE 40 5.762 -10.199 3.544 307 HA ILE 40 HA ILE 40 4.571 -7.474 3.729 308 HB ILE 40 HB ILE 40 6.283 -9.038 5.656 309 1HG1 ILE 40 1HG1 ILE 40 3.751 -8.725 5.947 310 2HG1 ILE 40 2HG1 ILE 40 4.808 -8.497 7.327 311 1HG2 ILE 40 1HG2 ILE 40 7.729 -7.182 5.379 312 2HG2 ILE 40 2HG2 ILE 40 6.391 -6.025 5.477 313 3HG2 ILE 40 3HG2 ILE 40 6.882 -6.969 6.900 314 1HD1 ILE 40 1HD1 ILE 40 2.961 -6.790 7.203 315 2HD1 ILE 40 2HD1 ILE 40 4.585 -6.086 7.234 316 3HD1 ILE 40 3HD1 ILE 40 3.694 -6.184 5.698 317 H SER 41 H SER 41 5.517 -6.339 2.008 318 HA SER 41 HA SER 41 8.439 -6.642 1.542 319 1HB SER 41 1HB SER 41 6.071 -5.912 -0.213 320 2HB SER 41 2HB SER 41 7.660 -5.245 -0.568 321 HG SER 41 HG SER 41 8.498 -7.326 -0.662 322 H VAL 42 H VAL 42 9.211 -5.244 3.155 323 HA VAL 42 HA VAL 42 8.032 -2.522 3.234 324 HB VAL 42 HB VAL 42 8.055 -3.584 5.389 325 1HG1 VAL 42 1HG1 VAL 42 10.014 -4.171 6.626 326 2HG1 VAL 42 2HG1 VAL 42 9.884 -5.182 5.184 327 3HG1 VAL 42 3HG1 VAL 42 11.054 -3.845 5.234 328 1HG2 VAL 42 1HG2 VAL 42 9.318 -1.877 6.680 329 2HG2 VAL 42 2HG2 VAL 42 10.013 -1.285 5.163 330 3HG2 VAL 42 3HG2 VAL 42 8.256 -1.225 5.448 331 H GLU 43 H GLU 43 8.785 -1.860 1.252 332 HA GLU 43 HA GLU 43 11.697 -2.126 0.662 333 1HB GLU 43 1HB GLU 43 9.508 -0.940 -1.056 334 2HB GLU 43 2HB GLU 43 11.133 -1.343 -1.570 335 1HG GLU 43 1HG GLU 43 9.103 -3.444 -0.658 336 2HG GLU 43 2HG GLU 43 9.255 -2.883 -2.308 337 H GLU 44 H GLU 44 12.894 -0.183 0.162 338 HA GLU 44 HA GLU 44 12.244 2.215 1.610 339 1HB GLU 44 1HB GLU 44 14.262 1.652 -0.610 340 2HB GLU 44 2HB GLU 44 14.243 3.094 0.401 341 1HG GLU 44 1HG GLU 44 15.035 2.024 2.282 342 2HG GLU 44 2HG GLU 44 14.366 0.472 1.867 343 H ASN 45 H ASN 45 12.076 4.377 0.400 344 HA ASN 45 HA ASN 45 10.536 4.174 -2.146 345 1HB ASN 45 1HB ASN 45 10.666 6.176 -0.059 346 2HB ASN 45 2HB ASN 45 11.198 6.894 -1.566 347 1HD2 ASN 45 1HD2 ASN 45 8.484 5.493 0.117 348 2HD2 ASN 45 2HD2 ASN 45 7.345 5.698 -1.189 349 HA PRO 46 HA PRO 46 14.845 4.437 -3.596 350 1HB PRO 46 1HB PRO 46 14.443 3.921 -6.269 351 2HB PRO 46 2HB PRO 46 14.512 2.675 -4.990 352 1HG PRO 46 1HG PRO 46 12.070 3.865 -6.298 353 2HG PRO 46 2HG PRO 46 12.395 2.165 -5.854 354 1HD PRO 46 1HD PRO 46 10.881 3.909 -4.330 355 2HD PRO 46 2HD PRO 46 11.803 2.558 -3.611 356 H LEU 47 H LEU 47 12.245 6.541 -4.176 357 HA LEU 47 HA LEU 47 14.057 8.636 -5.323 358 1HB LEU 47 1HB LEU 47 11.167 8.090 -5.996 359 2HB LEU 47 2HB LEU 47 12.055 9.497 -6.532 360 HG LEU 47 HG LEU 47 11.725 8.190 -8.349 361 1HD1 LEU 47 1HD1 LEU 47 13.917 9.314 -8.084 362 2HD1 LEU 47 2HD1 LEU 47 14.622 7.762 -7.583 363 3HD1 LEU 47 3HD1 LEU 47 13.946 7.938 -9.213 364 1HD2 LEU 47 1HD2 LEU 47 13.128 5.773 -7.234 365 2HD2 LEU 47 2HD2 LEU 47 11.350 5.970 -7.265 366 3HD2 LEU 47 3HD2 LEU 47 12.288 5.949 -8.771 367 H ALA 48 H ALA 48 13.476 8.191 -2.464 368 HA ALA 48 HA ALA 48 11.118 9.431 -1.561 369 1HB ALA 48 1HB ALA 48 12.298 9.624 0.604 370 2HB ALA 48 2HB ALA 48 12.585 8.033 -0.122 371 3HB ALA 48 3HB ALA 48 13.847 9.275 -0.188 372 H GLN 49 H GLN 49 14.316 10.755 -2.246 373 HA GLN 49 HA GLN 49 13.241 13.495 -2.328 374 1HB GLN 49 1HB GLN 49 14.784 14.342 -0.624 375 2HB GLN 49 2HB GLN 49 13.604 13.192 -0.002 376 1HG GLN 49 1HG GLN 49 15.320 11.452 0.155 377 2HG GLN 49 2HG GLN 49 16.529 12.554 -0.524 378 1HE2 GLN 49 1HE2 GLN 49 17.517 11.810 1.801 379 2HE2 GLN 49 2HE2 GLN 49 17.161 12.944 3.068 380 H ASP 50 H ASP 50 14.570 11.484 -4.141 381 HA ASP 50 HA ASP 50 17.155 12.778 -4.685 382 1HB ASP 50 1HB ASP 50 16.799 10.264 -4.501 383 2HB ASP 50 2HB ASP 50 16.054 10.332 -6.099 384 H HIS 51 H HIS 51 16.502 14.767 -5.565 385 HA HIS 51 HA HIS 51 16.026 16.236 -7.258 386 1HB HIS 51 1HB HIS 51 17.937 14.708 -8.042 387 2HB HIS 51 2HB HIS 51 16.735 13.902 -9.039 388 HD1 HIS 51 1HD HIS 51 15.367 16.015 -10.595 389 HD2 HIS 51 2HD HIS 51 19.477 15.896 -9.728 390 HE1 HIS 51 1HE HIS 51 16.586 17.304 -12.528 391 HE2 HIS 51 2HE HIS 51 19.058 17.109 -12.035 392 H VAL 52 H VAL 52 13.743 14.833 -6.262 393 HA VAL 52 HA VAL 52 12.704 12.984 -7.839 394 HB VAL 52 HB VAL 52 12.297 13.405 -5.464 395 1HG1 VAL 52 1HG1 VAL 52 10.001 15.242 -6.186 396 2HG1 VAL 52 2HG1 VAL 52 10.646 14.831 -4.576 397 3HG1 VAL 52 3HG1 VAL 52 11.583 15.845 -5.676 398 1HG2 VAL 52 1HG2 VAL 52 10.037 12.476 -5.321 399 2HG2 VAL 52 2HG2 VAL 52 9.758 12.863 -7.045 400 3HG2 VAL 52 3HG2 VAL 52 11.009 11.690 -6.559 401 H HIS 53 H HIS 53 11.784 12.831 -9.810 402 HA HIS 53 HA HIS 53 9.744 14.751 -10.624 403 1HB HIS 53 1HB HIS 53 12.390 14.500 -12.034 404 2HB HIS 53 2HB HIS 53 10.929 14.702 -12.992 405 HD1 HIS 53 1HD HIS 53 9.287 16.871 -12.099 406 HD2 HIS 53 2HD HIS 53 13.418 16.819 -11.220 407 HE1 HIS 53 1HE HIS 53 9.952 19.293 -11.525 408 HE2 HIS 53 2HE HIS 53 12.445 19.263 -10.967 409 H GLY 54 H GLY 54 8.225 13.244 -10.480 410 1HA GLY 54 1HA GLY 54 6.710 11.946 -11.598 411 2HA GLY 54 2HA GLY 54 7.795 12.072 -12.974 412 H ALA 55 H ALA 55 9.340 10.407 -10.346 413 HA ALA 55 HA ALA 55 8.732 7.838 -11.750 414 1HB ALA 55 1HB ALA 55 11.285 8.710 -10.417 415 2HB ALA 55 2HB ALA 55 11.014 7.247 -11.332 416 3HB ALA 55 3HB ALA 55 10.932 8.816 -12.153 417 H VAL 56 H VAL 56 8.722 9.288 -8.549 418 HA VAL 56 HA VAL 56 8.920 7.060 -6.905 419 HB VAL 56 HB VAL 56 7.293 9.580 -6.810 420 1HG1 VAL 56 1HG1 VAL 56 5.580 8.150 -5.906 421 2HG1 VAL 56 2HG1 VAL 56 6.774 7.345 -4.860 422 3HG1 VAL 56 3HG1 VAL 56 6.332 9.041 -4.575 423 1HG2 VAL 56 1HG2 VAL 56 9.581 9.657 -6.067 424 2HG2 VAL 56 2HG2 VAL 56 8.495 9.976 -4.711 425 3HG2 VAL 56 3HG2 VAL 56 9.252 8.389 -4.853 426 HA PRO 57 HA PRO 57 4.503 5.519 -7.810 427 1HB PRO 57 1HB PRO 57 3.208 6.534 -10.069 428 2HB PRO 57 2HB PRO 57 2.865 6.995 -8.377 429 1HG PRO 57 1HG PRO 57 4.094 8.578 -10.495 430 2HG PRO 57 2HG PRO 57 3.628 9.080 -8.842 431 1HD PRO 57 1HD PRO 57 6.253 8.379 -9.920 432 2HD PRO 57 2HD PRO 57 5.863 9.147 -8.358 433 H ASN 58 H ASN 58 6.824 6.168 -10.375 434 HA ASN 58 HA ASN 58 5.767 4.196 -12.248 435 1HB ASN 58 1HB ASN 58 7.302 6.170 -12.824 436 2HB ASN 58 2HB ASN 58 8.610 5.227 -12.097 437 1HD2 ASN 58 1HD2 ASN 58 7.168 5.941 -15.061 438 2HD2 ASN 58 2HD2 ASN 58 7.437 4.404 -15.861 439 H PHE 59 H PHE 59 8.252 4.344 -9.677 440 HA PHE 59 HA PHE 59 9.098 1.660 -9.675 441 1HB PHE 59 1HB PHE 59 10.260 3.172 -8.293 442 2HB PHE 59 2HB PHE 59 8.793 3.762 -7.527 443 HD1 PHE 59 1HD PHE 59 8.364 3.067 -5.340 444 HD2 PHE 59 2HD PHE 59 10.569 0.457 -7.998 445 HE1 PHE 59 1HE PHE 59 8.731 1.389 -3.479 446 HE2 PHE 59 2HE PHE 59 10.829 -1.198 -6.171 447 HZ PHE 59 HZ PHE 59 9.909 -0.708 -3.912 448 H VAL 60 H VAL 60 6.435 3.004 -7.538 449 HA VAL 60 HA VAL 60 5.730 0.353 -6.796 450 HB VAL 60 HB VAL 60 3.523 1.469 -6.033 451 1HG1 VAL 60 1HG1 VAL 60 6.137 2.666 -4.982 452 2HG1 VAL 60 2HG1 VAL 60 4.659 2.355 -4.044 453 3HG1 VAL 60 3HG1 VAL 60 5.682 1.019 -4.600 454 1HG2 VAL 60 1HG2 VAL 60 3.475 3.800 -5.746 455 2HG2 VAL 60 2HG2 VAL 60 5.074 3.994 -6.496 456 3HG2 VAL 60 3HG2 VAL 60 3.657 3.462 -7.477 457 H LYS 61 H LYS 61 4.433 2.188 -9.536 458 HA LYS 61 HA LYS 61 2.517 0.236 -10.318 459 1HB LYS 61 1HB LYS 61 4.134 2.153 -11.983 460 2HB LYS 61 2HB LYS 61 2.967 1.030 -12.675 461 1HG LYS 61 1HG LYS 61 1.159 2.049 -11.185 462 2HG LYS 61 2HG LYS 61 2.328 3.264 -10.731 463 1HD LYS 61 1HD LYS 61 1.181 2.643 -13.471 464 2HD LYS 61 2HD LYS 61 0.904 4.044 -12.462 465 1HE LYS 61 1HE LYS 61 2.419 5.054 -13.771 466 2HE LYS 61 2HE LYS 61 3.597 4.248 -12.709 467 1HZ LYS 61 1HZ LYS 61 3.796 4.031 -15.244 468 2HZ LYS 61 2HZ LYS 61 3.994 2.643 -14.371 469 3HZ LYS 61 3HZ LYS 61 2.571 2.981 -15.173 470 H GLU 62 H GLU 62 6.095 -0.043 -10.466 471 HA GLU 62 HA GLU 62 5.872 -2.321 -12.279 472 1HB GLU 62 1HB GLU 62 8.096 -2.604 -12.173 473 2HB GLU 62 2HB GLU 62 7.956 -0.879 -12.035 474 1HG GLU 62 1HG GLU 62 9.122 -0.869 -10.106 475 2HG GLU 62 2HG GLU 62 8.099 -2.095 -9.359 476 H LYS 63 H LYS 63 5.311 -1.749 -8.875 477 HA LYS 63 HA LYS 63 5.950 -4.503 -8.055 478 1HB LYS 63 1HB LYS 63 4.801 -2.193 -6.448 479 2HB LYS 63 2HB LYS 63 5.444 -3.685 -5.799 480 1HG LYS 63 1HG LYS 63 7.084 -1.595 -7.280 481 2HG LYS 63 2HG LYS 63 6.949 -1.698 -5.538 482 1HD LYS 63 1HD LYS 63 7.880 -4.149 -7.036 483 2HD LYS 63 2HD LYS 63 8.974 -2.768 -6.883 484 1HE LYS 63 1HE LYS 63 8.849 -2.803 -4.492 485 2HE LYS 63 2HE LYS 63 7.603 -4.046 -4.482 486 1HZ LYS 63 1HZ LYS 63 10.333 -4.407 -5.616 487 2HZ LYS 63 2HZ LYS 63 10.009 -4.778 -4.086 488 3HZ LYS 63 3HZ LYS 63 9.284 -5.618 -5.321 489 H GLY 64 H GLY 64 3.906 -4.311 -9.938 490 1HA GLY 64 1HA GLY 64 1.740 -5.065 -10.426 491 2HA GLY 64 2HA GLY 64 2.390 -6.355 -9.422 492 H ALA 65 H ALA 65 1.312 -3.173 -8.199 493 HA ALA 65 HA ALA 65 -0.085 -4.481 -6.120 494 1HB ALA 65 1HB ALA 65 0.144 -1.544 -6.916 495 2HB ALA 65 2HB ALA 65 -0.376 -2.166 -5.316 496 3HB ALA 65 3HB ALA 65 1.265 -2.482 -5.911 497 H GLU 66 H GLU 66 -2.266 -3.446 -5.272 498 HA GLU 66 HA GLU 66 -4.339 -3.193 -7.377 499 1HB GLU 66 1HB GLU 66 -4.190 -5.248 -5.182 500 2HB GLU 66 2HB GLU 66 -5.724 -4.738 -5.889 501 1HG GLU 66 1HG GLU 66 -5.503 -6.023 -7.628 502 2HG GLU 66 2HG GLU 66 -3.959 -5.311 -8.086 503 H LEU 67 H LEU 67 -3.353 -2.782 -3.905 504 HA LEU 67 HA LEU 67 -5.313 -0.604 -3.814 505 1HB LEU 67 1HB LEU 67 -6.368 -2.472 -2.648 506 2HB LEU 67 2HB LEU 67 -4.910 -2.768 -1.709 507 HG LEU 67 HG LEU 67 -5.234 -0.631 -0.499 508 1HD1 LEU 67 1HD1 LEU 67 -7.238 0.675 -0.679 509 2HD1 LEU 67 2HD1 LEU 67 -6.555 0.611 -2.296 510 3HD1 LEU 67 3HD1 LEU 67 -7.930 -0.427 -1.884 511 1HD2 LEU 67 1HD2 LEU 67 -7.677 -2.423 -0.528 512 2HD2 LEU 67 2HD2 LEU 67 -6.195 -2.694 0.403 513 3HD2 LEU 67 3HD2 LEU 67 -7.216 -1.311 0.780 514 H VAL 68 H VAL 68 -4.797 1.008 -2.222 515 HA VAL 68 HA VAL 68 -2.092 1.037 -1.082 516 HB VAL 68 HB VAL 68 -3.229 3.488 -2.443 517 1HG1 VAL 68 1HG1 VAL 68 -1.057 4.319 -2.382 518 2HG1 VAL 68 2HG1 VAL 68 -1.152 3.374 -0.868 519 3HG1 VAL 68 3HG1 VAL 68 -0.337 2.700 -2.306 520 1HG2 VAL 68 1HG2 VAL 68 -3.216 1.990 -4.319 521 2HG2 VAL 68 2HG2 VAL 68 -1.815 3.038 -4.460 522 3HG2 VAL 68 3HG2 VAL 68 -1.606 1.363 -3.878 523 H ILE 69 H ILE 69 -2.319 1.800 1.065 524 HA ILE 69 HA ILE 69 -4.815 3.235 1.756 525 HB ILE 69 HB ILE 69 -3.271 1.330 3.530 526 1HG1 ILE 69 1HG1 ILE 69 -6.158 1.068 2.586 527 2HG1 ILE 69 2HG1 ILE 69 -4.813 0.248 1.799 528 1HG2 ILE 69 1HG2 ILE 69 -5.301 1.903 5.059 529 2HG2 ILE 69 2HG2 ILE 69 -4.040 3.110 4.891 530 3HG2 ILE 69 3HG2 ILE 69 -5.573 3.265 3.981 531 1HD1 ILE 69 1HD1 ILE 69 -4.212 -0.799 4.033 532 2HD1 ILE 69 2HD1 ILE 69 -5.738 -0.169 4.666 533 3HD1 ILE 69 3HD1 ILE 69 -5.754 -1.320 3.321 534 H VAL 70 H VAL 70 -4.286 5.270 1.969 535 HA VAL 70 HA VAL 70 -1.590 6.080 2.950 536 HB VAL 70 HB VAL 70 -1.537 7.797 1.229 537 1HG1 VAL 70 1HG1 VAL 70 -2.280 5.208 -0.168 538 2HG1 VAL 70 2HG1 VAL 70 -1.160 6.459 -0.731 539 3HG1 VAL 70 3HG1 VAL 70 -0.739 5.460 0.664 540 1HG2 VAL 70 1HG2 VAL 70 -3.238 7.802 -0.636 541 2HG2 VAL 70 2HG2 VAL 70 -4.232 6.697 0.294 542 3HG2 VAL 70 3HG2 VAL 70 -3.901 8.324 0.929 543 H ARG 71 H ARG 71 -1.599 8.476 3.604 544 HA ARG 71 HA ARG 71 -4.117 9.031 5.035 545 1HB ARG 71 1HB ARG 71 -1.824 8.748 6.142 546 2HB ARG 71 2HB ARG 71 -1.481 10.388 5.603 547 1HG ARG 71 1HG ARG 71 -3.270 11.280 6.949 548 2HG ARG 71 2HG ARG 71 -4.067 9.750 7.042 549 1HD ARG 71 1HD ARG 71 -2.217 8.797 8.394 550 2HD ARG 71 2HD ARG 71 -1.393 10.345 8.430 551 HE ARG 71 HE ARG 71 -3.745 9.467 9.882 552 1HH1 ARG 71 2HH2 ARG 71 -2.327 12.477 8.576 553 2HH1 ARG 71 1HH2 ARG 71 -3.029 13.467 9.804 554 1HH2 ARG 71 2HH1 ARG 71 -4.341 10.771 11.726 555 2HH2 ARG 71 1HH1 ARG 71 -3.986 12.440 11.725 556 H GLY 72 H GLY 72 -1.828 11.623 4.090 557 1HA GLY 72 1HA GLY 72 -4.115 13.063 3.047 558 2HA GLY 72 2HA GLY 72 -2.475 13.659 3.279 559 H ILE 73 H ILE 73 -1.592 11.236 1.567 560 HA ILE 73 HA ILE 73 -0.442 11.420 -0.393 561 HB ILE 73 HB ILE 73 -1.952 9.651 -0.570 562 1HG1 ILE 73 1HG1 ILE 73 -2.228 10.592 -3.358 563 2HG1 ILE 73 2HG1 ILE 73 -0.590 10.638 -2.710 564 1HG2 ILE 73 1HG2 ILE 73 -4.000 11.477 -1.900 565 2HG2 ILE 73 2HG2 ILE 73 -4.056 9.725 -1.963 566 3HG2 ILE 73 3HG2 ILE 73 -4.181 10.572 -0.392 567 1HD1 ILE 73 1HD1 ILE 73 -1.029 8.569 -3.900 568 2HD1 ILE 73 2HD1 ILE 73 -0.782 8.210 -2.182 569 3HD1 ILE 73 3HD1 ILE 73 -2.426 8.208 -2.862 570 H GLY 74 H GLY 74 -2.410 12.309 -2.806 571 1HA GLY 74 1HA GLY 74 -2.518 15.129 -2.838 572 2HA GLY 74 2HA GLY 74 -1.166 14.533 -3.837 573 H ARG 75 H ARG 75 -2.671 15.333 -5.758 574 HA ARG 75 HA ARG 75 -4.575 13.129 -6.522 575 1HB ARG 75 1HB ARG 75 -5.192 15.678 -6.692 576 2HB ARG 75 2HB ARG 75 -4.216 15.642 -8.156 577 1HG ARG 75 1HG ARG 75 -6.713 13.988 -7.535 578 2HG ARG 75 2HG ARG 75 -6.611 15.387 -8.586 579 1HD ARG 75 1HD ARG 75 -4.985 13.991 -10.041 580 2HD ARG 75 2HD ARG 75 -5.516 12.614 -9.073 581 HE ARG 75 HE ARG 75 -7.408 12.489 -10.242 582 1HH1 ARG 75 2HH2 ARG 75 -6.058 15.711 -11.061 583 2HH1 ARG 75 1HH2 ARG 75 -7.394 16.080 -12.101 584 1HH2 ARG 75 2HH1 ARG 75 -9.017 13.009 -11.765 585 2HH2 ARG 75 1HH1 ARG 75 -9.102 14.587 -12.504 586 H ARG 76 H ARG 76 -1.533 14.823 -7.527 587 HA ARG 76 HA ARG 76 -1.487 13.690 -10.064 588 1HB ARG 76 1HB ARG 76 0.682 14.467 -10.303 589 2HB ARG 76 2HB ARG 76 -0.051 15.570 -9.134 590 1HG ARG 76 1HG ARG 76 1.095 14.322 -7.278 591 2HG ARG 76 2HG ARG 76 1.810 13.218 -8.484 592 1HD ARG 76 1HD ARG 76 2.730 15.258 -9.648 593 2HD ARG 76 2HD ARG 76 2.243 16.207 -8.233 594 HE ARG 76 HE ARG 76 3.946 13.786 -7.909 595 1HH1 ARG 76 2HH2 ARG 76 4.037 17.353 -7.940 596 2HH1 ARG 76 1HH2 ARG 76 5.377 17.448 -6.821 597 1HH2 ARG 76 2HH1 ARG 76 5.918 13.938 -6.926 598 2HH2 ARG 76 1HH1 ARG 76 6.643 15.455 -6.548 599 H ALA 77 H ALA 77 -0.757 11.898 -7.203 600 HA ALA 77 HA ALA 77 0.291 9.701 -8.921 601 1HB ALA 77 1HB ALA 77 0.609 10.042 -5.925 602 2HB ALA 77 2HB ALA 77 1.211 8.714 -6.941 603 3HB ALA 77 3HB ALA 77 1.858 10.358 -7.164 604 H ILE 78 H ILE 78 -2.645 10.760 -7.509 605 HA ILE 78 HA ILE 78 -3.845 8.186 -6.965 606 HB ILE 78 HB ILE 78 -5.007 10.753 -8.089 607 1HG1 ILE 78 1HG1 ILE 78 -4.142 10.982 -5.830 608 2HG1 ILE 78 2HG1 ILE 78 -5.876 11.176 -5.947 609 1HG2 ILE 78 1HG2 ILE 78 -7.216 9.779 -7.449 610 2HG2 ILE 78 2HG2 ILE 78 -6.449 9.001 -8.822 611 3HG2 ILE 78 3HG2 ILE 78 -6.424 8.206 -7.238 612 1HD1 ILE 78 1HD1 ILE 78 -4.381 8.792 -4.822 613 2HD1 ILE 78 2HD1 ILE 78 -5.348 9.986 -3.930 614 3HD1 ILE 78 3HD1 ILE 78 -6.153 8.852 -5.013 615 H ALA 79 H ALA 79 -3.101 10.380 -9.771 616 HA ALA 79 HA ALA 79 -4.080 8.872 -11.867 617 1HB ALA 79 1HB ALA 79 -2.489 10.133 -13.242 618 2HB ALA 79 2HB ALA 79 -3.155 11.199 -11.986 619 3HB ALA 79 3HB ALA 79 -1.523 10.520 -11.828 620 H ALA 80 H ALA 80 -1.403 7.856 -9.840 621 HA ALA 80 HA ALA 80 -0.060 6.284 -11.905 622 1HB ALA 80 1HB ALA 80 0.058 6.038 -8.857 623 2HB ALA 80 2HB ALA 80 1.171 5.367 -10.040 624 3HB ALA 80 3HB ALA 80 1.059 7.144 -9.800 625 H PHE 81 H PHE 81 -2.120 5.653 -9.010 626 HA PHE 81 HA PHE 81 -2.476 2.977 -9.465 627 1HB PHE 81 1HB PHE 81 -4.143 5.016 -7.935 628 2HB PHE 81 2HB PHE 81 -4.011 3.316 -7.562 629 HD1 PHE 81 1HD PHE 81 -3.321 5.978 -5.895 630 HD2 PHE 81 2HD PHE 81 -0.939 3.007 -7.922 631 HE1 PHE 81 1HE PHE 81 -1.442 6.420 -4.364 632 HE2 PHE 81 2HE PHE 81 0.974 3.560 -6.490 633 HZ PHE 81 HZ PHE 81 0.722 5.229 -4.660 634 H GLU 82 H GLU 82 -4.463 5.847 -10.427 635 HA GLU 82 HA GLU 82 -6.540 4.428 -11.709 636 1HB GLU 82 1HB GLU 82 -5.238 7.111 -12.233 637 2HB GLU 82 2HB GLU 82 -6.501 6.505 -13.268 638 1HG GLU 82 1HG GLU 82 -7.801 6.128 -10.977 639 2HG GLU 82 2HG GLU 82 -6.690 7.372 -10.395 640 H ALA 83 H ALA 83 -3.092 4.662 -12.765 641 HA ALA 83 HA ALA 83 -3.738 4.212 -15.545 642 1HB ALA 83 1HB ALA 83 -1.602 5.246 -14.651 643 2HB ALA 83 2HB ALA 83 -1.136 3.607 -14.109 644 3HB ALA 83 3HB ALA 83 -1.398 3.919 -15.831 645 H MET 84 H MET 84 -3.756 2.275 -12.736 646 HA MET 84 HA MET 84 -3.975 -0.220 -14.362 647 1HB MET 84 1HB MET 84 -2.954 -1.235 -12.137 648 2HB MET 84 2HB MET 84 -1.990 -0.618 -13.472 649 1HG MET 84 1HG MET 84 -1.536 1.464 -12.286 650 2HG MET 84 2HG MET 84 -2.589 0.986 -10.976 651 1HE MET 84 1HE MET 84 1.279 -1.405 -11.878 652 2HE MET 84 2HE MET 84 -0.257 -1.746 -12.651 653 3HE MET 84 3HE MET 84 0.600 -0.230 -13.034 654 H GLY 85 H GLY 85 -5.851 1.888 -12.790 655 1HA GLY 85 1HA GLY 85 -7.816 1.779 -11.582 656 2HA GLY 85 2HA GLY 85 -8.007 0.133 -12.216 657 H VAL 86 H VAL 86 -5.349 1.363 -10.199 658 HA VAL 86 HA VAL 86 -5.759 -0.732 -8.189 659 HB VAL 86 HB VAL 86 -3.616 1.356 -8.840 660 1HG1 VAL 86 1HG1 VAL 86 -2.220 0.524 -6.982 661 2HG1 VAL 86 2HG1 VAL 86 -3.654 1.383 -6.379 662 3HG1 VAL 86 3HG1 VAL 86 -3.582 -0.379 -6.328 663 1HG2 VAL 86 1HG2 VAL 86 -3.730 -1.673 -8.562 664 2HG2 VAL 86 2HG2 VAL 86 -3.679 -0.783 -10.057 665 3HG2 VAL 86 3HG2 VAL 86 -2.279 -0.770 -8.959 666 H LYS 87 H LYS 87 -7.016 -0.438 -6.530 667 HA LYS 87 HA LYS 87 -8.615 1.936 -6.100 668 1HB LYS 87 1HB LYS 87 -9.293 -0.343 -5.510 669 2HB LYS 87 2HB LYS 87 -8.105 -0.326 -4.192 670 1HG LYS 87 1HG LYS 87 -9.220 1.698 -3.245 671 2HG LYS 87 2HG LYS 87 -10.380 1.704 -4.589 672 1HD LYS 87 1HD LYS 87 -9.994 -0.678 -2.801 673 2HD LYS 87 2HD LYS 87 -11.001 0.680 -2.269 674 1HE LYS 87 1HE LYS 87 -11.481 -0.695 -4.932 675 2HE LYS 87 2HE LYS 87 -12.106 -1.386 -3.434 676 1HZ LYS 87 1HZ LYS 87 -12.825 1.301 -4.464 677 2HZ LYS 87 2HZ LYS 87 -13.765 -0.047 -4.389 678 3HZ LYS 87 3HZ LYS 87 -13.301 0.696 -3.025 679 H VAL 88 H VAL 88 -8.360 3.639 -4.549 680 HA VAL 88 HA VAL 88 -5.871 3.562 -2.941 681 HB VAL 88 HB VAL 88 -6.974 6.182 -3.906 682 1HG1 VAL 88 1HG1 VAL 88 -4.677 6.884 -3.616 683 2HG1 VAL 88 2HG1 VAL 88 -5.132 5.933 -2.190 684 3HG1 VAL 88 3HG1 VAL 88 -4.130 5.209 -3.468 685 1HG2 VAL 88 1HG2 VAL 88 -5.189 4.467 -5.658 686 2HG2 VAL 88 2HG2 VAL 88 -6.815 5.049 -6.054 687 3HG2 VAL 88 3HG2 VAL 88 -5.522 6.216 -5.886 688 H ILE 89 H ILE 89 -6.306 3.710 -0.805 689 HA ILE 89 HA ILE 89 -8.926 4.829 0.063 690 HB ILE 89 HB ILE 89 -7.297 2.416 0.892 691 1HG1 ILE 89 1HG1 ILE 89 -10.252 3.040 0.546 692 2HG1 ILE 89 2HG1 ILE 89 -9.240 2.292 -0.699 693 1HG2 ILE 89 1HG2 ILE 89 -8.458 2.196 2.955 694 2HG2 ILE 89 2HG2 ILE 89 -7.605 3.741 2.999 695 3HG2 ILE 89 3HG2 ILE 89 -9.360 3.708 2.707 696 1HD1 ILE 89 1HD1 ILE 89 -10.558 0.575 0.265 697 2HD1 ILE 89 2HD1 ILE 89 -8.919 0.348 0.913 698 3HD1 ILE 89 3HD1 ILE 89 -10.193 1.090 1.914 699 H LYS 90 H LYS 90 -8.784 6.660 1.126 700 HA LYS 90 HA LYS 90 -6.065 7.643 1.825 701 1HB LYS 90 1HB LYS 90 -8.550 8.997 0.663 702 2HB LYS 90 2HB LYS 90 -7.175 9.870 1.283 703 1HG LYS 90 1HG LYS 90 -6.786 9.931 -0.960 704 2HG LYS 90 2HG LYS 90 -5.725 8.662 -0.393 705 1HD LYS 90 1HD LYS 90 -6.633 8.076 -2.516 706 2HD LYS 90 2HD LYS 90 -7.268 6.961 -1.307 707 1HE LYS 90 1HE LYS 90 -9.385 8.198 -1.273 708 2HE LYS 90 2HE LYS 90 -8.752 9.392 -2.393 709 1HZ LYS 90 1HZ LYS 90 -8.803 7.815 -4.130 710 2HZ LYS 90 2HZ LYS 90 -9.067 6.513 -3.137 711 3HZ LYS 90 3HZ LYS 90 -10.200 7.643 -3.371 712 H GLY 91 H GLY 91 -5.981 9.180 3.589 713 1HA GLY 91 1HA GLY 91 -6.726 10.282 5.476 714 2HA GLY 91 2HA GLY 91 -8.315 9.545 5.313 715 H ALA 92 H ALA 92 -5.693 7.229 5.274 716 HA ALA 92 HA ALA 92 -6.764 5.808 7.464 717 1HB ALA 92 1HB ALA 92 -4.011 5.652 6.162 718 2HB ALA 92 2HB ALA 92 -4.846 4.336 7.027 719 3HB ALA 92 3HB ALA 92 -5.468 4.955 5.477 720 H SER 93 H SER 93 -5.163 4.940 9.364 721 HA SER 93 HA SER 93 -3.178 6.797 10.207 722 1HB SER 93 1HB SER 93 -4.439 7.167 12.470 723 2HB SER 93 2HB SER 93 -4.876 8.176 11.086 724 HG SER 93 HG SER 93 -6.824 7.450 11.208 725 H GLY 94 H GLY 94 -1.873 5.905 11.773 726 1HA GLY 94 1HA GLY 94 -1.662 4.415 13.717 727 2HA GLY 94 2HA GLY 94 -2.626 3.203 12.870 728 H THR 95 H THR 95 -0.817 1.737 13.339 729 HA THR 95 HA THR 95 1.679 2.108 11.841 730 HB THR 95 HB THR 95 2.210 -0.082 12.938 731 HG1 THR 95 1HG THR 95 0.292 -0.347 14.697 732 1HG2 THR 95 1HG2 THR 95 2.564 2.086 14.193 733 2HG2 THR 95 2HG2 THR 95 1.017 1.819 15.013 734 3HG2 THR 95 3HG2 THR 95 2.346 0.663 15.227 735 H VAL 96 H VAL 96 2.292 -0.147 10.597 736 HA VAL 96 HA VAL 96 0.476 -0.174 8.372 737 HB VAL 96 HB VAL 96 3.053 -1.570 9.091 738 1HG1 VAL 96 1HG1 VAL 96 2.963 -2.788 6.876 739 2HG1 VAL 96 2HG1 VAL 96 1.960 -3.491 8.155 740 3HG1 VAL 96 3HG1 VAL 96 1.213 -2.509 6.883 741 1HG2 VAL 96 1HG2 VAL 96 3.831 -0.509 7.144 742 2HG2 VAL 96 2HG2 VAL 96 2.178 -0.144 6.604 743 3HG2 VAL 96 3HG2 VAL 96 2.830 0.667 8.037 744 H GLU 97 H GLU 97 1.306 -2.617 10.855 745 HA GLU 97 HA GLU 97 -0.479 -4.585 9.856 746 1HB GLU 97 1HB GLU 97 -0.602 -5.528 12.196 747 2HB GLU 97 2HB GLU 97 0.936 -5.487 11.379 748 1HG GLU 97 1HG GLU 97 1.525 -3.405 12.691 749 2HG GLU 97 2HG GLU 97 -0.049 -3.530 13.463 750 H GLU 98 H GLU 98 -1.072 -1.834 12.011 751 HA GLU 98 HA GLU 98 -3.754 -2.565 12.699 752 1HB GLU 98 1HB GLU 98 -2.156 -1.135 13.980 753 2HB GLU 98 2HB GLU 98 -2.450 0.187 12.840 754 1HG GLU 98 1HG GLU 98 -4.753 0.356 13.512 755 2HG GLU 98 2HG GLU 98 -4.716 -1.225 14.322 756 H VAL 99 H VAL 99 -2.411 -0.150 10.313 757 HA VAL 99 HA VAL 99 -4.885 0.687 9.271 758 HB VAL 99 HB VAL 99 -2.024 0.511 8.208 759 1HG1 VAL 99 1HG1 VAL 99 -4.332 1.870 6.892 760 2HG1 VAL 99 2HG1 VAL 99 -2.619 2.029 6.405 761 3HG1 VAL 99 3HG1 VAL 99 -3.443 0.477 6.222 762 1HG2 VAL 99 1HG2 VAL 99 -2.659 2.214 10.045 763 2HG2 VAL 99 2HG2 VAL 99 -1.972 2.899 8.569 764 3HG2 VAL 99 3HG2 VAL 99 -3.725 2.963 8.840 765 H VAL 100 H VAL 100 -2.862 -2.145 8.509 766 HA VAL 100 HA VAL 100 -4.349 -3.054 6.200 767 HB VAL 100 HB VAL 100 -2.475 -4.352 8.228 768 1HG1 VAL 100 1HG1 VAL 100 -2.362 -6.398 6.981 769 2HG1 VAL 100 2HG1 VAL 100 -4.024 -6.161 7.507 770 3HG1 VAL 100 3HG1 VAL 100 -3.567 -5.834 5.815 771 1HG2 VAL 100 1HG2 VAL 100 -1.486 -2.863 6.520 772 2HG2 VAL 100 2HG2 VAL 100 -0.964 -4.534 6.343 773 3HG2 VAL 100 3HG2 VAL 100 -2.186 -3.857 5.233 774 H ASN 101 H ASN 101 -4.557 -3.753 9.772 775 HA ASN 101 HA ASN 101 -6.767 -5.563 9.387 776 1HB ASN 101 1HB ASN 101 -5.431 -5.532 11.471 777 2HB ASN 101 2HB ASN 101 -6.081 -3.936 11.864 778 1HD2 ASN 101 1HD2 ASN 101 -6.796 -7.430 11.655 779 2HD2 ASN 101 2HD2 ASN 101 -8.440 -7.330 12.201 780 H GLN 102 H GLN 102 -6.677 -2.028 10.168 781 HA GLN 102 HA GLN 102 -9.422 -1.643 10.489 782 1HB GLN 102 1HB GLN 102 -7.448 0.302 9.177 783 2HB GLN 102 2HB GLN 102 -9.086 0.660 9.672 784 1HG GLN 102 1HG GLN 102 -8.232 -0.194 12.043 785 2HG GLN 102 2HG GLN 102 -6.661 0.230 11.380 786 1HE2 GLN 102 1HE2 GLN 102 -6.031 2.381 11.843 787 2HE2 GLN 102 2HE2 GLN 102 -7.171 3.628 12.226 788 H TYR 103 H TYR 103 -7.604 -1.914 7.423 789 HA TYR 103 HA TYR 103 -9.996 -1.403 5.820 790 1HB TYR 103 1HB TYR 103 -7.961 -0.770 4.933 791 2HB TYR 103 2HB TYR 103 -7.172 -2.308 5.223 792 HD1 TYR 103 1HD TYR 103 -7.165 -4.002 3.479 793 HD2 TYR 103 2HD TYR 103 -10.063 -0.764 3.385 794 HE1 TYR 103 1HE TYR 103 -8.108 -4.924 1.449 795 HE2 TYR 103 2HE TYR 103 -10.961 -1.658 1.250 796 HH TYR 103 HH TYR 103 -10.108 -4.703 -0.176 797 H LEU 104 H LEU 104 -8.232 -4.428 6.748 798 HA LEU 104 HA LEU 104 -9.848 -6.124 5.222 799 1HB LEU 104 1HB LEU 104 -7.996 -6.380 7.629 800 2HB LEU 104 2HB LEU 104 -9.079 -7.716 7.238 801 HG LEU 104 HG LEU 104 -8.305 -7.550 4.881 802 1HD1 LEU 104 1HD1 LEU 104 -5.838 -6.179 5.868 803 2HD1 LEU 104 2HD1 LEU 104 -6.243 -6.684 4.205 804 3HD1 LEU 104 3HD1 LEU 104 -7.147 -5.387 4.968 805 1HD2 LEU 104 1HD2 LEU 104 -7.539 -9.359 6.371 806 2HD2 LEU 104 2HD2 LEU 104 -6.212 -8.882 5.288 807 3HD2 LEU 104 3HD2 LEU 104 -6.228 -8.330 6.980 808 H SER 105 H SER 105 -10.319 -4.544 8.312 809 HA SER 105 HA SER 105 -12.724 -6.065 9.018 810 1HB SER 105 1HB SER 105 -11.389 -3.574 10.156 811 2HB SER 105 2HB SER 105 -12.790 -4.383 10.873 812 HG SER 105 HG SER 105 -10.268 -5.015 11.268 813 H GLY 106 H GLY 106 -11.910 -2.957 7.494 814 1HA GLY 106 1HA GLY 106 -13.289 -2.214 5.664 815 2HA GLY 106 2HA GLY 106 -14.728 -2.779 6.513 816 H GLN 107 H GLN 107 -12.437 -1.204 8.522 817 HA GLN 107 HA GLN 107 -14.243 1.010 9.170 818 1HB GLN 107 1HB GLN 107 -11.273 0.612 9.721 819 2HB GLN 107 2HB GLN 107 -12.245 1.895 10.419 820 1HG GLN 107 1HG GLN 107 -12.919 -1.031 10.903 821 2HG GLN 107 2HG GLN 107 -11.689 -0.192 11.838 822 1HE2 GLN 107 1HE2 GLN 107 -12.387 0.829 13.715 823 2HE2 GLN 107 2HE2 GLN 107 -14.076 1.220 14.007 824 H LEU 108 H LEU 108 -11.330 0.535 7.262 825 HA LEU 108 HA LEU 108 -10.840 3.232 6.589 826 1HB LEU 108 1HB LEU 108 -9.722 0.626 6.005 827 2HB LEU 108 2HB LEU 108 -9.861 1.456 4.504 828 HG LEU 108 HG LEU 108 -7.750 2.049 5.017 829 1HD1 LEU 108 1HD1 LEU 108 -8.877 4.075 6.947 830 2HD1 LEU 108 2HD1 LEU 108 -7.462 4.189 5.906 831 3HD1 LEU 108 3HD1 LEU 108 -9.070 4.249 5.169 832 1HD2 LEU 108 1HD2 LEU 108 -7.594 0.706 7.002 833 2HD2 LEU 108 2HD2 LEU 108 -6.771 2.249 7.237 834 3HD2 LEU 108 3HD2 LEU 108 -8.379 2.004 7.959 835 H LYS 109 H LYS 109 -11.397 4.488 4.908 836 HA LYS 109 HA LYS 109 -13.615 3.545 3.210 837 1HB LYS 109 1HB LYS 109 -13.705 5.456 5.192 838 2HB LYS 109 2HB LYS 109 -13.262 6.472 3.820 839 1HG LYS 109 1HG LYS 109 -15.663 6.470 3.991 840 2HG LYS 109 2HG LYS 109 -15.248 5.515 2.565 841 1HD LYS 109 1HD LYS 109 -15.336 3.449 4.224 842 2HD LYS 109 2HD LYS 109 -16.056 4.534 5.363 843 1HE LYS 109 1HE LYS 109 -17.155 4.058 2.569 844 2HE LYS 109 2HE LYS 109 -17.481 2.982 3.932 845 1HZ LYS 109 1HZ LYS 109 -18.333 5.044 5.105 846 2HZ LYS 109 2HZ LYS 109 -18.379 5.797 3.675 847 3HZ LYS 109 3HZ LYS 109 -19.253 4.442 3.878 848 H ASP 110 H ASP 110 -13.981 4.312 1.185 849 HA ASP 110 HA ASP 110 -11.562 5.057 -0.329 850 1HB ASP 110 1HB ASP 110 -12.699 3.614 -2.152 851 2HB ASP 110 2HB ASP 110 -11.682 2.906 -0.973 852 H SER 111 H SER 111 -12.849 7.147 0.529 853 HA SER 111 HA SER 111 -14.786 8.199 -1.253 854 1HB SER 111 1HB SER 111 -13.683 9.252 0.853 855 2HB SER 111 2HB SER 111 -12.364 9.703 -0.235 856 HG SER 111 HG SER 111 -13.927 10.833 -1.524 857 H ASP 112 H ASP 112 -14.318 9.217 -3.348 858 HA ASP 112 HA ASP 112 -11.488 9.731 -4.167 859 1HB ASP 112 1HB ASP 112 -13.900 8.866 -5.829 860 2HB ASP 112 2HB ASP 112 -12.689 9.943 -6.482 861 H TYR 113 H TYR 113 -11.494 11.697 -5.348 862 HA TYR 113 HA TYR 113 -13.621 13.601 -4.517 863 1HB TYR 113 1HB TYR 113 -10.716 14.374 -4.599 864 2HB TYR 113 2HB TYR 113 -11.999 15.081 -3.609 865 HD1 TYR 113 1HD TYR 113 -9.390 12.686 -4.036 866 HD2 TYR 113 2HD TYR 113 -12.681 13.780 -1.532 867 HE1 TYR 113 1HE TYR 113 -8.296 11.550 -2.068 868 HE2 TYR 113 2HE TYR 113 -11.722 12.607 0.350 869 HH TYR 113 HH TYR 113 -8.320 11.635 0.368 870 H GLU 114 H GLU 114 -12.474 12.393 -7.080 871 HA GLU 114 HA GLU 114 -10.965 14.657 -8.136 872 1HB GLU 114 1HB GLU 114 -11.340 11.933 -9.424 873 2HB GLU 114 2HB GLU 114 -10.304 13.227 -10.019 874 1HG GLU 114 1HG GLU 114 -8.744 12.055 -8.830 875 2HG GLU 114 2HG GLU 114 -9.249 13.221 -7.606 876 H VAL 115 H VAL 115 -11.162 14.992 -10.764 877 HA VAL 115 HA VAL 115 -13.971 15.192 -11.583 878 HB VAL 115 HB VAL 115 -12.010 17.536 -11.531 879 1HG1 VAL 115 1HG1 VAL 115 -14.836 17.347 -12.639 880 2HG1 VAL 115 2HG1 VAL 115 -13.920 18.860 -12.435 881 3HG1 VAL 115 3HG1 VAL 115 -13.356 17.626 -13.556 882 1HG2 VAL 115 1HG2 VAL 115 -13.062 17.216 -9.322 883 2HG2 VAL 115 2HG2 VAL 115 -13.711 18.659 -10.116 884 3HG2 VAL 115 3HG2 VAL 115 -14.661 17.156 -10.087 885 H HIS 116 H HIS 116 -14.188 14.968 -13.769 886 HA HIS 116 HA HIS 116 -11.837 14.378 -15.488 887 1HB HIS 116 1HB HIS 116 -14.855 14.473 -15.979 888 2HB HIS 116 2HB HIS 116 -13.666 14.149 -17.209 889 HD1 HIS 116 1HD HIS 116 -14.208 12.425 -13.650 890 HD2 HIS 116 2HD HIS 116 -13.732 11.664 -17.815 891 HE1 HIS 116 1HE HIS 116 -14.423 9.927 -13.971 892 HE2 HIS 116 2HE HIS 116 -14.122 9.439 -16.489 893 H ASP 117 H ASP 117 -10.786 16.462 -15.402 894 HA ASP 117 HA ASP 117 -10.319 18.617 -15.799 895 1HB ASP 117 1HB ASP 117 -10.504 18.430 -18.076 896 2HB ASP 117 2HB ASP 117 -12.215 18.026 -18.030 897 H HIS 118 H HIS 118 -13.800 18.765 -16.328 898 HA HIS 118 HA HIS 118 -14.760 20.211 -14.145 899 1HB HIS 118 1HB HIS 118 -13.071 21.904 -15.883 900 2HB HIS 118 2HB HIS 118 -14.741 22.429 -15.938 901 HD1 HIS 118 1HD HIS 118 -12.191 21.483 -13.217 902 HD2 HIS 118 2HD HIS 118 -15.691 23.756 -13.890 903 HE1 HIS 118 1HE HIS 118 -12.767 22.696 -10.970 904 HE2 HIS 118 2HE HIS 118 -14.937 24.009 -11.411 905 H HIS 119 H HIS 119 -14.705 20.457 -17.723 906 HA HIS 119 HA HIS 119 -17.321 19.109 -17.775 907 1HB HIS 119 1HB HIS 119 -18.489 20.631 -19.118 908 2HB HIS 119 2HB HIS 119 -17.945 21.495 -17.694 909 HD1 HIS 119 1HD HIS 119 -15.888 23.430 -18.207 910 HD2 HIS 119 2HD HIS 119 -18.111 21.768 -21.389 911 HE1 HIS 119 1HE HIS 119 -15.461 24.871 -20.222 912 HE2 HIS 119 2HE HIS 119 -16.895 23.818 -22.214 913 H HIS 120 H HIS 120 -14.503 20.331 -19.568 914 HA HIS 120 HA HIS 120 -13.663 19.963 -21.559 915 1HB HIS 120 1HB HIS 120 -12.898 18.077 -20.074 916 2HB HIS 120 2HB HIS 120 -14.014 17.019 -20.934 917 HD1 HIS 120 1HD HIS 120 -13.222 16.351 -23.474 918 HD2 HIS 120 2HD HIS 120 -10.903 19.296 -21.461 919 HE1 HIS 120 1HE HIS 120 -11.185 16.883 -24.975 920 HE2 HIS 120 2HE HIS 120 -9.781 18.662 -23.704 921 H HIS 121 H HIS 121 -14.860 20.773 -23.109 922 HA HIS 121 HA HIS 121 -16.390 21.157 -24.632 923 1HB HIS 121 1HB HIS 121 -15.348 19.297 -25.853 924 2HB HIS 121 2HB HIS 121 -16.437 18.150 -25.074 925 HD1 HIS 121 1HD HIS 121 -17.536 21.500 -26.834 926 HD2 HIS 121 2HD HIS 121 -17.949 17.276 -26.925 927 HE1 HIS 121 1HE HIS 121 -19.214 20.997 -28.651 928 HE2 HIS 121 2HE HIS 121 -19.536 18.422 -28.683 929 H GLU 122 H GLU 122 -18.636 21.060 -25.134 930 HA GLU 122 HA GLU 122 -20.057 21.406 -22.713 931 1HB GLU 122 1HB GLU 122 -20.746 21.800 -25.652 932 2HB GLU 122 2HB GLU 122 -21.786 22.295 -24.314 933 1HG GLU 122 1HG GLU 122 -20.409 24.178 -25.201 934 2HG GLU 122 2HG GLU 122 -20.142 23.856 -23.484 935 H HIS 123 H HIS 123 -20.255 19.434 -21.810 936 HA HIS 123 HA HIS 123 -20.841 17.076 -23.182 937 1HB HIS 123 1HB HIS 123 -19.579 17.574 -20.942 938 2HB HIS 123 2HB HIS 123 -21.160 17.444 -20.178 939 HD1 HIS 123 1HD HIS 123 -18.278 15.333 -21.133 940 HD2 HIS 123 2HD HIS 123 -22.511 14.948 -21.008 941 HE1 HIS 123 1HE HIS 123 -18.818 12.834 -21.360 942 HE2 HIS 123 2HE HIS 123 -21.392 12.636 -21.269 943 H HIS 124 H HIS 124 -22.785 17.316 -24.339 944 HA HIS 124 HA HIS 124 -25.345 17.279 -22.871 945 1HB HIS 124 1HB HIS 124 -25.163 17.956 -25.333 946 2HB HIS 124 2HB HIS 124 -24.754 16.268 -25.683 947 HD1 HIS 124 1HD HIS 124 -26.894 14.918 -23.760 948 HD2 HIS 124 2HD HIS 124 -27.582 18.158 -26.378 949 HE1 HIS 124 1HE HIS 124 -29.442 14.873 -24.346 950 HE2 HIS 124 2HE HIS 124 -29.837 16.888 -25.925 Start of MODEL 8 1 1H MET 1 1H MET 1 -2.906 -9.440 -5.295 2 HA MET 1 HA MET 1 -4.166 -7.815 -4.209 3 1HB MET 1 1HB MET 1 -5.787 -9.516 -3.380 4 2HB MET 1 2HB MET 1 -4.762 -9.719 -1.955 5 1HG MET 1 1HG MET 1 -5.450 -7.704 -1.099 6 2HG MET 1 2HG MET 1 -5.238 -6.868 -2.612 7 1HE MET 1 1HE MET 1 -7.205 -8.250 -4.704 8 2HE MET 1 2HE MET 1 -8.692 -7.317 -4.427 9 3HE MET 1 3HE MET 1 -7.118 -6.491 -4.442 10 H ILE 2 H ILE 2 -2.786 -6.289 -3.518 11 HA ILE 2 HA ILE 2 -0.911 -6.821 -1.313 12 HB ILE 2 HB ILE 2 -0.041 -5.374 -3.812 13 1HG1 ILE 2 1HG1 ILE 2 0.290 -8.341 -3.252 14 2HG1 ILE 2 2HG1 ILE 2 -0.488 -7.577 -4.649 15 1HG2 ILE 2 1HG2 ILE 2 2.163 -5.543 -2.942 16 2HG2 ILE 2 2HG2 ILE 2 1.157 -5.071 -1.571 17 3HG2 ILE 2 3HG2 ILE 2 1.684 -6.734 -1.729 18 1HD1 ILE 2 1HD1 ILE 2 1.758 -6.626 -5.293 19 2HD1 ILE 2 2HD1 ILE 2 2.474 -7.663 -4.032 20 3HD1 ILE 2 3HD1 ILE 2 1.605 -8.393 -5.390 21 H ILE 3 H ILE 3 -0.647 -4.935 -0.118 22 HA ILE 3 HA ILE 3 -2.457 -2.622 -0.533 23 HB ILE 3 HB ILE 3 -1.778 -4.295 1.905 24 1HG1 ILE 3 1HG1 ILE 3 -4.577 -3.735 0.870 25 2HG1 ILE 3 2HG1 ILE 3 -3.561 -4.954 0.116 26 1HG2 ILE 3 1HG2 ILE 3 -3.431 -2.751 3.116 27 2HG2 ILE 3 2HG2 ILE 3 -1.852 -2.075 2.776 28 3HG2 ILE 3 3HG2 ILE 3 -3.236 -1.627 1.764 29 1HD1 ILE 3 1HD1 ILE 3 -4.988 -5.938 1.886 30 2HD1 ILE 3 2HD1 ILE 3 -3.272 -6.068 2.318 31 3HD1 ILE 3 3HD1 ILE 3 -4.297 -4.843 3.095 32 H ALA 4 H ALA 4 -1.100 -0.981 -0.952 33 HA ALA 4 HA ALA 4 1.594 -0.820 0.338 34 1HB ALA 4 1HB ALA 4 2.041 0.362 -1.489 35 2HB ALA 4 2HB ALA 4 0.313 0.566 -1.904 36 3HB ALA 4 3HB ALA 4 1.130 1.676 -0.784 37 H ILE 5 H ILE 5 2.249 0.658 1.866 38 HA ILE 5 HA ILE 5 0.343 2.688 2.810 39 HB ILE 5 HB ILE 5 1.803 0.752 4.633 40 1HG1 ILE 5 1HG1 ILE 5 -1.161 1.226 4.128 41 2HG1 ILE 5 2HG1 ILE 5 -0.256 -0.201 3.613 42 1HG2 ILE 5 1HG2 ILE 5 1.735 3.147 5.484 43 2HG2 ILE 5 2HG2 ILE 5 -0.033 3.080 5.349 44 3HG2 ILE 5 3HG2 ILE 5 0.832 2.038 6.494 45 1HD1 ILE 5 1HD1 ILE 5 -1.638 -0.649 5.535 46 2HD1 ILE 5 2HD1 ILE 5 0.088 -0.924 5.854 47 3HD1 ILE 5 3HD1 ILE 5 -0.722 0.514 6.501 48 HA PRO 6 HA PRO 6 4.447 4.717 2.395 49 1HB PRO 6 1HB PRO 6 3.557 7.290 2.782 50 2HB PRO 6 2HB PRO 6 3.431 6.437 1.216 51 1HG PRO 6 1HG PRO 6 1.311 6.933 3.278 52 2HG PRO 6 2HG PRO 6 1.178 6.942 1.493 53 1HD PRO 6 1HD PRO 6 0.456 4.818 3.149 54 2HD PRO 6 2HD PRO 6 0.912 4.624 1.422 55 H VAL 7 H VAL 7 5.806 4.657 4.163 56 HA VAL 7 HA VAL 7 4.669 5.449 6.813 57 HB VAL 7 HB VAL 7 6.354 3.833 7.759 58 1HG1 VAL 7 1HG1 VAL 7 4.301 2.936 8.007 59 2HG1 VAL 7 2HG1 VAL 7 3.892 2.987 6.265 60 3HG1 VAL 7 3HG1 VAL 7 4.969 1.745 6.925 61 1HG2 VAL 7 1HG2 VAL 7 7.227 2.019 6.354 62 2HG2 VAL 7 2HG2 VAL 7 6.574 2.802 4.898 63 3HG2 VAL 7 3HG2 VAL 7 7.817 3.602 5.889 64 H SER 8 H SER 8 6.149 6.340 8.326 65 HA SER 8 HA SER 8 8.114 8.150 7.063 66 1HB SER 8 1HB SER 8 7.238 7.735 9.952 67 2HB SER 8 2HB SER 8 8.413 8.940 9.414 68 HG SER 8 HG SER 8 6.409 9.831 9.622 69 H GLU 9 H GLU 9 8.227 4.911 8.648 70 HA GLU 9 HA GLU 9 11.154 5.142 8.758 71 1HB GLU 9 1HB GLU 9 9.328 4.333 11.072 72 2HB GLU 9 2HB GLU 9 11.077 4.126 11.053 73 1HG GLU 9 1HG GLU 9 11.375 6.585 10.869 74 2HG GLU 9 2HG GLU 9 9.623 6.792 10.962 75 H ASN 10 H ASN 10 12.095 2.977 9.229 76 HA ASN 10 HA ASN 10 10.636 0.884 7.743 77 1HB ASN 10 1HB ASN 10 12.881 -0.176 7.613 78 2HB ASN 10 2HB ASN 10 12.786 1.316 6.733 79 1HD2 ASN 10 1HD2 ASN 10 13.921 3.261 7.708 80 2HD2 ASN 10 2HD2 ASN 10 15.194 3.007 8.844 81 H ARG 11 H ARG 11 9.302 0.072 9.342 82 HA ARG 11 HA ARG 11 10.778 -1.322 11.479 83 1HB ARG 11 1HB ARG 11 8.228 0.202 12.075 84 2HB ARG 11 2HB ARG 11 9.201 -0.721 13.203 85 1HG ARG 11 1HG ARG 11 11.057 1.008 12.800 86 2HG ARG 11 2HG ARG 11 9.882 1.935 11.856 87 1HD ARG 11 1HD ARG 11 8.358 1.988 13.808 88 2HD ARG 11 2HD ARG 11 9.528 1.093 14.770 89 HE ARG 11 HE ARG 11 9.713 3.928 13.798 90 1HH1 ARG 11 2HH2 ARG 11 11.125 1.402 15.966 91 2HH1 ARG 11 1HH2 ARG 11 11.882 2.584 16.956 92 1HH2 ARG 11 2HH1 ARG 11 10.995 5.332 14.859 93 2HH2 ARG 11 1HH1 ARG 11 11.758 4.881 16.366 94 H GLY 12 H GLY 12 9.774 -2.346 8.989 95 1HA GLY 12 1HA GLY 12 8.416 -4.099 8.182 96 2HA GLY 12 2HA GLY 12 8.420 -4.651 9.845 97 H LYS 13 H LYS 13 6.357 -5.358 9.880 98 HA LYS 13 HA LYS 13 4.019 -3.959 9.170 99 1HB LYS 13 1HB LYS 13 2.889 -5.444 10.767 100 2HB LYS 13 2HB LYS 13 3.975 -6.334 9.715 101 1HG LYS 13 1HG LYS 13 4.898 -5.437 12.474 102 2HG LYS 13 2HG LYS 13 3.850 -6.821 12.284 103 1HD LYS 13 1HD LYS 13 5.474 -8.142 11.664 104 2HD LYS 13 2HD LYS 13 6.048 -7.077 10.396 105 1HE LYS 13 1HE LYS 13 7.439 -5.854 12.016 106 2HE LYS 13 2HE LYS 13 6.741 -6.786 13.355 107 1HZ LYS 13 1HZ LYS 13 7.630 -8.796 12.085 108 2HZ LYS 13 2HZ LYS 13 8.473 -7.746 11.153 109 3HZ LYS 13 3HZ LYS 13 8.793 -7.846 12.763 110 H ASP 14 H ASP 14 6.213 -3.155 11.743 111 HA ASP 14 HA ASP 14 4.193 -1.790 13.351 112 1HB ASP 14 1HB ASP 14 7.139 -1.693 13.929 113 2HB ASP 14 2HB ASP 14 5.772 -1.688 15.038 114 H SER 15 H SER 15 5.988 -1.079 10.591 115 HA SER 15 HA SER 15 7.058 1.483 10.755 116 1HB SER 15 1HB SER 15 5.491 0.375 8.511 117 2HB SER 15 2HB SER 15 6.622 1.748 8.506 118 HG SER 15 HG SER 15 7.080 -0.983 8.769 119 HA PRO 16 HA PRO 16 3.330 3.831 11.902 120 1HB PRO 16 1HB PRO 16 4.480 6.279 12.241 121 2HB PRO 16 2HB PRO 16 4.695 4.934 13.409 122 1HG PRO 16 1HG PRO 16 6.603 5.781 11.218 123 2HG PRO 16 2HG PRO 16 6.958 5.459 12.940 124 1HD PRO 16 1HD PRO 16 7.318 3.559 11.003 125 2HD PRO 16 2HD PRO 16 6.771 3.135 12.645 126 H ILE 17 H ILE 17 1.812 4.711 10.431 127 HA ILE 17 HA ILE 17 2.553 5.071 7.728 128 HB ILE 17 HB ILE 17 0.280 4.478 8.607 129 1HG1 ILE 17 1HG1 ILE 17 0.263 6.857 6.712 130 2HG1 ILE 17 2HG1 ILE 17 0.766 5.234 6.259 131 1HG2 ILE 17 1HG2 ILE 17 -1.245 6.100 9.400 132 2HG2 ILE 17 2HG2 ILE 17 0.209 6.337 10.361 133 3HG2 ILE 17 3HG2 ILE 17 -0.144 7.461 9.046 134 1HD1 ILE 17 1HD1 ILE 17 -1.461 4.350 6.809 135 2HD1 ILE 17 2HD1 ILE 17 -2.014 5.996 7.212 136 3HD1 ILE 17 3HD1 ILE 17 -1.522 5.603 5.560 137 H SER 18 H SER 18 2.934 6.913 6.518 138 HA SER 18 HA SER 18 3.922 9.275 7.998 139 1HB SER 18 1HB SER 18 4.898 7.937 5.785 140 2HB SER 18 2HB SER 18 3.928 9.210 5.029 141 HG SER 18 HG SER 18 5.901 9.589 7.078 142 H GLU 19 H GLU 19 3.378 11.376 6.612 143 HA GLU 19 HA GLU 19 0.415 11.492 6.897 144 1HB GLU 19 1HB GLU 19 1.889 14.031 6.270 145 2HB GLU 19 2HB GLU 19 0.574 13.739 7.366 146 1HG GLU 19 1HG GLU 19 2.386 14.469 8.678 147 2HG GLU 19 2HG GLU 19 2.227 12.727 8.986 148 H HIS 20 H HIS 20 2.826 11.539 4.404 149 HA HIS 20 HA HIS 20 0.834 12.328 2.313 150 1HB HIS 20 1HB HIS 20 3.809 13.028 2.582 151 2HB HIS 20 2HB HIS 20 2.852 13.364 1.179 152 HD1 HIS 20 1HD HIS 20 4.225 15.794 2.219 153 HD2 HIS 20 2HD HIS 20 0.402 14.536 3.522 154 HE1 HIS 20 1HE HIS 20 3.088 17.830 3.284 155 HE2 HIS 20 2HE HIS 20 0.797 17.074 4.093 156 H PHE 21 H PHE 21 2.226 11.777 0.134 157 HA PHE 21 HA PHE 21 3.155 8.912 0.332 158 1HB PHE 21 1HB PHE 21 0.951 8.882 -0.645 159 2HB PHE 21 2HB PHE 21 1.323 10.235 -1.696 160 HD1 PHE 21 1HD PHE 21 2.477 9.952 -3.797 161 HD2 PHE 21 2HD PHE 21 1.973 6.597 -1.125 162 HE1 PHE 21 1HE PHE 21 2.974 8.338 -5.679 163 HE2 PHE 21 2HE PHE 21 2.683 5.071 -2.967 164 HZ PHE 21 HZ PHE 21 3.187 5.955 -5.199 165 H GLY 22 H GLY 22 3.220 11.985 -1.594 166 1HA GLY 22 1HA GLY 22 4.964 11.064 -3.522 167 2HA GLY 22 2HA GLY 22 4.689 12.769 -3.100 168 H ARG 23 H ARG 23 5.903 12.111 -0.307 169 HA ARG 23 HA ARG 23 8.672 11.429 -1.065 170 1HB ARG 23 1HB ARG 23 9.609 13.301 0.248 171 2HB ARG 23 2HB ARG 23 8.647 13.844 -1.096 172 1HG ARG 23 1HG ARG 23 7.717 15.267 0.337 173 2HG ARG 23 2HG ARG 23 6.740 13.907 0.863 174 1HD ARG 23 1HD ARG 23 8.602 13.464 2.604 175 2HD ARG 23 2HD ARG 23 9.211 15.078 2.188 176 HE ARG 23 HE ARG 23 6.741 15.733 2.708 177 1HH1 ARG 23 2HH2 ARG 23 8.780 13.470 4.516 178 2HH1 ARG 23 1HH2 ARG 23 7.927 13.649 5.996 179 1HH2 ARG 23 2HH1 ARG 23 5.570 15.962 4.799 180 2HH2 ARG 23 1HH1 ARG 23 5.745 14.695 5.940 181 H ALA 24 H ALA 24 6.664 9.763 0.062 182 HA ALA 24 HA ALA 24 7.135 9.515 2.932 183 1HB ALA 24 1HB ALA 24 5.101 8.644 1.881 184 2HB ALA 24 2HB ALA 24 6.066 7.543 0.853 185 3HB ALA 24 3HB ALA 24 6.051 7.329 2.612 186 HA PRO 25 HA PRO 25 11.219 7.900 1.944 187 1HB PRO 25 1HB PRO 25 11.974 6.870 4.377 188 2HB PRO 25 2HB PRO 25 12.001 8.562 3.960 189 1HG PRO 25 1HG PRO 25 9.832 7.130 5.468 190 2HG PRO 25 2HG PRO 25 10.591 8.692 5.830 191 1HD PRO 25 1HD PRO 25 8.213 8.552 4.565 192 2HD PRO 25 2HD PRO 25 9.412 9.764 4.070 193 H TYR 26 H TYR 26 8.686 5.694 3.104 194 HA TYR 26 HA TYR 26 10.011 3.522 1.619 195 1HB TYR 26 1HB TYR 26 8.901 2.898 4.327 196 2HB TYR 26 2HB TYR 26 9.960 1.972 3.349 197 HD1 TYR 26 1HD TYR 26 12.222 1.837 3.804 198 HD2 TYR 26 2HD TYR 26 9.910 5.048 5.512 199 HE1 TYR 26 1HE TYR 26 14.232 2.702 4.945 200 HE2 TYR 26 2HE TYR 26 11.867 5.825 6.725 201 HH TYR 26 HH TYR 26 15.134 4.758 6.080 202 H PHE 27 H PHE 27 8.422 1.626 1.438 203 HA PHE 27 HA PHE 27 5.589 2.439 1.478 204 1HB PHE 27 1HB PHE 27 6.988 1.346 -0.989 205 2HB PHE 27 2HB PHE 27 5.274 1.377 -0.793 206 HD1 PHE 27 1HD PHE 27 4.669 4.022 0.348 207 HD2 PHE 27 2HD PHE 27 7.584 2.936 -2.634 208 HE1 PHE 27 1HE PHE 27 4.477 6.265 -0.680 209 HE2 PHE 27 2HE PHE 27 7.344 5.153 -3.688 210 HZ PHE 27 HZ PHE 27 5.744 6.819 -2.716 211 H ALA 28 H ALA 28 4.920 1.030 2.933 212 HA ALA 28 HA ALA 28 5.934 -1.698 3.004 213 1HB ALA 28 1HB ALA 28 4.231 -1.866 4.885 214 2HB ALA 28 2HB ALA 28 5.496 -0.633 5.124 215 3HB ALA 28 3HB ALA 28 3.863 -0.155 4.606 216 H PHE 29 H PHE 29 5.328 -2.642 1.036 217 HA PHE 29 HA PHE 29 2.459 -2.736 0.318 218 1HB PHE 29 1HB PHE 29 5.025 -3.303 -1.043 219 2HB PHE 29 2HB PHE 29 3.733 -4.457 -1.373 220 HD1 PHE 29 1HD PHE 29 1.216 -2.971 -1.677 221 HD2 PHE 29 2HD PHE 29 5.223 -1.761 -2.892 222 HE1 PHE 29 1HE PHE 29 0.269 -1.390 -3.213 223 HE2 PHE 29 2HE PHE 29 4.201 -0.409 -4.674 224 HZ PHE 29 HZ PHE 29 1.702 -0.104 -4.759 225 H VAL 30 H VAL 30 1.519 -3.833 1.952 226 HA VAL 30 HA VAL 30 2.628 -6.405 2.957 227 HB VAL 30 HB VAL 30 -0.095 -5.077 3.515 228 1HG1 VAL 30 1HG1 VAL 30 1.585 -7.052 5.123 229 2HG1 VAL 30 2HG1 VAL 30 0.063 -6.314 5.673 230 3HG1 VAL 30 3HG1 VAL 30 0.056 -7.387 4.288 231 1HG2 VAL 30 1HG2 VAL 30 2.551 -4.556 4.950 232 2HG2 VAL 30 2HG2 VAL 30 1.486 -3.359 4.157 233 3HG2 VAL 30 3HG2 VAL 30 0.979 -4.177 5.627 234 H LYS 31 H LYS 31 1.291 -8.391 2.594 235 HA LYS 31 HA LYS 31 -0.079 -8.227 -0.061 236 1HB LYS 31 1HB LYS 31 1.246 -10.522 1.420 237 2HB LYS 31 2HB LYS 31 0.304 -10.706 -0.058 238 1HG LYS 31 1HG LYS 31 1.938 -8.667 -0.844 239 2HG LYS 31 2HG LYS 31 2.959 -9.355 0.365 240 1HD LYS 31 1HD LYS 31 3.543 -10.421 -1.725 241 2HD LYS 31 2HD LYS 31 2.616 -11.623 -0.801 242 1HE LYS 31 1HE LYS 31 0.534 -10.499 -2.061 243 2HE LYS 31 2HE LYS 31 1.773 -9.916 -3.179 244 1HZ LYS 31 1HZ LYS 31 1.403 -12.757 -2.501 245 2HZ LYS 31 2HZ LYS 31 0.693 -12.041 -3.782 246 3HZ LYS 31 3HZ LYS 31 2.332 -12.131 -3.727 247 H VAL 32 H VAL 32 -1.716 -10.290 -0.127 248 HA VAL 32 HA VAL 32 -2.836 -10.845 2.444 249 HB VAL 32 HB VAL 32 -4.743 -10.370 0.101 250 1HG1 VAL 32 1HG1 VAL 32 -5.417 -10.578 3.051 251 2HG1 VAL 32 2HG1 VAL 32 -6.563 -10.352 1.727 252 3HG1 VAL 32 3HG1 VAL 32 -5.663 -11.864 1.844 253 1HG2 VAL 32 1HG2 VAL 32 -4.362 -8.405 2.374 254 2HG2 VAL 32 2HG2 VAL 32 -3.910 -8.119 0.674 255 3HG2 VAL 32 3HG2 VAL 32 -5.601 -8.313 1.122 256 H LYS 33 H LYS 33 -3.712 -12.930 2.433 257 HA LYS 33 HA LYS 33 -4.128 -14.453 -0.009 258 1HB LYS 33 1HB LYS 33 -1.714 -14.996 0.644 259 2HB LYS 33 2HB LYS 33 -2.361 -15.490 2.235 260 1HG LYS 33 1HG LYS 33 -3.881 -17.089 0.606 261 2HG LYS 33 2HG LYS 33 -2.541 -16.789 -0.504 262 1HD LYS 33 1HD LYS 33 -2.113 -18.828 0.663 263 2HD LYS 33 2HD LYS 33 -0.987 -17.617 1.288 264 1HE LYS 33 1HE LYS 33 -2.545 -17.250 3.244 265 2HE LYS 33 2HE LYS 33 -3.603 -18.518 2.590 266 1HZ LYS 33 1HZ LYS 33 -1.870 -20.104 2.947 267 2HZ LYS 33 2HZ LYS 33 -0.782 -18.953 3.358 268 3HZ LYS 33 3HZ LYS 33 -2.058 -19.243 4.356 269 H ASN 34 H ASN 34 -5.933 -15.878 0.518 270 HA ASN 34 HA ASN 34 -7.691 -16.669 1.760 271 1HB ASN 34 1HB ASN 34 -5.361 -17.446 3.509 272 2HB ASN 34 2HB ASN 34 -6.991 -18.050 3.719 273 1HD2 ASN 34 1HD2 ASN 34 -5.926 -20.180 3.493 274 2HD2 ASN 34 2HD2 ASN 34 -5.899 -20.798 1.869 275 H ASN 35 H ASN 35 -7.786 -13.965 2.118 276 HA ASN 35 HA ASN 35 -8.031 -12.181 3.460 277 1HB ASN 35 1HB ASN 35 -9.711 -12.323 5.161 278 2HB ASN 35 2HB ASN 35 -10.272 -12.940 3.579 279 1HD2 ASN 35 1HD2 ASN 35 -9.532 -13.762 6.928 280 2HD2 ASN 35 2HD2 ASN 35 -10.293 -15.344 6.907 281 H ALA 36 H ALA 36 -5.590 -13.373 4.136 282 HA ALA 36 HA ALA 36 -5.457 -12.145 6.759 283 1HB ALA 36 1HB ALA 36 -5.312 -14.675 6.980 284 2HB ALA 36 2HB ALA 36 -3.924 -14.657 5.842 285 3HB ALA 36 3HB ALA 36 -3.797 -13.881 7.449 286 H ILE 37 H ILE 37 -2.960 -11.521 7.131 287 HA ILE 37 HA ILE 37 -2.164 -9.803 5.128 288 HB ILE 37 HB ILE 37 -0.881 -10.911 7.617 289 1HG1 ILE 37 1HG1 ILE 37 -0.698 -8.461 8.178 290 2HG1 ILE 37 2HG1 ILE 37 -1.463 -8.086 6.637 291 1HG2 ILE 37 1HG2 ILE 37 1.118 -10.822 6.208 292 2HG2 ILE 37 2HG2 ILE 37 0.705 -9.216 5.665 293 3HG2 ILE 37 3HG2 ILE 37 1.154 -9.471 7.354 294 1HD1 ILE 37 1HD1 ILE 37 -3.542 -9.187 7.406 295 2HD1 ILE 37 2HD1 ILE 37 -2.713 -9.695 8.901 296 3HD1 ILE 37 3HD1 ILE 37 -3.006 -7.978 8.590 297 H ALA 38 H ALA 38 -1.477 -13.106 5.191 298 HA ALA 38 HA ALA 38 0.101 -14.508 4.341 299 1HB ALA 38 1HB ALA 38 0.522 -14.337 2.007 300 2HB ALA 38 2HB ALA 38 -1.085 -13.647 2.313 301 3HB ALA 38 3HB ALA 38 0.278 -12.577 2.007 302 H ASP 39 H ASP 39 1.362 -11.201 3.617 303 HA ASP 39 HA ASP 39 4.071 -11.965 4.480 304 1HB ASP 39 1HB ASP 39 3.304 -12.592 1.860 305 2HB ASP 39 2HB ASP 39 4.043 -11.006 1.665 306 H ILE 40 H ILE 40 5.619 -10.191 3.918 307 HA ILE 40 HA ILE 40 4.460 -7.463 4.123 308 HB ILE 40 HB ILE 40 6.345 -8.957 5.940 309 1HG1 ILE 40 1HG1 ILE 40 3.880 -8.712 6.480 310 2HG1 ILE 40 2HG1 ILE 40 5.015 -8.266 7.729 311 1HG2 ILE 40 1HG2 ILE 40 7.038 -6.846 7.067 312 2HG2 ILE 40 2HG2 ILE 40 7.741 -7.095 5.470 313 3HG2 ILE 40 3HG2 ILE 40 6.406 -5.949 5.663 314 1HD1 ILE 40 1HD1 ILE 40 3.675 -6.205 5.941 315 2HD1 ILE 40 2HD1 ILE 40 3.028 -6.706 7.516 316 3HD1 ILE 40 3HD1 ILE 40 4.604 -5.927 7.444 317 H SER 41 H SER 41 5.689 -5.895 3.099 318 HA SER 41 HA SER 41 8.386 -6.473 2.073 319 1HB SER 41 1HB SER 41 6.365 -6.833 0.306 320 2HB SER 41 2HB SER 41 6.425 -5.086 0.225 321 HG SER 41 HG SER 41 8.198 -6.968 -0.718 322 H VAL 42 H VAL 42 9.312 -4.907 3.496 323 HA VAL 42 HA VAL 42 7.978 -2.239 3.618 324 HB VAL 42 HB VAL 42 7.954 -3.266 5.754 325 1HG1 VAL 42 1HG1 VAL 42 10.898 -3.782 5.414 326 2HG1 VAL 42 2HG1 VAL 42 10.083 -3.826 6.965 327 3HG1 VAL 42 3HG1 VAL 42 9.601 -4.948 5.688 328 1HG2 VAL 42 1HG2 VAL 42 8.192 -0.923 5.851 329 2HG2 VAL 42 2HG2 VAL 42 9.287 -1.572 7.069 330 3HG2 VAL 42 3HG2 VAL 42 9.931 -0.962 5.530 331 H GLU 43 H GLU 43 8.967 -2.090 1.425 332 HA GLU 43 HA GLU 43 11.918 -2.088 1.434 333 1HB GLU 43 1HB GLU 43 10.003 -1.653 -0.873 334 2HB GLU 43 2HB GLU 43 11.734 -1.973 -0.964 335 1HG GLU 43 1HG GLU 43 9.619 -3.898 0.090 336 2HG GLU 43 2HG GLU 43 10.338 -3.933 -1.505 337 H GLU 44 H GLU 44 13.135 -0.367 0.767 338 HA GLU 44 HA GLU 44 12.347 2.204 1.789 339 1HB GLU 44 1HB GLU 44 14.739 1.278 0.115 340 2HB GLU 44 2HB GLU 44 14.625 2.845 0.952 341 1HG GLU 44 1HG GLU 44 14.464 1.748 3.116 342 2HG GLU 44 2HG GLU 44 14.389 0.151 2.396 343 H ASN 45 H ASN 45 12.014 4.160 0.437 344 HA ASN 45 HA ASN 45 10.690 3.572 -2.131 345 1HB ASN 45 1HB ASN 45 9.717 5.179 -0.554 346 2HB ASN 45 2HB ASN 45 11.161 6.158 -0.631 347 1HD2 ASN 45 1HD2 ASN 45 8.847 7.383 -1.107 348 2HD2 ASN 45 2HD2 ASN 45 8.665 7.751 -2.827 349 HA PRO 46 HA PRO 46 14.739 4.315 -4.083 350 1HB PRO 46 1HB PRO 46 13.989 4.167 -6.739 351 2HB PRO 46 2HB PRO 46 14.320 2.786 -5.691 352 1HG PRO 46 1HG PRO 46 11.636 4.009 -6.394 353 2HG PRO 46 2HG PRO 46 12.090 2.282 -6.319 354 1HD PRO 46 1HD PRO 46 10.764 3.507 -4.300 355 2HD PRO 46 2HD PRO 46 11.973 2.240 -3.973 356 H LEU 47 H LEU 47 11.969 6.355 -4.334 357 HA LEU 47 HA LEU 47 13.622 8.643 -5.350 358 1HB LEU 47 1HB LEU 47 10.787 7.795 -6.128 359 2HB LEU 47 2HB LEU 47 11.473 9.385 -6.481 360 HG LEU 47 HG LEU 47 11.366 8.359 -8.431 361 1HD1 LEU 47 1HD1 LEU 47 14.261 7.928 -7.648 362 2HD1 LEU 47 2HD1 LEU 47 13.607 8.279 -9.251 363 3HD1 LEU 47 3HD1 LEU 47 13.517 9.503 -7.991 364 1HD2 LEU 47 1HD2 LEU 47 12.857 5.871 -7.578 365 2HD2 LEU 47 2HD2 LEU 47 11.080 5.989 -7.671 366 3HD2 LEU 47 3HD2 LEU 47 12.065 6.201 -9.126 367 H ALA 48 H ALA 48 13.210 8.023 -2.575 368 HA ALA 48 HA ALA 48 10.829 9.101 -1.416 369 1HB ALA 48 1HB ALA 48 12.554 7.778 -0.140 370 2HB ALA 48 2HB ALA 48 13.667 9.152 -0.279 371 3HB ALA 48 3HB ALA 48 12.169 9.324 0.612 372 H GLN 49 H GLN 49 13.878 10.637 -2.528 373 HA GLN 49 HA GLN 49 12.687 13.282 -1.956 374 1HB GLN 49 1HB GLN 49 14.398 12.017 -0.272 375 2HB GLN 49 2HB GLN 49 15.559 12.865 -1.291 376 1HG GLN 49 1HG GLN 49 14.479 15.001 -0.746 377 2HG GLN 49 2HG GLN 49 13.160 14.167 0.098 378 1HE2 GLN 49 1HE2 GLN 49 14.105 15.952 1.783 379 2HE2 GLN 49 2HE2 GLN 49 15.333 15.246 2.832 380 H ASP 50 H ASP 50 13.714 11.526 -4.516 381 HA ASP 50 HA ASP 50 15.708 13.522 -5.490 382 1HB ASP 50 1HB ASP 50 16.421 11.144 -4.579 383 2HB ASP 50 2HB ASP 50 15.828 10.588 -6.136 384 H HIS 51 H HIS 51 15.991 13.599 -7.758 385 HA HIS 51 HA HIS 51 15.256 14.374 -9.706 386 1HB HIS 51 1HB HIS 51 13.793 11.734 -9.647 387 2HB HIS 51 2HB HIS 51 13.366 12.913 -10.870 388 HD1 HIS 51 1HD HIS 51 14.251 11.777 -13.006 389 HD2 HIS 51 2HD HIS 51 16.961 11.831 -9.744 390 HE1 HIS 51 1HE HIS 51 16.423 10.682 -13.808 391 HE2 HIS 51 2HE HIS 51 18.100 10.769 -11.828 392 H VAL 52 H VAL 52 12.802 13.738 -7.391 393 HA VAL 52 HA VAL 52 10.726 13.933 -7.098 394 HB VAL 52 HB VAL 52 9.902 16.139 -6.583 395 1HG1 VAL 52 1HG1 VAL 52 11.420 14.919 -5.066 396 2HG1 VAL 52 2HG1 VAL 52 12.799 15.758 -5.774 397 3HG1 VAL 52 3HG1 VAL 52 11.553 16.687 -4.904 398 1HG2 VAL 52 1HG2 VAL 52 11.202 18.144 -6.949 399 2HG2 VAL 52 2HG2 VAL 52 12.445 17.224 -7.849 400 3HG2 VAL 52 3HG2 VAL 52 10.804 17.415 -8.500 401 H HIS 53 H HIS 53 11.476 14.228 -10.212 402 HA HIS 53 HA HIS 53 9.470 15.454 -11.546 403 1HB HIS 53 1HB HIS 53 11.713 13.960 -12.167 404 2HB HIS 53 2HB HIS 53 10.466 12.871 -12.731 405 HD1 HIS 53 1HD HIS 53 12.531 14.092 -14.703 406 HD2 HIS 53 2HD HIS 53 8.784 15.871 -13.748 407 HE1 HIS 53 1HE HIS 53 11.918 15.666 -16.652 408 HE2 HIS 53 2HE HIS 53 9.615 16.688 -16.083 409 H GLY 54 H GLY 54 9.151 12.499 -9.775 410 1HA GLY 54 1HA GLY 54 7.144 11.312 -9.375 411 2HA GLY 54 2HA GLY 54 6.457 11.940 -10.879 412 H ALA 55 H ALA 55 9.394 10.066 -9.874 413 HA ALA 55 HA ALA 55 8.412 7.896 -11.679 414 1HB ALA 55 1HB ALA 55 11.224 8.296 -10.577 415 2HB ALA 55 2HB ALA 55 10.628 6.829 -11.393 416 3HB ALA 55 3HB ALA 55 10.691 8.347 -12.261 417 H VAL 56 H VAL 56 8.480 9.031 -8.443 418 HA VAL 56 HA VAL 56 8.695 6.803 -6.874 419 HB VAL 56 HB VAL 56 7.018 9.295 -6.830 420 1HG1 VAL 56 1HG1 VAL 56 5.871 8.714 -4.709 421 2HG1 VAL 56 2HG1 VAL 56 5.243 7.848 -6.096 422 3HG1 VAL 56 3HG1 VAL 56 6.328 7.009 -4.971 423 1HG2 VAL 56 1HG2 VAL 56 8.885 7.972 -4.865 424 2HG2 VAL 56 2HG2 VAL 56 9.190 9.381 -5.923 425 3HG2 VAL 56 3HG2 VAL 56 8.061 9.529 -4.590 426 HA PRO 57 HA PRO 57 4.339 5.239 -7.971 427 1HB PRO 57 1HB PRO 57 3.142 6.260 -10.305 428 2HB PRO 57 2HB PRO 57 2.721 6.601 -8.592 429 1HG PRO 57 1HG PRO 57 3.876 8.397 -10.523 430 2HG PRO 57 2HG PRO 57 3.442 8.708 -8.817 431 1HD PRO 57 1HD PRO 57 6.068 8.105 -10.029 432 2HD PRO 57 2HD PRO 57 5.705 8.854 -8.458 433 H ASN 58 H ASN 58 6.522 6.034 -10.624 434 HA ASN 58 HA ASN 58 5.705 4.041 -12.509 435 1HB ASN 58 1HB ASN 58 7.189 6.002 -13.019 436 2HB ASN 58 2HB ASN 58 8.476 5.233 -12.062 437 1HD2 ASN 58 1HD2 ASN 58 7.760 5.772 -15.219 438 2HD2 ASN 58 2HD2 ASN 58 8.262 4.208 -15.864 439 H PHE 59 H PHE 59 8.067 4.104 -9.817 440 HA PHE 59 HA PHE 59 8.819 1.368 -9.891 441 1HB PHE 59 1HB PHE 59 10.179 2.799 -8.643 442 2HB PHE 59 2HB PHE 59 8.831 3.565 -7.827 443 HD1 PHE 59 1HD PHE 59 8.224 2.934 -5.669 444 HD2 PHE 59 2HD PHE 59 10.581 0.227 -8.067 445 HE1 PHE 59 1HE PHE 59 8.471 1.375 -3.730 446 HE2 PHE 59 2HE PHE 59 10.884 -1.245 -6.093 447 HZ PHE 59 HZ PHE 59 9.809 -0.653 -3.907 448 H VAL 60 H VAL 60 6.384 2.858 -7.556 449 HA VAL 60 HA VAL 60 5.692 0.276 -6.660 450 HB VAL 60 HB VAL 60 3.554 1.356 -5.789 451 1HG1 VAL 60 1HG1 VAL 60 4.732 2.484 -3.959 452 2HG1 VAL 60 2HG1 VAL 60 5.720 1.090 -4.438 453 3HG1 VAL 60 3HG1 VAL 60 6.156 2.732 -4.949 454 1HG2 VAL 60 1HG2 VAL 60 3.498 3.255 -7.402 455 2HG2 VAL 60 2HG2 VAL 60 3.315 3.677 -5.694 456 3HG2 VAL 60 3HG2 VAL 60 4.875 3.950 -6.474 457 H LYS 61 H LYS 61 4.504 1.823 -9.528 458 HA LYS 61 HA LYS 61 2.256 0.054 -9.933 459 1HB LYS 61 1HB LYS 61 2.603 2.356 -10.989 460 2HB LYS 61 2HB LYS 61 3.870 1.651 -11.986 461 1HG LYS 61 1HG LYS 61 1.556 0.044 -12.383 462 2HG LYS 61 2HG LYS 61 0.946 1.712 -12.342 463 1HD LYS 61 1HD LYS 61 2.152 2.334 -14.251 464 2HD LYS 61 2HD LYS 61 3.316 0.998 -14.084 465 1HE LYS 61 1HE LYS 61 1.622 -0.652 -14.607 466 2HE LYS 61 2HE LYS 61 0.349 0.563 -14.654 467 1HZ LYS 61 1HZ LYS 61 1.193 -0.153 -16.834 468 2HZ LYS 61 2HZ LYS 61 1.261 1.448 -16.621 469 3HZ LYS 61 3HZ LYS 61 2.647 0.525 -16.540 470 H GLU 62 H GLU 62 5.711 -0.414 -10.408 471 HA GLU 62 HA GLU 62 5.180 -2.851 -11.962 472 1HB GLU 62 1HB GLU 62 7.303 -3.045 -12.379 473 2HB GLU 62 2HB GLU 62 7.285 -1.303 -12.098 474 1HG GLU 62 1HG GLU 62 8.384 -1.602 -9.937 475 2HG GLU 62 2HG GLU 62 8.165 -3.350 -10.004 476 H LYS 63 H LYS 63 5.138 -1.927 -8.639 477 HA LYS 63 HA LYS 63 5.925 -4.572 -7.605 478 1HB LYS 63 1HB LYS 63 4.874 -2.107 -6.138 479 2HB LYS 63 2HB LYS 63 5.605 -3.524 -5.402 480 1HG LYS 63 1HG LYS 63 7.047 -1.620 -7.303 481 2HG LYS 63 2HG LYS 63 7.126 -1.518 -5.564 482 1HD LYS 63 1HD LYS 63 7.940 -4.080 -6.986 483 2HD LYS 63 2HD LYS 63 9.013 -2.679 -6.922 484 1HE LYS 63 1HE LYS 63 9.024 -2.693 -4.482 485 2HE LYS 63 2HE LYS 63 7.695 -3.849 -4.436 486 1HZ LYS 63 1HZ LYS 63 9.811 -4.940 -3.980 487 2HZ LYS 63 2HZ LYS 63 9.146 -5.505 -5.365 488 3HZ LYS 63 3HZ LYS 63 10.410 -4.472 -5.448 489 H GLY 64 H GLY 64 3.797 -4.660 -9.285 490 1HA GLY 64 1HA GLY 64 1.942 -5.984 -9.521 491 2HA GLY 64 2HA GLY 64 2.516 -6.688 -8.028 492 H ALA 65 H ALA 65 1.410 -3.428 -7.689 493 HA ALA 65 HA ALA 65 -0.124 -4.354 -5.577 494 1HB ALA 65 1HB ALA 65 1.125 -2.238 -5.766 495 2HB ALA 65 2HB ALA 65 -0.165 -1.582 -6.809 496 3HB ALA 65 3HB ALA 65 -0.508 -2.022 -5.108 497 H GLU 66 H GLU 66 -2.316 -3.631 -4.926 498 HA GLU 66 HA GLU 66 -4.306 -3.383 -7.103 499 1HB GLU 66 1HB GLU 66 -4.216 -5.422 -4.868 500 2HB GLU 66 2HB GLU 66 -5.765 -4.815 -5.426 501 1HG GLU 66 1HG GLU 66 -5.757 -5.955 -7.314 502 2HG GLU 66 2HG GLU 66 -4.094 -5.542 -7.712 503 H LEU 67 H LEU 67 -3.338 -2.903 -3.671 504 HA LEU 67 HA LEU 67 -5.422 -0.857 -3.462 505 1HB LEU 67 1HB LEU 67 -6.030 -3.173 -2.590 506 2HB LEU 67 2HB LEU 67 -4.748 -3.011 -1.412 507 HG LEU 67 HG LEU 67 -7.054 -2.681 -0.600 508 1HD1 LEU 67 1HD1 LEU 67 -4.937 -1.462 0.386 509 2HD1 LEU 67 2HD1 LEU 67 -5.887 -0.013 -0.034 510 3HD1 LEU 67 3HD1 LEU 67 -6.557 -1.247 1.031 511 1HD2 LEU 67 1HD2 LEU 67 -8.033 -1.556 -2.521 512 2HD2 LEU 67 2HD2 LEU 67 -8.348 -0.699 -1.014 513 3HD2 LEU 67 3HD2 LEU 67 -7.119 -0.079 -2.146 514 H VAL 68 H VAL 68 -4.950 0.719 -1.827 515 HA VAL 68 HA VAL 68 -2.204 0.914 -0.772 516 HB VAL 68 HB VAL 68 -3.411 3.192 -2.385 517 1HG1 VAL 68 1HG1 VAL 68 -1.382 3.396 -0.709 518 2HG1 VAL 68 2HG1 VAL 68 -0.470 2.651 -2.043 519 3HG1 VAL 68 3HG1 VAL 68 -1.293 4.173 -2.326 520 1HG2 VAL 68 1HG2 VAL 68 -1.523 1.137 -3.598 521 2HG2 VAL 68 2HG2 VAL 68 -3.211 1.434 -4.055 522 3HG2 VAL 68 3HG2 VAL 68 -2.023 2.680 -4.316 523 H ILE 69 H ILE 69 -2.303 2.169 1.193 524 HA ILE 69 HA ILE 69 -4.891 3.464 1.865 525 HB ILE 69 HB ILE 69 -3.229 1.665 3.680 526 1HG1 ILE 69 1HG1 ILE 69 -5.990 1.093 2.521 527 2HG1 ILE 69 2HG1 ILE 69 -4.485 0.370 1.968 528 1HG2 ILE 69 1HG2 ILE 69 -5.788 3.277 4.100 529 2HG2 ILE 69 2HG2 ILE 69 -5.232 1.997 5.183 530 3HG2 ILE 69 3HG2 ILE 69 -4.230 3.407 4.979 531 1HD1 ILE 69 1HD1 ILE 69 -5.508 -1.226 3.370 532 2HD1 ILE 69 2HD1 ILE 69 -4.118 -0.577 4.258 533 3HD1 ILE 69 3HD1 ILE 69 -5.772 -0.058 4.666 534 H VAL 70 H VAL 70 -4.381 5.572 2.017 535 HA VAL 70 HA VAL 70 -1.706 6.319 3.109 536 HB VAL 70 HB VAL 70 -1.434 7.927 1.362 537 1HG1 VAL 70 1HG1 VAL 70 -2.431 5.444 -0.097 538 2HG1 VAL 70 2HG1 VAL 70 -1.132 6.555 -0.572 539 3HG1 VAL 70 3HG1 VAL 70 -0.915 5.484 0.809 540 1HG2 VAL 70 1HG2 VAL 70 -3.047 8.081 -0.551 541 2HG2 VAL 70 2HG2 VAL 70 -4.186 7.130 0.345 542 3HG2 VAL 70 3HG2 VAL 70 -3.713 8.723 0.975 543 H ARG 71 H ARG 71 -1.758 8.919 3.311 544 HA ARG 71 HA ARG 71 -4.316 9.689 4.677 545 1HB ARG 71 1HB ARG 71 -1.479 10.539 5.408 546 2HB ARG 71 2HB ARG 71 -2.978 11.183 6.102 547 1HG ARG 71 1HG ARG 71 -3.435 8.671 6.657 548 2HG ARG 71 2HG ARG 71 -1.740 8.420 6.367 549 1HD ARG 71 1HD ARG 71 -2.039 8.709 8.683 550 2HD ARG 71 2HD ARG 71 -1.274 10.184 8.133 551 HE ARG 71 HE ARG 71 -4.185 9.723 8.716 552 1HH1 ARG 71 2HH2 ARG 71 -1.471 11.871 9.250 553 2HH1 ARG 71 1HH2 ARG 71 -2.411 13.321 9.456 554 1HH2 ARG 71 2HH1 ARG 71 -5.498 11.586 9.100 555 2HH2 ARG 71 1HH1 ARG 71 -4.790 13.121 9.432 556 H GLY 72 H GLY 72 -1.820 11.990 4.175 557 1HA GLY 72 1HA GLY 72 -3.524 13.448 2.306 558 2HA GLY 72 2HA GLY 72 -2.160 14.098 3.239 559 H ILE 73 H ILE 73 -2.842 11.681 0.778 560 HA ILE 73 HA ILE 73 -0.383 11.871 -0.673 561 HB ILE 73 HB ILE 73 -1.762 9.927 -0.674 562 1HG1 ILE 73 1HG1 ILE 73 -2.131 10.832 -3.524 563 2HG1 ILE 73 2HG1 ILE 73 -0.514 10.602 -2.853 564 1HG2 ILE 73 1HG2 ILE 73 -3.972 11.493 -2.075 565 2HG2 ILE 73 2HG2 ILE 73 -4.017 9.773 -1.721 566 3HG2 ILE 73 3HG2 ILE 73 -4.037 10.913 -0.397 567 1HD1 ILE 73 1HD1 ILE 73 -1.341 8.602 -4.047 568 2HD1 ILE 73 2HD1 ILE 73 -1.000 8.266 -2.340 569 3HD1 ILE 73 3HD1 ILE 73 -2.674 8.459 -2.908 570 H GLY 74 H GLY 74 -0.560 12.511 -3.189 571 1HA GLY 74 1HA GLY 74 -1.884 15.154 -3.500 572 2HA GLY 74 2HA GLY 74 -0.288 14.768 -4.147 573 H ARG 75 H ARG 75 -2.701 15.520 -5.612 574 HA ARG 75 HA ARG 75 -4.152 13.457 -6.809 575 1HB ARG 75 1HB ARG 75 -4.637 15.865 -7.087 576 2HB ARG 75 2HB ARG 75 -3.118 16.080 -7.985 577 1HG ARG 75 1HG ARG 75 -4.908 16.019 -9.565 578 2HG ARG 75 2HG ARG 75 -4.006 14.550 -9.785 579 1HD ARG 75 1HD ARG 75 -5.909 13.339 -9.480 580 2HD ARG 75 2HD ARG 75 -5.966 13.910 -7.821 581 HE ARG 75 HE ARG 75 -7.490 15.534 -8.305 582 1HH1 ARG 75 2HH2 ARG 75 -6.419 13.978 -11.345 583 2HH1 ARG 75 1HH2 ARG 75 -7.513 14.857 -12.343 584 1HH2 ARG 75 2HH1 ARG 75 -8.997 16.714 -9.720 585 2HH2 ARG 75 1HH1 ARG 75 -9.051 16.278 -11.398 586 H ARG 76 H ARG 76 -0.922 14.663 -7.734 587 HA ARG 76 HA ARG 76 -0.691 13.265 -10.171 588 1HB ARG 76 1HB ARG 76 1.690 13.578 -9.989 589 2HB ARG 76 2HB ARG 76 0.826 15.027 -9.426 590 1HG ARG 76 1HG ARG 76 1.080 13.976 -7.033 591 2HG ARG 76 2HG ARG 76 2.272 12.917 -7.772 592 1HD ARG 76 1HD ARG 76 3.598 14.807 -8.485 593 2HD ARG 76 2HD ARG 76 2.283 15.926 -8.030 594 HE ARG 76 HE ARG 76 3.010 14.340 -5.785 595 1HH1 ARG 76 2HH2 ARG 76 4.412 16.985 -7.652 596 2HH1 ARG 76 1HH2 ARG 76 5.055 17.829 -6.280 597 1HH2 ARG 76 2HH1 ARG 76 4.094 15.225 -4.014 598 2HH2 ARG 76 1HH1 ARG 76 4.953 16.731 -4.159 599 H ALA 77 H ALA 77 -0.652 11.961 -6.975 600 HA ALA 77 HA ALA 77 0.638 9.429 -7.840 601 1HB ALA 77 1HB ALA 77 -0.172 10.596 -5.145 602 2HB ALA 77 2HB ALA 77 0.458 8.965 -5.379 603 3HB ALA 77 3HB ALA 77 1.465 10.361 -5.802 604 H ILE 78 H ILE 78 -2.587 10.769 -6.830 605 HA ILE 78 HA ILE 78 -3.950 8.265 -6.777 606 HB ILE 78 HB ILE 78 -5.005 10.909 -7.795 607 1HG1 ILE 78 1HG1 ILE 78 -4.204 11.165 -5.478 608 2HG1 ILE 78 2HG1 ILE 78 -5.941 11.244 -5.617 609 1HG2 ILE 78 1HG2 ILE 78 -6.431 9.163 -8.551 610 2HG2 ILE 78 2HG2 ILE 78 -6.307 8.257 -7.039 611 3HG2 ILE 78 3HG2 ILE 78 -7.217 9.762 -7.106 612 1HD1 ILE 78 1HD1 ILE 78 -5.340 10.043 -3.629 613 2HD1 ILE 78 2HD1 ILE 78 -6.192 8.977 -4.738 614 3HD1 ILE 78 3HD1 ILE 78 -4.416 8.851 -4.571 615 H ALA 79 H ALA 79 -3.037 10.538 -9.398 616 HA ALA 79 HA ALA 79 -4.156 9.236 -11.558 617 1HB ALA 79 1HB ALA 79 -3.173 11.501 -11.485 618 2HB ALA 79 2HB ALA 79 -1.531 10.766 -11.541 619 3HB ALA 79 3HB ALA 79 -2.656 10.549 -12.882 620 H ALA 80 H ALA 80 -1.555 7.916 -9.659 621 HA ALA 80 HA ALA 80 -0.262 6.417 -11.849 622 1HB ALA 80 1HB ALA 80 0.945 7.229 -9.756 623 2HB ALA 80 2HB ALA 80 -0.010 6.083 -8.837 624 3HB ALA 80 3HB ALA 80 1.049 5.453 -10.099 625 H PHE 81 H PHE 81 -2.088 5.666 -8.804 626 HA PHE 81 HA PHE 81 -2.623 3.051 -9.321 627 1HB PHE 81 1HB PHE 81 -4.219 5.126 -7.765 628 2HB PHE 81 2HB PHE 81 -4.155 3.411 -7.430 629 HD1 PHE 81 1HD PHE 81 -3.370 6.080 -5.745 630 HD2 PHE 81 2HD PHE 81 -1.173 2.873 -7.582 631 HE1 PHE 81 1HE PHE 81 -1.562 6.303 -4.054 632 HE2 PHE 81 2HE PHE 81 0.659 3.172 -6.000 633 HZ PHE 81 HZ PHE 81 0.457 4.869 -4.169 634 H GLU 82 H GLU 82 -4.440 6.020 -10.180 635 HA GLU 82 HA GLU 82 -6.703 4.930 -11.419 636 1HB GLU 82 1HB GLU 82 -4.941 7.297 -12.051 637 2HB GLU 82 2HB GLU 82 -6.439 7.012 -12.913 638 1HG GLU 82 1HG GLU 82 -6.634 7.028 -9.910 639 2HG GLU 82 2HG GLU 82 -6.253 8.558 -10.726 640 H ALA 83 H ALA 83 -3.276 4.798 -12.615 641 HA ALA 83 HA ALA 83 -4.146 4.539 -15.394 642 1HB ALA 83 1HB ALA 83 -1.824 4.447 -15.828 643 2HB ALA 83 2HB ALA 83 -1.995 5.633 -14.524 644 3HB ALA 83 3HB ALA 83 -1.441 3.977 -14.153 645 H MET 84 H MET 84 -4.034 2.519 -12.685 646 HA MET 84 HA MET 84 -4.161 0.068 -14.400 647 1HB MET 84 1HB MET 84 -3.167 -1.034 -12.212 648 2HB MET 84 2HB MET 84 -2.142 -0.305 -13.453 649 1HG MET 84 1HG MET 84 -1.885 1.727 -12.134 650 2HG MET 84 2HG MET 84 -2.963 1.052 -10.899 651 1HE MET 84 1HE MET 84 0.646 1.300 -9.415 652 2HE MET 84 2HE MET 84 -0.404 2.362 -10.382 653 3HE MET 84 3HE MET 84 -1.075 1.443 -8.991 654 H GLY 85 H GLY 85 -6.056 2.055 -12.512 655 1HA GLY 85 1HA GLY 85 -7.947 1.712 -11.251 656 2HA GLY 85 2HA GLY 85 -8.097 0.115 -11.988 657 H VAL 86 H VAL 86 -5.362 1.414 -10.094 658 HA VAL 86 HA VAL 86 -5.699 -0.694 -8.024 659 HB VAL 86 HB VAL 86 -3.547 1.353 -8.690 660 1HG1 VAL 86 1HG1 VAL 86 -3.748 1.536 -6.233 661 2HG1 VAL 86 2HG1 VAL 86 -3.674 -0.225 -6.077 662 3HG1 VAL 86 3HG1 VAL 86 -2.265 0.662 -6.677 663 1HG2 VAL 86 1HG2 VAL 86 -3.538 -0.905 -9.748 664 2HG2 VAL 86 2HG2 VAL 86 -2.186 -0.771 -8.592 665 3HG2 VAL 86 3HG2 VAL 86 -3.645 -1.653 -8.163 666 H LYS 87 H LYS 87 -6.786 -0.329 -6.201 667 HA LYS 87 HA LYS 87 -8.251 2.221 -5.989 668 1HB LYS 87 1HB LYS 87 -9.476 0.216 -5.677 669 2HB LYS 87 2HB LYS 87 -8.362 -0.383 -4.436 670 1HG LYS 87 1HG LYS 87 -9.257 0.980 -2.774 671 2HG LYS 87 2HG LYS 87 -9.573 2.288 -3.918 672 1HD LYS 87 1HD LYS 87 -11.646 1.337 -2.957 673 2HD LYS 87 2HD LYS 87 -11.548 1.330 -4.713 674 1HE LYS 87 1HE LYS 87 -10.749 -1.113 -4.520 675 2HE LYS 87 2HE LYS 87 -11.319 -1.054 -2.840 676 1HZ LYS 87 1HZ LYS 87 -13.539 -0.767 -3.613 677 2HZ LYS 87 2HZ LYS 87 -13.050 -0.301 -5.115 678 3HZ LYS 87 3HZ LYS 87 -12.868 -1.851 -4.662 679 H VAL 88 H VAL 88 -7.936 3.766 -4.338 680 HA VAL 88 HA VAL 88 -5.640 3.376 -2.543 681 HB VAL 88 HB VAL 88 -4.730 4.517 -4.361 682 1HG1 VAL 88 1HG1 VAL 88 -6.944 6.597 -4.251 683 2HG1 VAL 88 2HG1 VAL 88 -5.472 6.688 -5.245 684 3HG1 VAL 88 3HG1 VAL 88 -6.641 5.422 -5.538 685 1HG2 VAL 88 1HG2 VAL 88 -5.295 6.595 -2.213 686 2HG2 VAL 88 2HG2 VAL 88 -4.084 5.314 -2.091 687 3HG2 VAL 88 3HG2 VAL 88 -3.916 6.569 -3.335 688 H ILE 89 H ILE 89 -6.584 3.241 -0.708 689 HA ILE 89 HA ILE 89 -8.968 4.746 0.116 690 HB ILE 89 HB ILE 89 -7.114 2.625 1.238 691 1HG1 ILE 89 1HG1 ILE 89 -10.132 2.702 0.765 692 2HG1 ILE 89 2HG1 ILE 89 -8.967 2.088 -0.396 693 1HG2 ILE 89 1HG2 ILE 89 -7.673 4.262 3.121 694 2HG2 ILE 89 2HG2 ILE 89 -9.351 3.754 2.928 695 3HG2 ILE 89 3HG2 ILE 89 -8.105 2.572 3.352 696 1HD1 ILE 89 1HD1 ILE 89 -8.233 0.395 1.251 697 2HD1 ILE 89 2HD1 ILE 89 -9.548 0.933 2.326 698 3HD1 ILE 89 3HD1 ILE 89 -9.927 0.248 0.722 699 H LYS 90 H LYS 90 -8.838 6.300 1.841 700 HA LYS 90 HA LYS 90 -6.199 7.570 2.263 701 1HB LYS 90 1HB LYS 90 -8.807 8.874 1.357 702 2HB LYS 90 2HB LYS 90 -7.478 9.763 2.058 703 1HG LYS 90 1HG LYS 90 -6.827 10.081 -0.062 704 2HG LYS 90 2HG LYS 90 -6.058 8.520 0.205 705 1HD LYS 90 1HD LYS 90 -7.052 8.050 -1.760 706 2HD LYS 90 2HD LYS 90 -8.404 7.584 -0.732 707 1HE LYS 90 1HE LYS 90 -8.085 10.382 -1.908 708 2HE LYS 90 2HE LYS 90 -8.824 9.004 -2.767 709 1HZ LYS 90 1HZ LYS 90 -10.418 10.488 -1.624 710 2HZ LYS 90 2HZ LYS 90 -10.538 8.871 -1.440 711 3HZ LYS 90 3HZ LYS 90 -9.962 9.808 -0.201 712 H GLY 91 H GLY 91 -6.506 9.282 4.069 713 1HA GLY 91 1HA GLY 91 -7.387 10.038 6.042 714 2HA GLY 91 2HA GLY 91 -8.877 9.182 5.623 715 H ALA 92 H ALA 92 -5.957 7.268 5.841 716 HA ALA 92 HA ALA 92 -7.023 5.841 8.175 717 1HB ALA 92 1HB ALA 92 -4.406 5.435 6.666 718 2HB ALA 92 2HB ALA 92 -5.232 4.285 7.754 719 3HB ALA 92 3HB ALA 92 -5.958 4.701 6.197 720 H SER 93 H SER 93 -5.096 5.231 9.853 721 HA SER 93 HA SER 93 -2.975 7.007 10.258 722 1HB SER 93 1HB SER 93 -3.687 7.762 12.556 723 2HB SER 93 2HB SER 93 -4.476 8.573 11.209 724 HG SER 93 HG SER 93 -6.025 6.512 11.863 725 H GLY 94 H GLY 94 -1.573 6.059 11.870 726 1HA GLY 94 1HA GLY 94 -1.431 4.488 13.789 727 2HA GLY 94 2HA GLY 94 -2.450 3.367 12.899 728 H THR 95 H THR 95 -0.593 1.893 13.408 729 HA THR 95 HA THR 95 1.800 2.207 11.750 730 HB THR 95 HB THR 95 2.215 -0.188 12.668 731 HG1 THR 95 1HG THR 95 0.930 -0.891 14.273 732 1HG2 THR 95 1HG2 THR 95 3.243 1.887 13.585 733 2HG2 THR 95 2HG2 THR 95 1.884 2.049 14.702 734 3HG2 THR 95 3HG2 THR 95 2.965 0.636 14.821 735 H VAL 96 H VAL 96 2.384 0.101 10.456 736 HA VAL 96 HA VAL 96 0.643 -0.010 8.250 737 HB VAL 96 HB VAL 96 3.099 -1.508 9.180 738 1HG1 VAL 96 1HG1 VAL 96 1.860 -3.344 8.118 739 2HG1 VAL 96 2HG1 VAL 96 1.522 -2.306 6.721 740 3HG1 VAL 96 3HG1 VAL 96 3.182 -2.806 7.080 741 1HG2 VAL 96 1HG2 VAL 96 4.030 -0.538 7.198 742 2HG2 VAL 96 2HG2 VAL 96 2.436 0.044 6.680 743 3HG2 VAL 96 3HG2 VAL 96 3.182 0.714 8.143 744 H GLU 97 H GLU 97 1.270 -2.558 10.748 745 HA GLU 97 HA GLU 97 -0.650 -4.267 9.630 746 1HB GLU 97 1HB GLU 97 -0.737 -5.519 11.615 747 2HB GLU 97 2HB GLU 97 0.906 -5.109 11.189 748 1HG GLU 97 1HG GLU 97 1.099 -3.526 12.973 749 2HG GLU 97 2HG GLU 97 -0.622 -3.602 13.331 750 H GLU 98 H GLU 98 -1.139 -1.568 11.837 751 HA GLU 98 HA GLU 98 -3.790 -2.207 12.750 752 1HB GLU 98 1HB GLU 98 -2.162 -0.674 13.928 753 2HB GLU 98 2HB GLU 98 -2.305 0.465 12.595 754 1HG GLU 98 1HG GLU 98 -3.713 1.357 14.194 755 2HG GLU 98 2HG GLU 98 -4.846 0.531 13.135 756 H VAL 99 H VAL 99 -2.450 0.086 10.367 757 HA VAL 99 HA VAL 99 -4.887 0.954 9.203 758 HB VAL 99 HB VAL 99 -1.986 0.779 8.284 759 1HG1 VAL 99 1HG1 VAL 99 -4.199 2.261 6.940 760 2HG1 VAL 99 2HG1 VAL 99 -2.479 2.319 6.475 761 3HG1 VAL 99 3HG1 VAL 99 -3.390 0.823 6.248 762 1HG2 VAL 99 1HG2 VAL 99 -2.665 2.434 10.132 763 2HG2 VAL 99 2HG2 VAL 99 -1.953 3.162 8.684 764 3HG2 VAL 99 3HG2 VAL 99 -3.706 3.205 8.912 765 H VAL 100 H VAL 100 -3.146 -2.076 8.826 766 HA VAL 100 HA VAL 100 -4.377 -2.752 6.235 767 HB VAL 100 HB VAL 100 -2.479 -4.118 8.183 768 1HG1 VAL 100 1HG1 VAL 100 -2.418 -6.074 6.672 769 2HG1 VAL 100 2HG1 VAL 100 -3.915 -5.951 7.566 770 3HG1 VAL 100 3HG1 VAL 100 -3.864 -5.459 5.846 771 1HG2 VAL 100 1HG2 VAL 100 -2.324 -3.506 5.198 772 2HG2 VAL 100 2HG2 VAL 100 -1.550 -2.592 6.504 773 3HG2 VAL 100 3HG2 VAL 100 -1.063 -4.256 6.203 774 H ASN 101 H ASN 101 -4.529 -3.744 9.680 775 HA ASN 101 HA ASN 101 -6.638 -5.622 9.450 776 1HB ASN 101 1HB ASN 101 -5.546 -3.831 11.658 777 2HB ASN 101 2HB ASN 101 -7.058 -4.609 11.908 778 1HD2 ASN 101 1HD2 ASN 101 -3.645 -5.173 11.600 779 2HD2 ASN 101 2HD2 ASN 101 -3.610 -6.842 12.095 780 H GLN 102 H GLN 102 -6.754 -2.081 10.086 781 HA GLN 102 HA GLN 102 -9.460 -1.753 10.440 782 1HB GLN 102 1HB GLN 102 -7.506 0.066 9.011 783 2HB GLN 102 2HB GLN 102 -9.138 0.549 9.437 784 1HG GLN 102 1HG GLN 102 -7.486 -0.593 11.681 785 2HG GLN 102 2HG GLN 102 -6.993 0.956 11.011 786 1HE2 GLN 102 1HE2 GLN 102 -9.430 -0.728 12.839 787 2HE2 GLN 102 2HE2 GLN 102 -10.420 0.648 13.277 788 H TYR 103 H TYR 103 -7.699 -2.148 7.374 789 HA TYR 103 HA TYR 103 -10.057 -1.668 5.702 790 1HB TYR 103 1HB TYR 103 -8.162 -0.884 4.742 791 2HB TYR 103 2HB TYR 103 -7.145 -2.210 5.234 792 HD1 TYR 103 1HD TYR 103 -6.934 -4.224 3.906 793 HD2 TYR 103 2HD TYR 103 -9.876 -1.235 2.907 794 HE1 TYR 103 1HE TYR 103 -7.495 -5.486 1.896 795 HE2 TYR 103 2HE TYR 103 -10.427 -2.474 0.821 796 HH TYR 103 HH TYR 103 -9.130 -5.737 0.263 797 H LEU 104 H LEU 104 -8.175 -4.617 6.754 798 HA LEU 104 HA LEU 104 -9.811 -6.397 5.249 799 1HB LEU 104 1HB LEU 104 -8.200 -6.760 7.808 800 2HB LEU 104 2HB LEU 104 -9.215 -8.029 7.115 801 HG LEU 104 HG LEU 104 -7.984 -7.739 4.933 802 1HD1 LEU 104 1HD1 LEU 104 -5.677 -6.926 5.016 803 2HD1 LEU 104 2HD1 LEU 104 -6.824 -5.630 5.368 804 3HD1 LEU 104 3HD1 LEU 104 -5.946 -6.388 6.692 805 1HD2 LEU 104 1HD2 LEU 104 -6.069 -9.134 5.678 806 2HD2 LEU 104 2HD2 LEU 104 -6.418 -8.672 7.366 807 3HD2 LEU 104 3HD2 LEU 104 -7.588 -9.658 6.453 808 H SER 105 H SER 105 -10.372 -4.653 8.219 809 HA SER 105 HA SER 105 -12.894 -6.090 8.792 810 1HB SER 105 1HB SER 105 -11.061 -4.442 10.303 811 2HB SER 105 2HB SER 105 -12.635 -3.673 10.315 812 HG SER 105 HG SER 105 -11.918 -6.284 11.168 813 H GLY 106 H GLY 106 -12.065 -3.819 6.459 814 1HA GLY 106 1HA GLY 106 -13.327 -2.518 5.086 815 2HA GLY 106 2HA GLY 106 -14.758 -3.281 5.782 816 H GLN 107 H GLN 107 -12.623 -1.549 7.980 817 HA GLN 107 HA GLN 107 -14.686 0.474 8.533 818 1HB GLN 107 1HB GLN 107 -11.848 0.045 9.606 819 2HB GLN 107 2HB GLN 107 -12.957 1.263 10.208 820 1HG GLN 107 1HG GLN 107 -13.554 -1.718 10.182 821 2HG GLN 107 2HG GLN 107 -12.855 -0.877 11.569 822 1HE2 GLN 107 1HE2 GLN 107 -15.227 -2.175 12.061 823 2HE2 GLN 107 2HE2 GLN 107 -16.577 -1.045 12.100 824 H LEU 108 H LEU 108 -11.785 0.115 6.719 825 HA LEU 108 HA LEU 108 -11.379 3.011 6.308 826 1HB LEU 108 1HB LEU 108 -9.892 0.488 5.779 827 2HB LEU 108 2HB LEU 108 -9.629 1.736 4.609 828 HG LEU 108 HG LEU 108 -9.343 2.102 7.620 829 1HD1 LEU 108 1HD1 LEU 108 -7.302 1.593 5.448 830 2HD1 LEU 108 2HD1 LEU 108 -6.886 2.030 7.129 831 3HD1 LEU 108 3HD1 LEU 108 -7.717 0.514 6.771 832 1HD2 LEU 108 1HD2 LEU 108 -8.309 3.952 5.425 833 2HD2 LEU 108 2HD2 LEU 108 -9.731 4.291 6.428 834 3HD2 LEU 108 3HD2 LEU 108 -8.157 4.144 7.176 835 H LYS 109 H LYS 109 -11.437 4.014 4.181 836 HA LYS 109 HA LYS 109 -12.590 2.580 1.970 837 1HB LYS 109 1HB LYS 109 -14.520 4.034 1.654 838 2HB LYS 109 2HB LYS 109 -14.648 3.135 3.149 839 1HG LYS 109 1HG LYS 109 -13.430 5.831 3.488 840 2HG LYS 109 2HG LYS 109 -15.056 5.861 2.831 841 1HD LYS 109 1HD LYS 109 -14.341 4.346 5.376 842 2HD LYS 109 2HD LYS 109 -14.849 6.044 5.343 843 1HE LYS 109 1HE LYS 109 -16.945 5.378 4.142 844 2HE LYS 109 2HE LYS 109 -16.482 3.680 4.328 845 1HZ LYS 109 1HZ LYS 109 -16.926 5.551 6.580 846 2HZ LYS 109 2HZ LYS 109 -17.994 4.405 6.081 847 3HZ LYS 109 3HZ LYS 109 -16.582 3.956 6.708 848 H ASP 110 H ASP 110 -12.660 3.959 0.040 849 HA ASP 110 HA ASP 110 -10.651 6.173 -0.020 850 1HB ASP 110 1HB ASP 110 -10.392 4.501 -1.736 851 2HB ASP 110 2HB ASP 110 -12.094 4.557 -2.119 852 H SER 111 H SER 111 -11.920 7.616 1.280 853 HA SER 111 HA SER 111 -13.789 9.128 -0.419 854 1HB SER 111 1HB SER 111 -15.031 9.767 1.633 855 2HB SER 111 2HB SER 111 -15.197 8.047 1.220 856 HG SER 111 HG SER 111 -13.408 9.085 3.164 857 H ASP 112 H ASP 112 -13.886 11.422 0.570 858 HA ASP 112 HA ASP 112 -13.046 13.360 1.311 859 1HB ASP 112 1HB ASP 112 -12.332 12.147 3.357 860 2HB ASP 112 2HB ASP 112 -10.742 11.885 2.633 861 H TYR 113 H TYR 113 -12.685 14.248 -0.692 862 HA TYR 113 HA TYR 113 -9.972 14.162 -1.852 863 1HB TYR 113 1HB TYR 113 -11.587 12.182 -2.570 864 2HB TYR 113 2HB TYR 113 -12.380 13.395 -3.534 865 HD1 TYR 113 1HD TYR 113 -10.600 14.847 -5.031 866 HD2 TYR 113 2HD TYR 113 -10.044 10.807 -3.683 867 HE1 TYR 113 1HE TYR 113 -9.017 14.456 -6.863 868 HE2 TYR 113 2HE TYR 113 -8.434 10.417 -5.452 869 HH TYR 113 HH TYR 113 -8.184 11.633 -7.954 870 H GLU 114 H GLU 114 -9.550 16.005 -3.191 871 HA GLU 114 HA GLU 114 -11.686 18.058 -3.324 872 1HB GLU 114 1HB GLU 114 -9.962 19.682 -3.530 873 2HB GLU 114 2HB GLU 114 -9.454 18.607 -2.239 874 1HG GLU 114 1HG GLU 114 -8.084 17.361 -3.961 875 2HG GLU 114 2HG GLU 114 -8.486 18.628 -5.129 876 H VAL 115 H VAL 115 -12.204 19.115 -5.330 877 HA VAL 115 HA VAL 115 -11.228 17.692 -7.786 878 HB VAL 115 HB VAL 115 -13.323 16.809 -6.808 879 1HG1 VAL 115 1HG1 VAL 115 -15.441 18.004 -7.122 880 2HG1 VAL 115 2HG1 VAL 115 -14.390 18.834 -5.970 881 3HG1 VAL 115 3HG1 VAL 115 -14.567 19.461 -7.618 882 1HG2 VAL 115 1HG2 VAL 115 -13.658 17.924 -9.607 883 2HG2 VAL 115 2HG2 VAL 115 -12.746 16.462 -9.155 884 3HG2 VAL 115 3HG2 VAL 115 -14.485 16.551 -8.872 885 H HIS 116 H HIS 116 -10.414 20.267 -6.659 886 HA HIS 116 HA HIS 116 -11.640 22.196 -8.567 887 1HB HIS 116 1HB HIS 116 -12.260 21.928 -5.960 888 2HB HIS 116 2HB HIS 116 -10.873 22.970 -5.766 889 HD1 HIS 116 1HD HIS 116 -11.819 25.369 -5.508 890 HD2 HIS 116 2HD HIS 116 -13.916 22.959 -8.275 891 HE1 HIS 116 1HE HIS 116 -13.656 26.867 -6.582 892 HE2 HIS 116 2HE HIS 116 -14.903 25.381 -8.292 893 H ASP 117 H ASP 117 -8.897 20.978 -8.914 894 HA ASP 117 HA ASP 117 -7.425 23.580 -8.900 895 1HB ASP 117 1HB ASP 117 -6.495 22.039 -7.170 896 2HB ASP 117 2HB ASP 117 -6.109 20.889 -8.461 897 H HIS 118 H HIS 118 -6.306 24.074 -10.719 898 HA HIS 118 HA HIS 118 -6.632 24.409 -12.949 899 1HB HIS 118 1HB HIS 118 -4.659 22.153 -12.716 900 2HB HIS 118 2HB HIS 118 -4.983 22.950 -14.249 901 HD1 HIS 118 1HD HIS 118 -3.834 25.284 -14.736 902 HD2 HIS 118 2HD HIS 118 -3.530 23.848 -10.742 903 HE1 HIS 118 1HE HIS 118 -2.037 26.662 -13.576 904 HE2 HIS 118 2HE HIS 118 -1.868 25.829 -11.184 905 H HIS 119 H HIS 119 -6.254 21.212 -14.173 906 HA HIS 119 HA HIS 119 -8.795 20.349 -14.316 907 1HB HIS 119 1HB HIS 119 -8.950 22.664 -15.803 908 2HB HIS 119 2HB HIS 119 -8.523 21.541 -17.074 909 HD1 HIS 119 1HD HIS 119 -10.450 19.089 -15.488 910 HD2 HIS 119 2HD HIS 119 -11.425 23.083 -16.590 911 HE1 HIS 119 1HE HIS 119 -12.930 19.165 -15.802 912 HE2 HIS 119 2HE HIS 119 -13.563 21.628 -16.283 913 H HIS 120 H HIS 120 -6.127 20.957 -16.587 914 HA HIS 120 HA HIS 120 -5.276 19.609 -18.316 915 1HB HIS 120 1HB HIS 120 -4.343 18.332 -15.715 916 2HB HIS 120 2HB HIS 120 -3.687 17.965 -17.291 917 HD1 HIS 120 1HD HIS 120 -3.967 21.672 -17.406 918 HD2 HIS 120 2HD HIS 120 -1.400 18.657 -15.890 919 HE1 HIS 120 1HE HIS 120 -1.747 22.803 -16.826 920 HE2 HIS 120 2HE HIS 120 -0.177 20.983 -15.989 921 H HIS 121 H HIS 121 -7.204 18.723 -19.279 922 HA HIS 121 HA HIS 121 -8.232 16.114 -18.419 923 1HB HIS 121 1HB HIS 121 -9.717 17.710 -19.523 924 2HB HIS 121 2HB HIS 121 -8.658 17.760 -20.932 925 HD1 HIS 121 1HD HIS 121 -8.539 15.199 -22.357 926 HD2 HIS 121 2HD HIS 121 -11.563 15.893 -19.446 927 HE1 HIS 121 1HE HIS 121 -10.366 13.545 -22.819 928 HE2 HIS 121 2HE HIS 121 -12.196 13.910 -21.016 929 H GLU 122 H GLU 122 -6.648 14.607 -18.436 930 HA GLU 122 HA GLU 122 -4.812 13.438 -18.899 931 1HB GLU 122 1HB GLU 122 -5.984 13.572 -21.650 932 2HB GLU 122 2HB GLU 122 -4.529 12.641 -21.274 933 1HG GLU 122 1HG GLU 122 -5.691 11.029 -20.126 934 2HG GLU 122 2HG GLU 122 -6.765 12.186 -19.365 935 H HIS 123 H HIS 123 -4.347 15.122 -21.980 936 HA HIS 123 HA HIS 123 -2.832 16.586 -22.737 937 1HB HIS 123 1HB HIS 123 -3.559 17.977 -20.682 938 2HB HIS 123 2HB HIS 123 -2.055 17.454 -19.937 939 HD1 HIS 123 1HD HIS 123 0.282 18.484 -21.142 940 HD2 HIS 123 2HD HIS 123 -3.487 19.747 -22.658 941 HE1 HIS 123 1HE HIS 123 0.700 20.614 -22.487 942 HE2 HIS 123 2HE HIS 123 -1.590 21.336 -23.458 943 H HIS 124 H HIS 124 -1.859 14.594 -23.465 944 HA HIS 124 HA HIS 124 0.712 13.939 -22.340 945 1HB HIS 124 1HB HIS 124 0.274 11.693 -21.892 946 2HB HIS 124 2HB HIS 124 -1.110 12.463 -21.138 947 HD1 HIS 124 1HD HIS 124 -3.218 12.666 -23.484 948 HD2 HIS 124 2HD HIS 124 -0.287 9.614 -23.190 949 HE1 HIS 124 1HE HIS 124 -3.930 10.791 -25.058 950 HE2 HIS 124 2HE HIS 124 -2.164 8.957 -24.905 Start of MODEL 9 1 1H MET 1 1H MET 1 -3.353 -10.238 -3.672 2 HA MET 1 HA MET 1 -4.396 -7.521 -3.998 3 1HB MET 1 1HB MET 1 -6.114 -8.854 -2.786 4 2HB MET 1 2HB MET 1 -4.908 -9.165 -1.526 5 1HG MET 1 1HG MET 1 -6.157 -7.266 -0.782 6 2HG MET 1 2HG MET 1 -4.624 -6.640 -1.302 7 1HE MET 1 1HE MET 1 -8.437 -6.623 -1.634 8 2HE MET 1 2HE MET 1 -8.757 -5.990 -3.261 9 3HE MET 1 3HE MET 1 -8.096 -7.626 -3.062 10 H ILE 2 H ILE 2 -2.988 -6.016 -3.327 11 HA ILE 2 HA ILE 2 -0.971 -6.590 -1.321 12 HB ILE 2 HB ILE 2 -0.177 -5.286 -3.933 13 1HG1 ILE 2 1HG1 ILE 2 0.353 -8.178 -3.141 14 2HG1 ILE 2 2HG1 ILE 2 -0.601 -7.596 -4.512 15 1HG2 ILE 2 1HG2 ILE 2 1.690 -6.441 -1.833 16 2HG2 ILE 2 2HG2 ILE 2 2.051 -5.268 -3.110 17 3HG2 ILE 2 3HG2 ILE 2 1.088 -4.811 -1.711 18 1HD1 ILE 2 1HD1 ILE 2 1.541 -8.275 -5.375 19 2HD1 ILE 2 2HD1 ILE 2 1.457 -6.508 -5.442 20 3HD1 ILE 2 3HD1 ILE 2 2.406 -7.299 -4.184 21 H ILE 3 H ILE 3 -0.558 -4.673 -0.199 22 HA ILE 3 HA ILE 3 -2.470 -2.435 -0.625 23 HB ILE 3 HB ILE 3 -1.799 -4.131 1.818 24 1HG1 ILE 3 1HG1 ILE 3 -4.597 -3.708 0.767 25 2HG1 ILE 3 2HG1 ILE 3 -3.539 -4.806 -0.094 26 1HG2 ILE 3 1HG2 ILE 3 -2.048 -1.858 2.599 27 2HG2 ILE 3 2HG2 ILE 3 -3.470 -1.601 1.574 28 3HG2 ILE 3 3HG2 ILE 3 -3.546 -2.709 2.974 29 1HD1 ILE 3 1HD1 ILE 3 -4.224 -4.993 2.877 30 2HD1 ILE 3 2HD1 ILE 3 -4.906 -5.997 1.585 31 3HD1 ILE 3 3HD1 ILE 3 -3.175 -6.116 1.981 32 H ALA 4 H ALA 4 -1.148 -0.761 -1.021 33 HA ALA 4 HA ALA 4 1.565 -0.638 0.218 34 1HB ALA 4 1HB ALA 4 1.090 1.893 -0.868 35 2HB ALA 4 2HB ALA 4 1.994 0.576 -1.587 36 3HB ALA 4 3HB ALA 4 0.265 0.786 -1.988 37 H ILE 5 H ILE 5 2.149 0.584 1.941 38 HA ILE 5 HA ILE 5 0.289 2.669 2.900 39 HB ILE 5 HB ILE 5 1.685 0.623 4.646 40 1HG1 ILE 5 1HG1 ILE 5 -1.283 1.234 4.355 41 2HG1 ILE 5 2HG1 ILE 5 -0.483 -0.102 3.523 42 1HG2 ILE 5 1HG2 ILE 5 1.753 2.934 5.619 43 2HG2 ILE 5 2HG2 ILE 5 -0.007 3.038 5.415 44 3HG2 ILE 5 3HG2 ILE 5 0.709 1.873 6.549 45 1HD1 ILE 5 1HD1 ILE 5 -0.702 0.154 6.525 46 2HD1 ILE 5 2HD1 ILE 5 -1.620 -0.919 5.462 47 3HD1 ILE 5 3HD1 ILE 5 0.132 -1.141 5.633 48 HA PRO 6 HA PRO 6 4.419 4.593 2.356 49 1HB PRO 6 1HB PRO 6 3.632 7.194 2.755 50 2HB PRO 6 2HB PRO 6 3.399 6.338 1.197 51 1HG PRO 6 1HG PRO 6 1.385 6.873 3.372 52 2HG PRO 6 2HG PRO 6 1.167 6.941 1.598 53 1HD PRO 6 1HD PRO 6 0.448 4.790 3.208 54 2HD PRO 6 2HD PRO 6 0.864 4.617 1.471 55 H VAL 7 H VAL 7 5.718 4.313 4.162 56 HA VAL 7 HA VAL 7 4.620 5.227 6.782 57 HB VAL 7 HB VAL 7 6.082 3.531 7.826 58 1HG1 VAL 7 1HG1 VAL 7 4.466 1.964 7.890 59 2HG1 VAL 7 2HG1 VAL 7 3.547 3.325 7.331 60 3HG1 VAL 7 3HG1 VAL 7 4.037 2.088 6.153 61 1HG2 VAL 7 1HG2 VAL 7 6.445 2.485 4.996 62 2HG2 VAL 7 2HG2 VAL 7 7.639 2.756 6.304 63 3HG2 VAL 7 3HG2 VAL 7 6.513 1.419 6.399 64 H SER 8 H SER 8 6.048 6.111 8.258 65 HA SER 8 HA SER 8 7.973 7.867 6.957 66 1HB SER 8 1HB SER 8 7.274 7.474 9.887 67 2HB SER 8 2HB SER 8 8.238 8.801 9.220 68 HG SER 8 HG SER 8 5.964 9.215 9.580 69 H GLU 9 H GLU 9 8.231 4.726 8.684 70 HA GLU 9 HA GLU 9 11.156 4.921 8.545 71 1HB GLU 9 1HB GLU 9 9.604 4.580 11.153 72 2HB GLU 9 2HB GLU 9 11.323 4.195 10.933 73 1HG GLU 9 1HG GLU 9 11.653 6.548 10.057 74 2HG GLU 9 2HG GLU 9 10.003 6.909 10.579 75 H ASN 10 H ASN 10 12.158 2.921 8.769 76 HA ASN 10 HA ASN 10 10.642 0.891 7.305 77 1HB ASN 10 1HB ASN 10 12.935 1.768 6.664 78 2HB ASN 10 2HB ASN 10 13.618 0.904 8.022 79 1HD2 ASN 10 1HD2 ASN 10 14.437 0.311 5.270 80 2HD2 ASN 10 2HD2 ASN 10 13.692 -1.198 4.815 81 H ARG 11 H ARG 11 9.364 0.551 9.423 82 HA ARG 11 HA ARG 11 10.891 -1.242 11.283 83 1HB ARG 11 1HB ARG 11 8.399 0.320 11.983 84 2HB ARG 11 2HB ARG 11 9.492 -0.559 13.048 85 1HG ARG 11 1HG ARG 11 11.316 1.052 12.210 86 2HG ARG 11 2HG ARG 11 9.998 2.050 11.570 87 1HD ARG 11 1HD ARG 11 9.023 2.178 13.868 88 2HD ARG 11 2HD ARG 11 10.379 1.187 14.453 89 HE ARG 11 HE ARG 11 11.508 3.311 13.060 90 1HH1 ARG 11 2HH2 ARG 11 10.137 2.585 16.200 91 2HH1 ARG 11 1HH2 ARG 11 10.720 4.029 16.979 92 1HH2 ARG 11 2HH1 ARG 11 12.156 5.333 13.969 93 2HH2 ARG 11 1HH1 ARG 11 11.923 5.649 15.633 94 H GLY 12 H GLY 12 9.866 -2.136 8.831 95 1HA GLY 12 1HA GLY 12 8.519 -3.680 7.807 96 2HA GLY 12 2HA GLY 12 8.750 -4.605 9.255 97 H LYS 13 H LYS 13 7.095 -4.958 10.620 98 HA LYS 13 HA LYS 13 4.394 -4.276 9.619 99 1HB LYS 13 1HB LYS 13 3.644 -5.903 11.279 100 2HB LYS 13 2HB LYS 13 4.852 -6.571 10.196 101 1HG LYS 13 1HG LYS 13 6.244 -5.539 12.533 102 2HG LYS 13 2HG LYS 13 4.842 -6.429 13.070 103 1HD LYS 13 1HD LYS 13 6.560 -8.026 13.030 104 2HD LYS 13 2HD LYS 13 5.653 -8.364 11.550 105 1HE LYS 13 1HE LYS 13 7.344 -7.055 10.239 106 2HE LYS 13 2HE LYS 13 8.197 -6.705 11.758 107 1HZ LYS 13 1HZ LYS 13 9.193 -8.523 10.547 108 2HZ LYS 13 2HZ LYS 13 8.712 -8.970 12.021 109 3HZ LYS 13 3HZ LYS 13 7.817 -9.405 10.659 110 H ASP 14 H ASP 14 6.564 -3.096 12.028 111 HA ASP 14 HA ASP 14 4.567 -1.932 13.812 112 1HB ASP 14 1HB ASP 14 7.556 -1.436 13.850 113 2HB ASP 14 2HB ASP 14 6.430 -1.413 15.186 114 H SER 15 H SER 15 6.021 -1.160 10.855 115 HA SER 15 HA SER 15 6.939 1.401 10.844 116 1HB SER 15 1HB SER 15 5.305 0.156 8.705 117 2HB SER 15 2HB SER 15 6.471 1.507 8.597 118 HG SER 15 HG SER 15 6.864 -1.176 8.730 119 HA PRO 16 HA PRO 16 3.176 3.754 11.893 120 1HB PRO 16 1HB PRO 16 4.310 6.224 12.187 121 2HB PRO 16 2HB PRO 16 4.462 4.927 13.410 122 1HG PRO 16 1HG PRO 16 6.455 5.677 11.239 123 2HG PRO 16 2HG PRO 16 6.770 5.433 12.983 124 1HD PRO 16 1HD PRO 16 7.206 3.462 11.165 125 2HD PRO 16 2HD PRO 16 6.555 3.089 12.790 126 H ILE 17 H ILE 17 1.716 4.698 10.468 127 HA ILE 17 HA ILE 17 2.408 5.032 7.730 128 HB ILE 17 HB ILE 17 0.160 4.414 8.642 129 1HG1 ILE 17 1HG1 ILE 17 -0.009 6.818 6.795 130 2HG1 ILE 17 2HG1 ILE 17 0.669 5.274 6.277 131 1HG2 ILE 17 1HG2 ILE 17 -0.243 7.395 9.133 132 2HG2 ILE 17 2HG2 ILE 17 -1.385 6.045 9.371 133 3HG2 ILE 17 3HG2 ILE 17 0.021 6.199 10.414 134 1HD1 ILE 17 1HD1 ILE 17 -1.474 4.144 6.854 135 2HD1 ILE 17 2HD1 ILE 17 -2.172 5.726 7.261 136 3HD1 ILE 17 3HD1 ILE 17 -1.647 5.381 5.596 137 H SER 18 H SER 18 2.811 6.816 6.499 138 HA SER 18 HA SER 18 3.734 9.239 7.916 139 1HB SER 18 1HB SER 18 4.873 7.752 5.884 140 2HB SER 18 2HB SER 18 4.002 8.991 4.964 141 HG SER 18 HG SER 18 5.833 9.387 7.120 142 H GLU 19 H GLU 19 3.374 11.240 6.331 143 HA GLU 19 HA GLU 19 0.409 11.460 6.387 144 1HB GLU 19 1HB GLU 19 2.472 13.685 6.311 145 2HB GLU 19 2HB GLU 19 0.715 13.880 6.301 146 1HG GLU 19 1HG GLU 19 1.086 12.220 8.501 147 2HG GLU 19 2HG GLU 19 2.536 13.239 8.560 148 H HIS 20 H HIS 20 3.108 11.994 4.187 149 HA HIS 20 HA HIS 20 1.223 12.641 1.961 150 1HB HIS 20 1HB HIS 20 4.187 13.247 2.290 151 2HB HIS 20 2HB HIS 20 3.267 13.514 0.812 152 HD1 HIS 20 1HD HIS 20 4.169 15.255 4.046 153 HD2 HIS 20 2HD HIS 20 1.039 15.208 1.193 154 HE1 HIS 20 1HE HIS 20 2.738 17.343 4.455 155 HE2 HIS 20 2HE HIS 20 0.853 17.333 2.737 156 H PHE 21 H PHE 21 2.385 11.752 -0.208 157 HA PHE 21 HA PHE 21 3.197 8.906 0.230 158 1HB PHE 21 1HB PHE 21 0.889 8.959 -0.553 159 2HB PHE 21 2HB PHE 21 1.344 10.083 -1.834 160 HD1 PHE 21 1HD PHE 21 1.182 6.553 -0.860 161 HD2 PHE 21 2HD PHE 21 2.702 9.338 -3.796 162 HE1 PHE 21 1HE PHE 21 1.523 4.704 -2.454 163 HE2 PHE 21 2HE PHE 21 3.061 7.462 -5.369 164 HZ PHE 21 HZ PHE 21 2.519 5.154 -4.708 165 H GLY 22 H GLY 22 3.164 11.722 -1.993 166 1HA GLY 22 1HA GLY 22 5.093 10.830 -3.814 167 2HA GLY 22 2HA GLY 22 4.660 12.517 -3.510 168 H ARG 23 H ARG 23 5.722 11.733 -0.529 169 HA ARG 23 HA ARG 23 8.590 11.574 -1.144 170 1HB ARG 23 1HB ARG 23 9.107 13.342 0.521 171 2HB ARG 23 2HB ARG 23 8.429 13.934 -0.947 172 1HG ARG 23 1HG ARG 23 6.635 13.517 1.451 173 2HG ARG 23 2HG ARG 23 7.692 14.909 1.352 174 1HD ARG 23 1HD ARG 23 6.342 14.806 -1.170 175 2HD ARG 23 2HD ARG 23 5.128 14.497 0.051 176 HE ARG 23 HE ARG 23 5.159 16.721 0.562 177 1HH1 ARG 23 2HH2 ARG 23 8.011 16.177 -1.435 178 2HH1 ARG 23 1HH2 ARG 23 8.847 17.605 -0.938 179 1HH2 ARG 23 2HH1 ARG 23 6.316 18.687 1.311 180 2HH2 ARG 23 1HH1 ARG 23 7.774 19.098 0.493 181 H ALA 24 H ALA 24 6.749 9.564 -0.308 182 HA ALA 24 HA ALA 24 6.953 9.205 2.560 183 1HB ALA 24 1HB ALA 24 6.331 7.233 0.307 184 2HB ALA 24 2HB ALA 24 6.133 6.932 2.046 185 3HB ALA 24 3HB ALA 24 5.147 8.178 1.248 186 HA PRO 25 HA PRO 25 11.231 7.801 1.975 187 1HB PRO 25 1HB PRO 25 11.804 6.894 4.487 188 2HB PRO 25 2HB PRO 25 11.747 8.589 4.024 189 1HG PRO 25 1HG PRO 25 9.613 6.996 5.396 190 2HG PRO 25 2HG PRO 25 10.122 8.669 5.737 191 1HD PRO 25 1HD PRO 25 7.892 8.029 4.288 192 2HD PRO 25 2HD PRO 25 8.846 9.507 4.006 193 H TYR 26 H TYR 26 8.656 5.639 3.120 194 HA TYR 26 HA TYR 26 10.017 3.319 1.908 195 1HB TYR 26 1HB TYR 26 8.780 3.413 4.670 196 2HB TYR 26 2HB TYR 26 9.494 1.987 3.920 197 HD1 TYR 26 1HD TYR 26 11.993 1.880 3.661 198 HD2 TYR 26 2HD TYR 26 10.084 5.012 5.874 199 HE1 TYR 26 1HE TYR 26 14.215 2.713 4.399 200 HE2 TYR 26 2HE TYR 26 12.287 5.736 6.769 201 HH TYR 26 HH TYR 26 15.381 4.463 5.579 202 H PHE 27 H PHE 27 8.445 1.665 1.359 203 HA PHE 27 HA PHE 27 5.572 2.430 1.577 204 1HB PHE 27 1HB PHE 27 6.925 1.273 -0.857 205 2HB PHE 27 2HB PHE 27 5.205 1.257 -0.606 206 HD1 PHE 27 1HD PHE 27 4.192 3.673 0.089 207 HD2 PHE 27 2HD PHE 27 7.781 2.993 -2.183 208 HE1 PHE 27 1HE PHE 27 3.959 5.885 -0.947 209 HE2 PHE 27 2HE PHE 27 7.489 5.166 -3.332 210 HZ PHE 27 HZ PHE 27 5.557 6.636 -2.713 211 H ALA 28 H ALA 28 4.877 0.984 2.998 212 HA ALA 28 HA ALA 28 5.834 -1.802 3.146 213 1HB ALA 28 1HB ALA 28 3.624 -0.234 4.577 214 2HB ALA 28 2HB ALA 28 4.156 -1.872 4.988 215 3HB ALA 28 3HB ALA 28 5.245 -0.472 5.200 216 H PHE 29 H PHE 29 5.268 -2.559 1.062 217 HA PHE 29 HA PHE 29 2.405 -2.596 0.277 218 1HB PHE 29 1HB PHE 29 5.002 -3.213 -0.994 219 2HB PHE 29 2HB PHE 29 3.690 -4.311 -1.412 220 HD1 PHE 29 1HD PHE 29 5.347 -1.763 -2.867 221 HD2 PHE 29 2HD PHE 29 1.226 -2.700 -1.788 222 HE1 PHE 29 1HE PHE 29 4.471 -0.453 -4.753 223 HE2 PHE 29 2HE PHE 29 0.453 -1.088 -3.399 224 HZ PHE 29 HZ PHE 29 2.048 0.026 -4.944 225 H VAL 30 H VAL 30 1.442 -3.716 1.959 226 HA VAL 30 HA VAL 30 2.534 -6.321 2.864 227 HB VAL 30 HB VAL 30 -0.167 -5.033 3.509 228 1HG1 VAL 30 1HG1 VAL 30 1.538 -7.062 5.028 229 2HG1 VAL 30 2HG1 VAL 30 0.016 -6.364 5.608 230 3HG1 VAL 30 3HG1 VAL 30 0.009 -7.399 4.190 231 1HG2 VAL 30 1HG2 VAL 30 0.954 -4.245 5.629 232 2HG2 VAL 30 2HG2 VAL 30 2.523 -4.572 4.868 233 3HG2 VAL 30 3HG2 VAL 30 1.420 -3.353 4.183 234 H LYS 31 H LYS 31 1.298 -8.318 2.485 235 HA LYS 31 HA LYS 31 -0.182 -8.200 -0.108 236 1HB LYS 31 1HB LYS 31 1.476 -10.407 1.193 237 2HB LYS 31 2HB LYS 31 0.518 -10.580 -0.302 238 1HG LYS 31 1HG LYS 31 1.821 -8.410 -1.017 239 2HG LYS 31 2HG LYS 31 2.968 -8.863 0.227 240 1HD LYS 31 1HD LYS 31 3.859 -10.515 -1.024 241 2HD LYS 31 2HD LYS 31 2.288 -11.115 -1.586 242 1HE LYS 31 1HE LYS 31 2.087 -9.423 -3.263 243 2HE LYS 31 2HE LYS 31 3.448 -8.500 -2.604 244 1HZ LYS 31 1HZ LYS 31 3.695 -11.154 -3.867 245 2HZ LYS 31 2HZ LYS 31 4.037 -9.720 -4.600 246 3HZ LYS 31 3HZ LYS 31 4.925 -10.199 -3.322 247 H VAL 32 H VAL 32 -1.530 -10.585 -0.051 248 HA VAL 32 HA VAL 32 -2.780 -10.896 2.538 249 HB VAL 32 HB VAL 32 -4.512 -10.705 0.041 250 1HG1 VAL 32 1HG1 VAL 32 -5.388 -12.232 1.805 251 2HG1 VAL 32 2HG1 VAL 32 -5.345 -10.883 2.971 252 3HG1 VAL 32 3HG1 VAL 32 -6.421 -10.828 1.575 253 1HG2 VAL 32 1HG2 VAL 32 -5.555 -8.679 0.993 254 2HG2 VAL 32 2HG2 VAL 32 -4.371 -8.675 2.306 255 3HG2 VAL 32 3HG2 VAL 32 -3.844 -8.401 0.632 256 H LYS 33 H LYS 33 -3.110 -13.074 2.867 257 HA LYS 33 HA LYS 33 -2.901 -15.021 0.605 258 1HB LYS 33 1HB LYS 33 -1.063 -15.595 1.977 259 2HB LYS 33 2HB LYS 33 -1.932 -15.302 3.480 260 1HG LYS 33 1HG LYS 33 -3.063 -17.434 1.708 261 2HG LYS 33 2HG LYS 33 -1.429 -17.732 2.243 262 1HD LYS 33 1HD LYS 33 -2.098 -18.430 4.223 263 2HD LYS 33 2HD LYS 33 -2.952 -16.926 4.567 264 1HE LYS 33 1HE LYS 33 -4.967 -17.709 3.482 265 2HE LYS 33 2HE LYS 33 -4.140 -19.152 2.865 266 1HZ LYS 33 1HZ LYS 33 -5.483 -19.577 4.891 267 2HZ LYS 33 2HZ LYS 33 -3.912 -19.976 5.070 268 3HZ LYS 33 3HZ LYS 33 -4.501 -18.607 5.762 269 H ASN 34 H ASN 34 -5.071 -14.839 0.136 270 HA ASN 34 HA ASN 34 -7.168 -15.499 0.135 271 1HB ASN 34 1HB ASN 34 -6.102 -17.527 1.342 272 2HB ASN 34 2HB ASN 34 -6.943 -16.917 2.781 273 1HD2 ASN 34 1HD2 ASN 34 -9.263 -17.076 2.831 274 2HD2 ASN 34 2HD2 ASN 34 -10.169 -17.949 1.654 275 H ASN 35 H ASN 35 -6.393 -14.553 3.448 276 HA ASN 35 HA ASN 35 -8.073 -12.224 3.482 277 1HB ASN 35 1HB ASN 35 -9.380 -13.092 5.532 278 2HB ASN 35 2HB ASN 35 -9.944 -13.535 3.897 279 1HD2 ASN 35 1HD2 ASN 35 -8.187 -14.856 6.815 280 2HD2 ASN 35 2HD2 ASN 35 -8.522 -16.501 6.354 281 H ALA 36 H ALA 36 -5.365 -13.785 4.445 282 HA ALA 36 HA ALA 36 -5.147 -12.317 6.970 283 1HB ALA 36 1HB ALA 36 -5.077 -14.769 7.369 284 2HB ALA 36 2HB ALA 36 -3.736 -14.917 6.206 285 3HB ALA 36 3HB ALA 36 -3.525 -13.989 7.711 286 H ILE 37 H ILE 37 -2.378 -12.020 7.183 287 HA ILE 37 HA ILE 37 -2.087 -10.034 5.247 288 HB ILE 37 HB ILE 37 -0.757 -11.030 7.714 289 1HG1 ILE 37 1HG1 ILE 37 -0.839 -8.685 8.343 290 2HG1 ILE 37 2HG1 ILE 37 -1.310 -8.217 6.708 291 1HG2 ILE 37 1HG2 ILE 37 0.887 -9.273 5.877 292 2HG2 ILE 37 2HG2 ILE 37 1.206 -9.588 7.590 293 3HG2 ILE 37 3HG2 ILE 37 1.297 -10.915 6.431 294 1HD1 ILE 37 1HD1 ILE 37 -3.487 -9.283 6.974 295 2HD1 ILE 37 2HD1 ILE 37 -2.978 -10.033 8.502 296 3HD1 ILE 37 3HD1 ILE 37 -3.186 -8.275 8.397 297 H ALA 38 H ALA 38 -1.115 -13.287 4.953 298 HA ALA 38 HA ALA 38 0.464 -14.419 3.781 299 1HB ALA 38 1HB ALA 38 1.379 -13.396 1.636 300 2HB ALA 38 2HB ALA 38 -0.343 -13.670 1.652 301 3HB ALA 38 3HB ALA 38 0.252 -12.051 1.894 302 H ASP 39 H ASP 39 1.645 -11.058 3.425 303 HA ASP 39 HA ASP 39 4.096 -11.569 4.929 304 1HB ASP 39 1HB ASP 39 4.238 -12.587 2.447 305 2HB ASP 39 2HB ASP 39 4.476 -10.894 2.008 306 H ILE 40 H ILE 40 5.558 -9.674 4.642 307 HA ILE 40 HA ILE 40 4.152 -7.072 4.271 308 HB ILE 40 HB ILE 40 6.568 -7.996 5.883 309 1HG1 ILE 40 1HG1 ILE 40 4.217 -8.433 6.873 310 2HG1 ILE 40 2HG1 ILE 40 5.440 -7.667 7.865 311 1HG2 ILE 40 1HG2 ILE 40 7.132 -5.814 5.111 312 2HG2 ILE 40 2HG2 ILE 40 5.543 -5.161 5.568 313 3HG2 ILE 40 3HG2 ILE 40 6.708 -5.709 6.806 314 1HD1 ILE 40 1HD1 ILE 40 4.396 -5.492 7.662 315 2HD1 ILE 40 2HD1 ILE 40 3.220 -6.120 6.476 316 3HD1 ILE 40 3HD1 ILE 40 3.173 -6.664 8.160 317 H SER 41 H SER 41 5.475 -5.499 2.986 318 HA SER 41 HA SER 41 8.169 -6.262 2.176 319 1HB SER 41 1HB SER 41 6.318 -5.144 0.043 320 2HB SER 41 2HB SER 41 7.979 -5.716 -0.136 321 HG SER 41 HG SER 41 6.872 -7.779 0.708 322 H VAL 42 H VAL 42 8.649 -4.644 3.809 323 HA VAL 42 HA VAL 42 7.824 -1.853 3.112 324 HB VAL 42 HB VAL 42 9.064 -2.955 5.606 325 1HG1 VAL 42 1HG1 VAL 42 8.712 -0.813 6.662 326 2HG1 VAL 42 2HG1 VAL 42 9.742 -0.600 5.243 327 3HG1 VAL 42 3HG1 VAL 42 8.028 -0.145 5.152 328 1HG2 VAL 42 1HG2 VAL 42 7.088 -3.503 6.323 329 2HG2 VAL 42 2HG2 VAL 42 6.569 -1.838 6.255 330 3HG2 VAL 42 3HG2 VAL 42 6.309 -2.930 4.873 331 H GLU 43 H GLU 43 8.985 -1.805 1.262 332 HA GLU 43 HA GLU 43 11.944 -2.040 1.495 333 1HB GLU 43 1HB GLU 43 10.239 -1.531 -0.984 334 2HB GLU 43 2HB GLU 43 11.957 -1.908 -0.927 335 1HG GLU 43 1HG GLU 43 9.619 -3.735 -0.247 336 2HG GLU 43 2HG GLU 43 10.762 -3.892 -1.589 337 H GLU 44 H GLU 44 13.202 -0.195 0.594 338 HA GLU 44 HA GLU 44 12.157 2.303 1.700 339 1HB GLU 44 1HB GLU 44 14.880 1.952 0.431 340 2HB GLU 44 2HB GLU 44 14.328 3.064 1.691 341 1HG GLU 44 1HG GLU 44 13.922 0.896 3.097 342 2HG GLU 44 2HG GLU 44 14.948 0.114 1.939 343 H ASN 45 H ASN 45 11.924 4.239 0.505 344 HA ASN 45 HA ASN 45 10.975 3.731 -2.251 345 1HB ASN 45 1HB ASN 45 9.541 5.043 -0.776 346 2HB ASN 45 2HB ASN 45 10.854 6.183 -0.494 347 1HD2 ASN 45 1HD2 ASN 45 8.949 7.538 -1.269 348 2HD2 ASN 45 2HD2 ASN 45 8.888 7.925 -2.996 349 HA PRO 46 HA PRO 46 15.206 5.059 -3.223 350 1HB PRO 46 1HB PRO 46 14.804 4.777 -6.062 351 2HB PRO 46 2HB PRO 46 15.678 3.695 -4.956 352 1HG PRO 46 1HG PRO 46 13.178 3.145 -6.242 353 2HG PRO 46 2HG PRO 46 13.976 2.172 -4.983 354 1HD PRO 46 1HD PRO 46 11.708 4.036 -4.723 355 2HD PRO 46 2HD PRO 46 12.224 2.697 -3.673 356 H LEU 47 H LEU 47 12.177 6.440 -4.241 357 HA LEU 47 HA LEU 47 13.526 8.918 -5.229 358 1HB LEU 47 1HB LEU 47 10.761 7.854 -5.871 359 2HB LEU 47 2HB LEU 47 11.545 9.256 -6.587 360 HG LEU 47 HG LEU 47 11.472 7.694 -8.202 361 1HD1 LEU 47 1HD1 LEU 47 13.668 8.726 -8.117 362 2HD1 LEU 47 2HD1 LEU 47 14.277 7.412 -7.084 363 3HD1 LEU 47 3HD1 LEU 47 13.781 7.069 -8.739 364 1HD2 LEU 47 1HD2 LEU 47 10.873 5.722 -6.816 365 2HD2 LEU 47 2HD2 LEU 47 11.942 5.384 -8.184 366 3HD2 LEU 47 3HD2 LEU 47 12.607 5.460 -6.555 367 H ALA 48 H ALA 48 12.991 8.401 -2.357 368 HA ALA 48 HA ALA 48 10.464 9.543 -1.622 369 1HB ALA 48 1HB ALA 48 11.363 9.667 0.613 370 2HB ALA 48 2HB ALA 48 11.909 8.142 -0.126 371 3HB ALA 48 3HB ALA 48 13.024 9.519 0.025 372 H GLN 49 H GLN 49 13.442 10.923 -2.636 373 HA GLN 49 HA GLN 49 12.392 13.679 -2.303 374 1HB GLN 49 1HB GLN 49 14.462 14.371 -1.240 375 2HB GLN 49 2HB GLN 49 13.704 13.072 -0.323 376 1HG GLN 49 1HG GLN 49 15.334 11.540 -1.878 377 2HG GLN 49 2HG GLN 49 16.235 13.048 -1.927 378 1HE2 GLN 49 1HE2 GLN 49 15.617 10.187 -0.120 379 2HE2 GLN 49 2HE2 GLN 49 16.444 10.691 1.336 380 H ASP 50 H ASP 50 13.700 11.425 -4.396 381 HA ASP 50 HA ASP 50 16.038 12.644 -5.308 382 1HB ASP 50 1HB ASP 50 15.583 10.248 -5.394 383 2HB ASP 50 2HB ASP 50 14.332 10.509 -6.617 384 H HIS 51 H HIS 51 15.638 14.731 -5.904 385 HA HIS 51 HA HIS 51 14.985 16.539 -7.095 386 1HB HIS 51 1HB HIS 51 15.762 14.604 -9.300 387 2HB HIS 51 2HB HIS 51 15.427 16.308 -9.584 388 HD1 HIS 51 1HD HIS 51 18.425 14.351 -9.125 389 HD2 HIS 51 2HD HIS 51 16.862 17.964 -7.546 390 HE1 HIS 51 1HE HIS 51 20.423 15.761 -8.373 391 HE2 HIS 51 2HE HIS 51 19.438 17.948 -7.342 392 H VAL 52 H VAL 52 12.877 14.872 -6.246 393 HA VAL 52 HA VAL 52 10.783 14.147 -6.525 394 HB VAL 52 HB VAL 52 10.248 16.995 -7.428 395 1HG1 VAL 52 1HG1 VAL 52 8.285 16.731 -5.889 396 2HG1 VAL 52 2HG1 VAL 52 8.243 15.566 -7.210 397 3HG1 VAL 52 3HG1 VAL 52 8.769 15.038 -5.606 398 1HG2 VAL 52 1HG2 VAL 52 10.257 17.598 -5.000 399 2HG2 VAL 52 2HG2 VAL 52 10.962 16.014 -4.626 400 3HG2 VAL 52 3HG2 VAL 52 11.859 17.207 -5.601 401 H HIS 53 H HIS 53 12.113 13.138 -8.738 402 HA HIS 53 HA HIS 53 10.772 13.863 -11.198 403 1HB HIS 53 1HB HIS 53 12.959 12.520 -10.935 404 2HB HIS 53 2HB HIS 53 11.958 11.123 -10.576 405 HD1 HIS 53 1HD HIS 53 11.504 9.712 -12.820 406 HD2 HIS 53 2HD HIS 53 12.244 13.849 -13.413 407 HE1 HIS 53 1HE HIS 53 11.464 10.138 -15.344 408 HE2 HIS 53 2HE HIS 53 12.004 12.595 -15.701 409 H GLY 54 H GLY 54 9.086 12.478 -12.365 410 1HA GLY 54 1HA GLY 54 6.931 11.611 -10.646 411 2HA GLY 54 2HA GLY 54 7.020 11.515 -12.404 412 H ALA 55 H ALA 55 9.405 10.080 -10.209 413 HA ALA 55 HA ALA 55 8.963 7.487 -11.576 414 1HB ALA 55 1HB ALA 55 11.176 7.015 -10.426 415 2HB ALA 55 2HB ALA 55 11.165 8.157 -11.782 416 3HB ALA 55 3HB ALA 55 11.251 8.761 -10.098 417 H VAL 56 H VAL 56 8.499 9.008 -8.409 418 HA VAL 56 HA VAL 56 8.586 6.806 -6.712 419 HB VAL 56 HB VAL 56 6.996 9.352 -6.812 420 1HG1 VAL 56 1HG1 VAL 56 6.162 7.113 -4.955 421 2HG1 VAL 56 2HG1 VAL 56 5.788 8.825 -4.683 422 3HG1 VAL 56 3HG1 VAL 56 5.146 8.015 -6.107 423 1HG2 VAL 56 1HG2 VAL 56 8.770 8.022 -4.776 424 2HG2 VAL 56 2HG2 VAL 56 9.134 9.404 -5.836 425 3HG2 VAL 56 3HG2 VAL 56 7.964 9.591 -4.526 426 HA PRO 57 HA PRO 57 4.268 5.281 -7.933 427 1HB PRO 57 1HB PRO 57 2.898 6.298 -10.065 428 2HB PRO 57 2HB PRO 57 2.844 7.070 -8.449 429 1HG PRO 57 1HG PRO 57 4.355 7.899 -10.903 430 2HG PRO 57 2HG PRO 57 3.612 8.926 -9.636 431 1HD PRO 57 1HD PRO 57 6.308 8.113 -9.886 432 2HD PRO 57 2HD PRO 57 5.646 8.900 -8.462 433 H ASN 58 H ASN 58 6.637 6.114 -10.398 434 HA ASN 58 HA ASN 58 5.821 4.228 -12.413 435 1HB ASN 58 1HB ASN 58 7.350 6.289 -12.676 436 2HB ASN 58 2HB ASN 58 8.644 5.200 -12.126 437 1HD2 ASN 58 1HD2 ASN 58 6.538 6.091 -14.737 438 2HD2 ASN 58 2HD2 ASN 58 7.039 4.863 -15.884 439 H PHE 59 H PHE 59 8.188 4.219 -9.773 440 HA PHE 59 HA PHE 59 9.057 1.523 -9.919 441 1HB PHE 59 1HB PHE 59 10.325 2.911 -8.552 442 2HB PHE 59 2HB PHE 59 8.925 3.694 -7.844 443 HD1 PHE 59 1HD PHE 59 8.595 3.322 -5.594 444 HD2 PHE 59 2HD PHE 59 10.153 0.101 -8.038 445 HE1 PHE 59 1HE PHE 59 8.824 1.857 -3.594 446 HE2 PHE 59 2HE PHE 59 10.257 -1.350 -6.025 447 HZ PHE 59 HZ PHE 59 9.607 -0.468 -3.810 448 H VAL 60 H VAL 60 6.531 2.815 -7.612 449 HA VAL 60 HA VAL 60 5.925 0.184 -6.836 450 HB VAL 60 HB VAL 60 3.790 1.266 -5.893 451 1HG1 VAL 60 1HG1 VAL 60 6.031 0.953 -4.599 452 2HG1 VAL 60 2HG1 VAL 60 6.472 2.575 -5.149 453 3HG1 VAL 60 3HG1 VAL 60 5.109 2.374 -4.082 454 1HG2 VAL 60 1HG2 VAL 60 3.557 3.548 -5.753 455 2HG2 VAL 60 2HG2 VAL 60 5.126 3.844 -6.506 456 3HG2 VAL 60 3HG2 VAL 60 3.763 3.188 -7.482 457 H LYS 61 H LYS 61 4.623 1.823 -9.605 458 HA LYS 61 HA LYS 61 2.426 -0.027 -10.057 459 1HB LYS 61 1HB LYS 61 2.892 2.309 -11.108 460 2HB LYS 61 2HB LYS 61 3.919 1.448 -12.259 461 1HG LYS 61 1HG LYS 61 1.444 0.031 -12.233 462 2HG LYS 61 2HG LYS 61 1.029 1.716 -11.966 463 1HD LYS 61 1HD LYS 61 0.777 1.498 -14.215 464 2HD LYS 61 2HD LYS 61 2.366 2.253 -14.098 465 1HE LYS 61 1HE LYS 61 2.169 -0.768 -14.161 466 2HE LYS 61 2HE LYS 61 1.785 0.104 -15.648 467 1HZ LYS 61 1HZ LYS 61 4.383 0.189 -14.239 468 2HZ LYS 61 2HZ LYS 61 4.036 -0.466 -15.698 469 3HZ LYS 61 3HZ LYS 61 3.970 1.154 -15.509 470 H GLU 62 H GLU 62 5.705 -0.660 -10.052 471 HA GLU 62 HA GLU 62 5.373 -2.968 -11.894 472 1HB GLU 62 1HB GLU 62 7.579 -2.925 -12.233 473 2HB GLU 62 2HB GLU 62 7.443 -1.285 -11.704 474 1HG GLU 62 1HG GLU 62 9.178 -1.901 -10.412 475 2HG GLU 62 2HG GLU 62 7.893 -2.238 -9.284 476 H LYS 63 H LYS 63 5.113 -2.125 -8.566 477 HA LYS 63 HA LYS 63 5.882 -4.784 -7.577 478 1HB LYS 63 1HB LYS 63 4.601 -2.419 -6.148 479 2HB LYS 63 2HB LYS 63 5.305 -3.818 -5.356 480 1HG LYS 63 1HG LYS 63 6.884 -1.866 -7.074 481 2HG LYS 63 2HG LYS 63 6.760 -1.763 -5.327 482 1HD LYS 63 1HD LYS 63 7.750 -4.329 -6.616 483 2HD LYS 63 2HD LYS 63 8.792 -2.935 -6.473 484 1HE LYS 63 1HE LYS 63 8.445 -2.886 -4.007 485 2HE LYS 63 2HE LYS 63 7.293 -4.217 -4.144 486 1HZ LYS 63 1HZ LYS 63 9.407 -5.090 -3.471 487 2HZ LYS 63 2HZ LYS 63 9.129 -5.603 -4.985 488 3HZ LYS 63 3HZ LYS 63 10.174 -4.367 -4.756 489 H GLY 64 H GLY 64 3.742 -4.779 -9.436 490 1HA GLY 64 1HA GLY 64 1.634 -5.609 -9.847 491 2HA GLY 64 2HA GLY 64 2.112 -6.786 -8.624 492 H ALA 65 H ALA 65 1.340 -3.285 -7.999 493 HA ALA 65 HA ALA 65 0.002 -4.150 -5.648 494 1HB ALA 65 1HB ALA 65 1.218 -2.047 -5.891 495 2HB ALA 65 2HB ALA 65 -0.066 -1.411 -6.955 496 3HB ALA 65 3HB ALA 65 -0.419 -1.806 -5.246 497 H GLU 66 H GLU 66 -2.219 -3.362 -4.975 498 HA GLU 66 HA GLU 66 -4.285 -3.451 -7.120 499 1HB GLU 66 1HB GLU 66 -3.881 -5.379 -4.842 500 2HB GLU 66 2HB GLU 66 -5.527 -4.948 -5.327 501 1HG GLU 66 1HG GLU 66 -5.451 -5.900 -7.324 502 2HG GLU 66 2HG GLU 66 -3.743 -5.595 -7.601 503 H LEU 67 H LEU 67 -3.454 -2.906 -3.655 504 HA LEU 67 HA LEU 67 -5.500 -0.786 -3.611 505 1HB LEU 67 1HB LEU 67 -6.033 -2.984 -2.310 506 2HB LEU 67 2HB LEU 67 -4.721 -2.505 -1.249 507 HG LEU 67 HG LEU 67 -6.087 -0.234 -1.017 508 1HD1 LEU 67 1HD1 LEU 67 -8.334 -2.127 -1.825 509 2HD1 LEU 67 2HD1 LEU 67 -8.475 -0.420 -1.366 510 3HD1 LEU 67 3HD1 LEU 67 -7.685 -0.855 -2.878 511 1HD2 LEU 67 1HD2 LEU 67 -6.949 -2.878 0.177 512 2HD2 LEU 67 2HD2 LEU 67 -5.734 -1.750 0.814 513 3HD2 LEU 67 3HD2 LEU 67 -7.435 -1.290 0.801 514 H VAL 68 H VAL 68 -4.951 0.985 -2.228 515 HA VAL 68 HA VAL 68 -2.234 1.097 -1.062 516 HB VAL 68 HB VAL 68 -3.431 3.451 -2.497 517 1HG1 VAL 68 1HG1 VAL 68 -1.390 3.589 -0.895 518 2HG1 VAL 68 2HG1 VAL 68 -0.490 2.851 -2.239 519 3HG1 VAL 68 3HG1 VAL 68 -1.294 4.410 -2.465 520 1HG2 VAL 68 1HG2 VAL 68 -1.663 1.437 -3.901 521 2HG2 VAL 68 2HG2 VAL 68 -3.338 1.895 -4.308 522 3HG2 VAL 68 3HG2 VAL 68 -2.052 3.078 -4.496 523 H ILE 69 H ILE 69 -2.328 2.237 0.942 524 HA ILE 69 HA ILE 69 -4.886 3.486 1.737 525 HB ILE 69 HB ILE 69 -3.242 1.473 3.324 526 1HG1 ILE 69 1HG1 ILE 69 -6.144 1.224 2.412 527 2HG1 ILE 69 2HG1 ILE 69 -4.779 0.411 1.644 528 1HG2 ILE 69 1HG2 ILE 69 -5.582 3.288 4.030 529 2HG2 ILE 69 2HG2 ILE 69 -5.130 1.890 4.993 530 3HG2 ILE 69 3HG2 ILE 69 -3.976 3.183 4.826 531 1HD1 ILE 69 1HD1 ILE 69 -4.242 -0.638 3.912 532 2HD1 ILE 69 2HD1 ILE 69 -5.817 -0.063 4.457 533 3HD1 ILE 69 3HD1 ILE 69 -5.730 -1.197 3.111 534 H VAL 70 H VAL 70 -4.308 5.546 2.071 535 HA VAL 70 HA VAL 70 -1.600 6.142 3.198 536 HB VAL 70 HB VAL 70 -1.325 7.891 1.573 537 1HG1 VAL 70 1HG1 VAL 70 -0.908 5.497 0.756 538 2HG1 VAL 70 2HG1 VAL 70 -2.472 5.586 -0.057 539 3HG1 VAL 70 3HG1 VAL 70 -1.182 6.705 -0.507 540 1HG2 VAL 70 1HG2 VAL 70 -3.488 8.864 1.300 541 2HG2 VAL 70 2HG2 VAL 70 -3.163 8.092 -0.278 542 3HG2 VAL 70 3HG2 VAL 70 -4.198 7.301 0.873 543 H ARG 71 H ARG 71 -1.462 8.465 4.034 544 HA ARG 71 HA ARG 71 -3.872 9.107 5.589 545 1HB ARG 71 1HB ARG 71 -1.618 9.149 6.585 546 2HB ARG 71 2HB ARG 71 -1.164 10.408 5.450 547 1HG ARG 71 1HG ARG 71 -1.873 11.966 6.940 548 2HG ARG 71 2HG ARG 71 -3.510 11.375 6.709 549 1HD ARG 71 1HD ARG 71 -2.826 9.540 8.484 550 2HD ARG 71 2HD ARG 71 -1.526 10.622 8.885 551 HE ARG 71 HE ARG 71 -3.031 12.042 9.901 552 1HH1 ARG 71 2HH2 ARG 71 -4.923 9.556 8.167 553 2HH1 ARG 71 1HH2 ARG 71 -6.440 10.361 8.453 554 1HH2 ARG 71 2HH1 ARG 71 -5.174 12.675 10.704 555 2HH2 ARG 71 1HH1 ARG 71 -6.568 12.120 9.881 556 H GLY 72 H GLY 72 -1.778 11.166 3.386 557 1HA GLY 72 1HA GLY 72 -4.313 12.329 2.305 558 2HA GLY 72 2HA GLY 72 -3.131 13.335 3.110 559 H ILE 73 H ILE 73 -1.509 11.036 1.290 560 HA ILE 73 HA ILE 73 -0.172 11.372 -0.626 561 HB ILE 73 HB ILE 73 -1.689 9.629 -0.705 562 1HG1 ILE 73 1HG1 ILE 73 -2.071 10.583 -3.515 563 2HG1 ILE 73 2HG1 ILE 73 -0.443 10.406 -2.893 564 1HG2 ILE 73 1HG2 ILE 73 -3.819 11.488 -1.859 565 2HG2 ILE 73 2HG2 ILE 73 -3.939 9.727 -1.809 566 3HG2 ILE 73 3HG2 ILE 73 -3.855 10.647 -0.310 567 1HD1 ILE 73 1HD1 ILE 73 -0.898 8.047 -2.319 568 2HD1 ILE 73 2HD1 ILE 73 -2.568 8.226 -2.885 569 3HD1 ILE 73 3HD1 ILE 73 -1.226 8.359 -4.028 570 H GLY 74 H GLY 74 -2.295 12.242 -3.005 571 1HA GLY 74 1HA GLY 74 -2.784 14.869 -3.167 572 2HA GLY 74 2HA GLY 74 -1.050 14.793 -3.563 573 H ARG 75 H ARG 75 -3.225 15.504 -5.387 574 HA ARG 75 HA ARG 75 -4.384 13.432 -6.683 575 1HB ARG 75 1HB ARG 75 -5.061 15.764 -6.901 576 2HB ARG 75 2HB ARG 75 -3.641 16.123 -7.882 577 1HG ARG 75 1HG ARG 75 -5.717 15.931 -9.186 578 2HG ARG 75 2HG ARG 75 -4.495 14.792 -9.729 579 1HD ARG 75 1HD ARG 75 -5.643 12.920 -8.945 580 2HD ARG 75 2HD ARG 75 -6.509 13.833 -7.692 581 HE ARG 75 HE ARG 75 -7.429 13.126 -10.212 582 1HH1 ARG 75 2HH2 ARG 75 -7.602 16.056 -8.057 583 2HH1 ARG 75 1HH2 ARG 75 -9.295 16.231 -8.394 584 1HH2 ARG 75 2HH1 ARG 75 -9.563 13.641 -10.702 585 2HH2 ARG 75 1HH1 ARG 75 -10.402 14.782 -9.755 586 H ARG 76 H ARG 76 -1.071 14.554 -7.406 587 HA ARG 76 HA ARG 76 -1.071 13.273 -10.000 588 1HB ARG 76 1HB ARG 76 0.557 15.014 -9.489 589 2HB ARG 76 2HB ARG 76 1.307 14.011 -8.227 590 1HG ARG 76 1HG ARG 76 2.094 12.405 -9.789 591 2HG ARG 76 2HG ARG 76 0.981 12.956 -11.046 592 1HD ARG 76 1HD ARG 76 2.700 15.179 -10.332 593 2HD ARG 76 2HD ARG 76 3.676 13.759 -10.707 594 HE ARG 76 HE ARG 76 2.001 15.315 -12.538 595 1HH1 ARG 76 2HH2 ARG 76 3.265 12.005 -12.117 596 2HH1 ARG 76 1HH2 ARG 76 3.709 11.809 -13.745 597 1HH2 ARG 76 2HH1 ARG 76 2.035 14.762 -14.782 598 2HH2 ARG 76 1HH1 ARG 76 2.937 13.363 -15.301 599 H ALA 77 H ALA 77 -0.629 12.003 -6.732 600 HA ALA 77 HA ALA 77 0.392 9.482 -7.901 601 1HB ALA 77 1HB ALA 77 1.492 10.199 -5.894 602 2HB ALA 77 2HB ALA 77 -0.058 10.382 -5.052 603 3HB ALA 77 3HB ALA 77 0.511 8.760 -5.523 604 H ILE 78 H ILE 78 -2.801 10.832 -6.683 605 HA ILE 78 HA ILE 78 -4.220 8.415 -6.861 606 HB ILE 78 HB ILE 78 -4.719 11.333 -7.314 607 1HG1 ILE 78 1HG1 ILE 78 -6.245 11.211 -5.608 608 2HG1 ILE 78 2HG1 ILE 78 -6.394 9.441 -5.661 609 1HG2 ILE 78 1HG2 ILE 78 -6.820 9.279 -8.073 610 2HG2 ILE 78 2HG2 ILE 78 -7.057 11.013 -7.832 611 3HG2 ILE 78 3HG2 ILE 78 -6.048 10.456 -9.160 612 1HD1 ILE 78 1HD1 ILE 78 -5.250 10.238 -3.664 613 2HD1 ILE 78 2HD1 ILE 78 -4.139 9.267 -4.645 614 3HD1 ILE 78 3HD1 ILE 78 -4.024 11.052 -4.650 615 H ALA 79 H ALA 79 -2.984 10.610 -9.480 616 HA ALA 79 HA ALA 79 -4.115 9.101 -11.565 617 1HB ALA 79 1HB ALA 79 -1.553 10.720 -11.705 618 2HB ALA 79 2HB ALA 79 -2.582 10.244 -13.059 619 3HB ALA 79 3HB ALA 79 -3.200 11.376 -11.836 620 H ALA 80 H ALA 80 -1.572 8.009 -9.425 621 HA ALA 80 HA ALA 80 -0.256 6.272 -11.298 622 1HB ALA 80 1HB ALA 80 -0.290 6.043 -8.258 623 2HB ALA 80 2HB ALA 80 0.879 5.379 -9.393 624 3HB ALA 80 3HB ALA 80 0.765 7.150 -9.158 625 H PHE 81 H PHE 81 -2.345 5.632 -8.477 626 HA PHE 81 HA PHE 81 -3.506 3.214 -8.757 627 1HB PHE 81 1HB PHE 81 -4.439 4.416 -7.077 628 2HB PHE 81 2HB PHE 81 -4.251 5.864 -7.968 629 HD1 PHE 81 1HD PHE 81 -6.146 7.116 -7.593 630 HD2 PHE 81 2HD PHE 81 -6.585 3.071 -8.965 631 HE1 PHE 81 1HE PHE 81 -8.581 7.467 -7.857 632 HE2 PHE 81 2HE PHE 81 -8.988 3.436 -9.312 633 HZ PHE 81 HZ PHE 81 -10.014 5.641 -8.729 634 H GLU 82 H GLU 82 -4.647 6.129 -10.355 635 HA GLU 82 HA GLU 82 -6.570 4.792 -11.830 636 1HB GLU 82 1HB GLU 82 -5.153 7.460 -12.390 637 2HB GLU 82 2HB GLU 82 -6.583 6.945 -13.231 638 1HG GLU 82 1HG GLU 82 -7.368 6.682 -10.575 639 2HG GLU 82 2HG GLU 82 -6.344 8.122 -10.535 640 H ALA 83 H ALA 83 -3.209 4.714 -12.513 641 HA ALA 83 HA ALA 83 -3.613 4.301 -15.420 642 1HB ALA 83 1HB ALA 83 -1.232 3.820 -15.491 643 2HB ALA 83 2HB ALA 83 -1.444 5.274 -14.490 644 3HB ALA 83 3HB ALA 83 -1.158 3.681 -13.738 645 H MET 84 H MET 84 -3.927 2.532 -12.459 646 HA MET 84 HA MET 84 -3.810 -0.070 -13.967 647 1HB MET 84 1HB MET 84 -2.640 -0.904 -11.770 648 2HB MET 84 2HB MET 84 -1.716 -0.160 -13.049 649 1HG MET 84 1HG MET 84 -1.497 1.892 -11.929 650 2HG MET 84 2HG MET 84 -2.726 1.481 -10.735 651 1HE MET 84 1HE MET 84 0.034 2.823 -10.068 652 2HE MET 84 2HE MET 84 -1.111 2.372 -8.776 653 3HE MET 84 3HE MET 84 0.604 1.889 -8.666 654 H GLY 85 H GLY 85 -5.921 1.847 -12.590 655 1HA GLY 85 1HA GLY 85 -7.774 1.734 -11.318 656 2HA GLY 85 2HA GLY 85 -7.876 0.045 -11.812 657 H VAL 86 H VAL 86 -5.256 1.457 -9.934 658 HA VAL 86 HA VAL 86 -5.532 -0.735 -7.959 659 HB VAL 86 HB VAL 86 -3.368 1.208 -8.774 660 1HG1 VAL 86 1HG1 VAL 86 -3.366 -0.043 -6.041 661 2HG1 VAL 86 2HG1 VAL 86 -1.896 0.439 -6.932 662 3HG1 VAL 86 3HG1 VAL 86 -3.112 1.661 -6.550 663 1HG2 VAL 86 1HG2 VAL 86 -3.558 -1.048 -9.773 664 2HG2 VAL 86 2HG2 VAL 86 -2.134 -1.070 -8.708 665 3HG2 VAL 86 3HG2 VAL 86 -3.639 -1.785 -8.190 666 H LYS 87 H LYS 87 -7.024 -0.462 -6.430 667 HA LYS 87 HA LYS 87 -8.142 2.176 -6.222 668 1HB LYS 87 1HB LYS 87 -9.605 0.332 -6.073 669 2HB LYS 87 2HB LYS 87 -8.748 -0.386 -4.703 670 1HG LYS 87 1HG LYS 87 -9.459 1.352 -3.211 671 2HG LYS 87 2HG LYS 87 -9.863 2.414 -4.569 672 1HD LYS 87 1HD LYS 87 -11.821 1.651 -3.399 673 2HD LYS 87 2HD LYS 87 -11.831 1.146 -5.097 674 1HE LYS 87 1HE LYS 87 -11.313 -1.134 -4.509 675 2HE LYS 87 2HE LYS 87 -10.934 -0.684 -2.839 676 1HZ LYS 87 1HZ LYS 87 -13.230 -0.085 -2.520 677 2HZ LYS 87 2HZ LYS 87 -13.633 -0.501 -4.059 678 3HZ LYS 87 3HZ LYS 87 -13.131 -1.649 -2.996 679 H VAL 88 H VAL 88 -7.825 3.822 -4.849 680 HA VAL 88 HA VAL 88 -5.772 3.457 -2.730 681 HB VAL 88 HB VAL 88 -4.833 4.720 -4.486 682 1HG1 VAL 88 1HG1 VAL 88 -7.048 6.806 -4.232 683 2HG1 VAL 88 2HG1 VAL 88 -5.650 6.820 -5.319 684 3HG1 VAL 88 3HG1 VAL 88 -6.911 5.605 -5.537 685 1HG2 VAL 88 1HG2 VAL 88 -5.580 6.576 -2.186 686 2HG2 VAL 88 2HG2 VAL 88 -4.265 5.409 -2.165 687 3HG2 VAL 88 3HG2 VAL 88 -4.216 6.773 -3.294 688 H ILE 89 H ILE 89 -6.586 3.442 -0.852 689 HA ILE 89 HA ILE 89 -8.971 5.021 -0.076 690 HB ILE 89 HB ILE 89 -7.363 2.721 1.047 691 1HG1 ILE 89 1HG1 ILE 89 -10.391 3.034 0.837 692 2HG1 ILE 89 2HG1 ILE 89 -9.433 2.609 -0.580 693 1HG2 ILE 89 1HG2 ILE 89 -9.305 4.382 2.686 694 2HG2 ILE 89 2HG2 ILE 89 -8.617 2.815 3.158 695 3HG2 ILE 89 3HG2 ILE 89 -7.575 4.228 2.967 696 1HD1 ILE 89 1HD1 ILE 89 -10.153 0.579 0.301 697 2HD1 ILE 89 2HD1 ILE 89 -8.438 0.710 0.707 698 3HD1 ILE 89 3HD1 ILE 89 -9.668 1.027 1.962 699 H LYS 90 H LYS 90 -8.688 6.568 1.640 700 HA LYS 90 HA LYS 90 -5.951 7.390 2.223 701 1HB LYS 90 1HB LYS 90 -7.937 9.473 1.274 702 2HB LYS 90 2HB LYS 90 -6.249 9.615 1.667 703 1HG LYS 90 1HG LYS 90 -6.098 9.691 -0.614 704 2HG LYS 90 2HG LYS 90 -5.808 8.006 -0.331 705 1HD LYS 90 1HD LYS 90 -7.147 8.196 -2.239 706 2HD LYS 90 2HD LYS 90 -8.224 7.545 -1.001 707 1HE LYS 90 1HE LYS 90 -8.008 10.530 -1.478 708 2HE LYS 90 2HE LYS 90 -8.938 9.538 -2.604 709 1HZ LYS 90 1HZ LYS 90 -9.985 10.602 -0.530 710 2HZ LYS 90 2HZ LYS 90 -10.524 9.136 -1.069 711 3HZ LYS 90 3HZ LYS 90 -9.530 9.246 0.248 712 H GLY 91 H GLY 91 -6.283 9.440 3.901 713 1HA GLY 91 1HA GLY 91 -7.112 10.061 5.923 714 2HA GLY 91 2HA GLY 91 -8.616 9.218 5.503 715 H ALA 92 H ALA 92 -5.734 7.221 5.447 716 HA ALA 92 HA ALA 92 -6.756 5.762 7.795 717 1HB ALA 92 1HB ALA 92 -5.832 4.571 5.880 718 2HB ALA 92 2HB ALA 92 -4.260 5.389 6.080 719 3HB ALA 92 3HB ALA 92 -4.857 4.269 7.331 720 H SER 93 H SER 93 -5.255 5.266 9.625 721 HA SER 93 HA SER 93 -3.030 7.033 10.162 722 1HB SER 93 1HB SER 93 -3.976 7.541 12.432 723 2HB SER 93 2HB SER 93 -4.753 8.363 11.071 724 HG SER 93 HG SER 93 -5.775 6.097 12.480 725 H GLY 94 H GLY 94 -1.785 6.009 12.002 726 1HA GLY 94 1HA GLY 94 -1.908 4.295 13.724 727 2HA GLY 94 2HA GLY 94 -2.615 3.183 12.556 728 H THR 95 H THR 95 -0.963 1.679 13.163 729 HA THR 95 HA THR 95 1.628 2.113 11.779 730 HB THR 95 HB THR 95 2.116 -0.201 12.813 731 HG1 THR 95 1HG THR 95 0.962 -0.712 14.632 732 1HG2 THR 95 1HG2 THR 95 2.877 0.824 14.882 733 2HG2 THR 95 2HG2 THR 95 3.114 1.940 13.533 734 3HG2 THR 95 3HG2 THR 95 1.754 2.196 14.648 735 H VAL 96 H VAL 96 2.243 0.072 10.518 736 HA VAL 96 HA VAL 96 0.467 -0.271 8.376 737 HB VAL 96 HB VAL 96 2.919 -1.726 9.409 738 1HG1 VAL 96 1HG1 VAL 96 2.979 -3.085 7.307 739 2HG1 VAL 96 2HG1 VAL 96 1.716 -3.597 8.429 740 3HG1 VAL 96 3HG1 VAL 96 1.286 -2.612 7.017 741 1HG2 VAL 96 1HG2 VAL 96 3.879 -0.821 7.378 742 2HG2 VAL 96 2HG2 VAL 96 2.282 -0.295 6.799 743 3HG2 VAL 96 3HG2 VAL 96 2.993 0.461 8.234 744 H GLU 97 H GLU 97 1.136 -2.589 11.071 745 HA GLU 97 HA GLU 97 -0.781 -4.419 10.193 746 1HB GLU 97 1HB GLU 97 -0.669 -5.445 12.327 747 2HB GLU 97 2HB GLU 97 0.951 -4.946 11.827 748 1HG GLU 97 1HG GLU 97 0.946 -3.076 13.350 749 2HG GLU 97 2HG GLU 97 -0.737 -3.321 13.783 750 H GLU 98 H GLU 98 -1.268 -1.451 12.028 751 HA GLU 98 HA GLU 98 -3.921 -2.159 13.025 752 1HB GLU 98 1HB GLU 98 -2.594 -0.495 14.262 753 2HB GLU 98 2HB GLU 98 -2.564 0.573 12.846 754 1HG GLU 98 1HG GLU 98 -5.024 0.729 12.878 755 2HG GLU 98 2HG GLU 98 -5.113 -0.409 14.205 756 H VAL 99 H VAL 99 -2.611 0.030 10.460 757 HA VAL 99 HA VAL 99 -5.060 0.796 9.351 758 HB VAL 99 HB VAL 99 -2.225 0.325 8.234 759 1HG1 VAL 99 1HG1 VAL 99 -4.453 1.844 6.945 760 2HG1 VAL 99 2HG1 VAL 99 -2.756 1.853 6.387 761 3HG1 VAL 99 3HG1 VAL 99 -3.700 0.357 6.302 762 1HG2 VAL 99 1HG2 VAL 99 -3.525 3.017 8.731 763 2HG2 VAL 99 2HG2 VAL 99 -2.627 2.184 10.014 764 3HG2 VAL 99 3HG2 VAL 99 -1.806 2.629 8.517 765 H VAL 100 H VAL 100 -3.016 -2.076 8.568 766 HA VAL 100 HA VAL 100 -4.685 -3.057 6.461 767 HB VAL 100 HB VAL 100 -2.733 -4.446 8.349 768 1HG1 VAL 100 1HG1 VAL 100 -4.141 -5.581 5.891 769 2HG1 VAL 100 2HG1 VAL 100 -2.746 -6.326 6.711 770 3HG1 VAL 100 3HG1 VAL 100 -4.282 -6.169 7.558 771 1HG2 VAL 100 1HG2 VAL 100 -2.517 -3.675 5.394 772 2HG2 VAL 100 2HG2 VAL 100 -1.749 -2.815 6.738 773 3HG2 VAL 100 3HG2 VAL 100 -1.264 -4.466 6.379 774 H ASN 101 H ASN 101 -4.718 -3.664 10.037 775 HA ASN 101 HA ASN 101 -6.861 -5.553 9.950 776 1HB ASN 101 1HB ASN 101 -5.443 -5.325 11.910 777 2HB ASN 101 2HB ASN 101 -5.882 -3.636 12.131 778 1HD2 ASN 101 1HD2 ASN 101 -8.003 -3.085 13.002 779 2HD2 ASN 101 2HD2 ASN 101 -9.036 -4.297 13.694 780 H GLN 102 H GLN 102 -6.889 -1.966 10.235 781 HA GLN 102 HA GLN 102 -9.689 -1.623 10.614 782 1HB GLN 102 1HB GLN 102 -7.785 0.213 9.085 783 2HB GLN 102 2HB GLN 102 -9.402 0.624 9.654 784 1HG GLN 102 1HG GLN 102 -8.628 0.351 11.987 785 2HG GLN 102 2HG GLN 102 -7.035 -0.025 11.441 786 1HE2 GLN 102 1HE2 GLN 102 -5.655 1.673 11.606 787 2HE2 GLN 102 2HE2 GLN 102 -6.052 3.340 11.433 788 H TYR 103 H TYR 103 -7.773 -1.569 7.567 789 HA TYR 103 HA TYR 103 -10.006 -1.329 5.834 790 1HB TYR 103 1HB TYR 103 -7.856 -0.786 5.066 791 2HB TYR 103 2HB TYR 103 -7.193 -2.391 5.404 792 HD1 TYR 103 1HD TYR 103 -9.851 -0.660 3.393 793 HD2 TYR 103 2HD TYR 103 -7.254 -4.084 3.710 794 HE1 TYR 103 1HE TYR 103 -10.746 -1.534 1.260 795 HE2 TYR 103 2HE TYR 103 -8.214 -5.007 1.610 796 HH TYR 103 HH TYR 103 -10.132 -4.868 0.248 797 H LEU 104 H LEU 104 -8.258 -4.291 6.906 798 HA LEU 104 HA LEU 104 -9.819 -6.062 5.262 799 1HB LEU 104 1HB LEU 104 -8.250 -6.551 7.831 800 2HB LEU 104 2HB LEU 104 -9.107 -7.813 6.973 801 HG LEU 104 HG LEU 104 -6.654 -6.296 6.025 802 1HD1 LEU 104 1HD1 LEU 104 -7.243 -9.288 6.269 803 2HD1 LEU 104 2HD1 LEU 104 -5.691 -8.538 5.892 804 3HD1 LEU 104 3HD1 LEU 104 -6.397 -8.278 7.503 805 1HD2 LEU 104 1HD2 LEU 104 -6.857 -7.717 3.920 806 2HD2 LEU 104 2HD2 LEU 104 -8.579 -7.959 4.398 807 3HD2 LEU 104 3HD2 LEU 104 -7.963 -6.348 4.043 808 H SER 105 H SER 105 -10.485 -4.469 8.323 809 HA SER 105 HA SER 105 -12.893 -6.084 8.777 810 1HB SER 105 1HB SER 105 -11.732 -3.705 10.275 811 2HB SER 105 2HB SER 105 -13.048 -4.770 10.791 812 HG SER 105 HG SER 105 -10.302 -5.259 10.583 813 H GLY 106 H GLY 106 -12.307 -3.776 6.544 814 1HA GLY 106 1HA GLY 106 -13.851 -2.896 5.112 815 2HA GLY 106 2HA GLY 106 -15.140 -3.309 6.238 816 H GLN 107 H GLN 107 -12.932 -1.480 7.985 817 HA GLN 107 HA GLN 107 -14.864 0.632 8.265 818 1HB GLN 107 1HB GLN 107 -11.976 0.372 9.252 819 2HB GLN 107 2HB GLN 107 -13.093 1.631 9.760 820 1HG GLN 107 1HG GLN 107 -13.603 -1.340 10.161 821 2HG GLN 107 2HG GLN 107 -12.870 -0.282 11.370 822 1HE2 GLN 107 1HE2 GLN 107 -15.946 -1.195 9.835 823 2HE2 GLN 107 2HE2 GLN 107 -16.932 -0.121 10.755 824 H LEU 108 H LEU 108 -11.756 0.394 6.697 825 HA LEU 108 HA LEU 108 -11.380 3.264 6.420 826 1HB LEU 108 1HB LEU 108 -9.818 0.920 6.412 827 2HB LEU 108 2HB LEU 108 -9.639 1.510 4.789 828 HG LEU 108 HG LEU 108 -8.645 3.578 5.623 829 1HD1 LEU 108 1HD1 LEU 108 -8.155 3.794 8.130 830 2HD1 LEU 108 2HD1 LEU 108 -9.830 4.085 7.687 831 3HD1 LEU 108 3HD1 LEU 108 -9.370 2.533 8.399 832 1HD2 LEU 108 1HD2 LEU 108 -7.271 1.603 5.349 833 2HD2 LEU 108 2HD2 LEU 108 -6.673 2.583 6.707 834 3HD2 LEU 108 3HD2 LEU 108 -7.578 1.098 7.017 835 H LYS 109 H LYS 109 -11.437 4.465 4.535 836 HA LYS 109 HA LYS 109 -12.500 3.211 2.089 837 1HB LYS 109 1HB LYS 109 -14.434 3.826 3.828 838 2HB LYS 109 2HB LYS 109 -14.170 5.459 3.238 839 1HG LYS 109 1HG LYS 109 -15.968 4.541 1.939 840 2HG LYS 109 2HG LYS 109 -14.602 4.570 0.867 841 1HD LYS 109 1HD LYS 109 -15.413 2.390 0.491 842 2HD LYS 109 2HD LYS 109 -14.236 2.078 1.769 843 1HE LYS 109 1HE LYS 109 -15.966 0.954 2.697 844 2HE LYS 109 2HE LYS 109 -16.238 2.555 3.384 845 1HZ LYS 109 1HZ LYS 109 -18.266 1.850 2.613 846 2HZ LYS 109 2HZ LYS 109 -17.789 2.892 1.432 847 3HZ LYS 109 3HZ LYS 109 -17.706 1.244 1.206 848 H ASP 110 H ASP 110 -12.876 4.682 0.319 849 HA ASP 110 HA ASP 110 -10.654 6.515 -0.035 850 1HB ASP 110 1HB ASP 110 -11.498 6.387 -2.437 851 2HB ASP 110 2HB ASP 110 -11.043 4.842 -1.723 852 H SER 111 H SER 111 -13.198 7.119 1.544 853 HA SER 111 HA SER 111 -14.464 9.271 0.044 854 1HB SER 111 1HB SER 111 -14.971 8.382 2.879 855 2HB SER 111 2HB SER 111 -15.974 9.440 1.827 856 HG SER 111 HG SER 111 -15.929 7.499 0.366 857 H ASP 112 H ASP 112 -12.145 10.355 0.063 858 HA ASP 112 HA ASP 112 -12.434 12.677 1.780 859 1HB ASP 112 1HB ASP 112 -11.211 11.117 3.342 860 2HB ASP 112 2HB ASP 112 -9.841 11.190 2.253 861 H TYR 113 H TYR 113 -12.721 13.454 -0.299 862 HA TYR 113 HA TYR 113 -10.291 13.550 -2.093 863 1HB TYR 113 1HB TYR 113 -12.051 12.000 -2.804 864 2HB TYR 113 2HB TYR 113 -13.249 13.279 -2.646 865 HD1 TYR 113 1HD TYR 113 -9.866 13.472 -4.429 866 HD2 TYR 113 2HD TYR 113 -14.198 13.448 -4.715 867 HE1 TYR 113 1HE TYR 113 -9.730 13.861 -6.840 868 HE2 TYR 113 2HE TYR 113 -14.041 13.796 -7.132 869 HH TYR 113 HH TYR 113 -12.608 13.705 -8.961 870 H GLU 114 H GLU 114 -10.341 15.414 -3.693 871 HA GLU 114 HA GLU 114 -11.493 17.858 -2.490 872 1HB GLU 114 1HB GLU 114 -9.450 19.070 -3.163 873 2HB GLU 114 2HB GLU 114 -9.121 17.853 -1.926 874 1HG GLU 114 1HG GLU 114 -8.178 16.330 -3.566 875 2HG GLU 114 2HG GLU 114 -8.723 17.337 -4.902 876 H VAL 115 H VAL 115 -11.670 19.692 -4.113 877 HA VAL 115 HA VAL 115 -11.852 18.826 -6.917 878 HB VAL 115 HB VAL 115 -14.053 18.411 -5.896 879 1HG1 VAL 115 1HG1 VAL 115 -15.472 20.323 -5.159 880 2HG1 VAL 115 2HG1 VAL 115 -14.101 20.054 -4.086 881 3HG1 VAL 115 3HG1 VAL 115 -14.078 21.398 -5.254 882 1HG2 VAL 115 1HG2 VAL 115 -15.400 19.527 -7.537 883 2HG2 VAL 115 2HG2 VAL 115 -14.190 20.790 -7.790 884 3HG2 VAL 115 3HG2 VAL 115 -13.855 19.106 -8.283 885 H HIS 116 H HIS 116 -11.754 20.582 -8.350 886 HA HIS 116 HA HIS 116 -11.849 23.303 -7.655 887 1HB HIS 116 1HB HIS 116 -9.071 22.152 -7.902 888 2HB HIS 116 2HB HIS 116 -9.411 23.532 -8.917 889 HD1 HIS 116 1HD HIS 116 -9.528 25.862 -7.852 890 HD2 HIS 116 2HD HIS 116 -9.022 22.622 -5.173 891 HE1 HIS 116 1HE HIS 116 -8.746 26.850 -5.571 892 HE2 HIS 116 2HE HIS 116 -8.477 24.889 -3.973 893 H ASP 117 H ASP 117 -10.112 21.130 -9.819 894 HA ASP 117 HA ASP 117 -10.111 20.619 -11.954 895 1HB ASP 117 1HB ASP 117 -12.720 20.566 -11.609 896 2HB ASP 117 2HB ASP 117 -12.689 22.015 -12.624 897 H HIS 118 H HIS 118 -8.583 21.671 -13.190 898 HA HIS 118 HA HIS 118 -8.726 24.484 -13.767 899 1HB HIS 118 1HB HIS 118 -6.856 25.316 -12.504 900 2HB HIS 118 2HB HIS 118 -8.160 24.808 -11.463 901 HD1 HIS 118 1HD HIS 118 -4.955 25.120 -10.617 902 HD2 HIS 118 2HD HIS 118 -7.258 21.599 -11.229 903 HE1 HIS 118 1HE HIS 118 -3.883 23.261 -9.243 904 HE2 HIS 118 2HE HIS 118 -5.325 21.112 -9.642 905 H HIS 119 H HIS 119 -8.570 22.454 -15.521 906 HA HIS 119 HA HIS 119 -6.230 23.223 -17.000 907 1HB HIS 119 1HB HIS 119 -5.308 21.343 -15.607 908 2HB HIS 119 2HB HIS 119 -6.617 20.302 -16.162 909 HD1 HIS 119 1HD HIS 119 -6.152 18.949 -18.347 910 HD2 HIS 119 2HD HIS 119 -3.470 22.150 -17.605 911 HE1 HIS 119 1HE HIS 119 -4.385 18.866 -20.181 912 HE2 HIS 119 2HE HIS 119 -2.733 20.730 -19.739 913 H HIS 120 H HIS 120 -6.458 22.459 -19.231 914 HA HIS 120 HA HIS 120 -7.431 21.974 -21.149 915 1HB HIS 120 1HB HIS 120 -7.733 19.738 -19.899 916 2HB HIS 120 2HB HIS 120 -9.445 20.130 -19.869 917 HD1 HIS 120 1HD HIS 120 -10.553 20.523 -22.503 918 HD2 HIS 120 2HD HIS 120 -6.829 18.531 -21.981 919 HE1 HIS 120 1HE HIS 120 -9.990 19.344 -24.711 920 HE2 HIS 120 2HE HIS 120 -7.784 18.100 -24.365 921 H HIS 121 H HIS 121 -8.066 24.199 -21.147 922 HA HIS 121 HA HIS 121 -10.983 24.280 -21.707 923 1HB HIS 121 1HB HIS 121 -9.588 26.185 -20.190 924 2HB HIS 121 2HB HIS 121 -9.626 26.905 -21.774 925 HD1 HIS 121 1HD HIS 121 -12.359 25.051 -19.613 926 HD2 HIS 121 2HD HIS 121 -11.668 28.461 -22.047 927 HE1 HIS 121 1HE HIS 121 -14.493 26.411 -19.571 928 HE2 HIS 121 2HE HIS 121 -14.115 28.458 -21.103 929 H GLU 122 H GLU 122 -8.303 26.249 -23.124 930 HA GLU 122 HA GLU 122 -8.431 24.558 -25.556 931 1HB GLU 122 1HB GLU 122 -8.557 26.516 -26.924 932 2HB GLU 122 2HB GLU 122 -9.919 26.463 -25.825 933 1HG GLU 122 1HG GLU 122 -7.526 28.336 -25.695 934 2HG GLU 122 2HG GLU 122 -9.195 28.740 -26.070 935 H HIS 123 H HIS 123 -6.588 27.149 -23.822 936 HA HIS 123 HA HIS 123 -4.071 25.986 -24.884 937 1HB HIS 123 1HB HIS 123 -4.947 28.117 -26.050 938 2HB HIS 123 2HB HIS 123 -4.666 28.948 -24.517 939 HD1 HIS 123 1HD HIS 123 -2.786 27.440 -27.506 940 HD2 HIS 123 2HD HIS 123 -2.033 29.401 -23.829 941 HE1 HIS 123 1HE HIS 123 -0.266 28.005 -27.453 942 HE2 HIS 123 2HE HIS 123 0.169 29.111 -25.157 943 H HIS 124 H HIS 124 -2.178 26.464 -23.490 944 HA HIS 124 HA HIS 124 -2.443 28.296 -21.486 945 1HB HIS 124 1HB HIS 124 -1.870 27.211 -19.534 946 2HB HIS 124 2HB HIS 124 -3.172 26.201 -20.151 947 HD1 HIS 124 1HD HIS 124 0.224 26.015 -18.803 948 HD2 HIS 124 2HD HIS 124 -2.002 23.936 -21.727 949 HE1 HIS 124 1HE HIS 124 1.425 23.771 -19.175 950 HE2 HIS 124 2HE HIS 124 0.087 22.518 -21.002 Start of MODEL 10 1 1H MET 1 1H MET 1 -4.602 -9.747 -2.979 2 HA MET 1 HA MET 1 -3.736 -7.528 -4.680 3 1HB MET 1 1HB MET 1 -5.329 -6.247 -3.799 4 2HB MET 1 2HB MET 1 -6.057 -7.748 -3.313 5 1HG MET 1 1HG MET 1 -4.730 -7.331 -1.073 6 2HG MET 1 2HG MET 1 -4.577 -5.707 -1.708 7 1HE MET 1 1HE MET 1 -7.062 -4.723 -2.989 8 2HE MET 1 2HE MET 1 -7.857 -6.284 -3.262 9 3HE MET 1 3HE MET 1 -8.628 -5.078 -2.225 10 H ILE 2 H ILE 2 -2.336 -5.916 -3.889 11 HA ILE 2 HA ILE 2 -0.723 -6.556 -1.511 12 HB ILE 2 HB ILE 2 0.235 -4.925 -3.853 13 1HG1 ILE 2 1HG1 ILE 2 0.706 -7.912 -3.467 14 2HG1 ILE 2 2HG1 ILE 2 -0.100 -7.118 -4.823 15 1HG2 ILE 2 1HG2 ILE 2 2.020 -6.306 -1.856 16 2HG2 ILE 2 2HG2 ILE 2 2.411 -5.011 -2.984 17 3HG2 ILE 2 3HG2 ILE 2 1.378 -4.701 -1.590 18 1HD1 ILE 2 1HD1 ILE 2 2.848 -7.075 -4.193 19 2HD1 ILE 2 2HD1 ILE 2 2.020 -7.628 -5.664 20 3HD1 ILE 2 3HD1 ILE 2 2.066 -5.908 -5.285 21 H ILE 3 H ILE 3 -0.320 -4.539 -0.320 22 HA ILE 3 HA ILE 3 -2.377 -2.430 -0.706 23 HB ILE 3 HB ILE 3 -1.530 -3.998 1.767 24 1HG1 ILE 3 1HG1 ILE 3 -4.397 -3.943 1.015 25 2HG1 ILE 3 2HG1 ILE 3 -3.387 -4.734 -0.158 26 1HG2 ILE 3 1HG2 ILE 3 -3.218 -2.674 2.954 27 2HG2 ILE 3 2HG2 ILE 3 -1.974 -1.629 2.327 28 3HG2 ILE 3 3HG2 ILE 3 -3.536 -1.717 1.477 29 1HD1 ILE 3 1HD1 ILE 3 -2.533 -6.262 1.566 30 2HD1 ILE 3 2HD1 ILE 3 -3.495 -5.407 2.812 31 3HD1 ILE 3 3HD1 ILE 3 -4.304 -6.293 1.512 32 H ALA 4 H ALA 4 -1.095 -0.665 -1.139 33 HA ALA 4 HA ALA 4 1.590 -0.509 0.012 34 1HB ALA 4 1HB ALA 4 0.220 0.904 -2.138 35 2HB ALA 4 2HB ALA 4 1.013 2.065 -1.022 36 3HB ALA 4 3HB ALA 4 1.963 0.813 -1.783 37 H ILE 5 H ILE 5 2.369 0.974 1.580 38 HA ILE 5 HA ILE 5 0.449 2.812 2.778 39 HB ILE 5 HB ILE 5 1.888 0.813 4.549 40 1HG1 ILE 5 1HG1 ILE 5 -1.129 1.042 4.119 41 2HG1 ILE 5 2HG1 ILE 5 -0.128 -0.167 3.305 42 1HG2 ILE 5 1HG2 ILE 5 -0.114 3.062 5.158 43 2HG2 ILE 5 2HG2 ILE 5 0.573 1.961 6.357 44 3HG2 ILE 5 3HG2 ILE 5 1.618 3.103 5.528 45 1HD1 ILE 5 1HD1 ILE 5 0.563 -1.145 5.343 46 2HD1 ILE 5 2HD1 ILE 5 -0.418 -0.009 6.307 47 3HD1 ILE 5 3HD1 ILE 5 -1.195 -1.164 5.197 48 HA PRO 6 HA PRO 6 4.599 4.726 2.543 49 1HB PRO 6 1HB PRO 6 3.840 7.317 2.987 50 2HB PRO 6 2HB PRO 6 3.619 6.496 1.405 51 1HG PRO 6 1HG PRO 6 1.572 7.009 3.565 52 2HG PRO 6 2HG PRO 6 1.435 7.169 1.775 53 1HD PRO 6 1HD PRO 6 0.606 4.947 3.282 54 2HD PRO 6 2HD PRO 6 1.017 4.871 1.542 55 H VAL 7 H VAL 7 5.940 4.698 4.365 56 HA VAL 7 HA VAL 7 4.682 5.336 7.004 57 HB VAL 7 HB VAL 7 6.301 3.672 7.925 58 1HG1 VAL 7 1HG1 VAL 7 4.061 3.081 7.992 59 2HG1 VAL 7 2HG1 VAL 7 3.917 2.876 6.221 60 3HG1 VAL 7 3HG1 VAL 7 4.809 1.703 7.180 61 1HG2 VAL 7 1HG2 VAL 7 7.779 3.402 6.004 62 2HG2 VAL 7 2HG2 VAL 7 7.107 1.850 6.481 63 3HG2 VAL 7 3HG2 VAL 7 6.481 2.662 5.034 64 H SER 8 H SER 8 6.003 6.340 8.552 65 HA SER 8 HA SER 8 7.818 8.285 7.434 66 1HB SER 8 1HB SER 8 7.002 7.473 10.252 67 2HB SER 8 2HB SER 8 8.235 8.701 9.967 68 HG SER 8 HG SER 8 6.702 9.834 8.693 69 H GLU 9 H GLU 9 8.250 5.030 8.752 70 HA GLU 9 HA GLU 9 11.115 5.127 8.319 71 1HB GLU 9 1HB GLU 9 9.783 4.703 11.043 72 2HB GLU 9 2HB GLU 9 11.408 4.113 10.680 73 1HG GLU 9 1HG GLU 9 10.524 7.032 10.614 74 2HG GLU 9 2HG GLU 9 11.408 6.266 11.885 75 H ASN 10 H ASN 10 11.956 2.879 8.422 76 HA ASN 10 HA ASN 10 9.920 0.901 7.584 77 1HB ASN 10 1HB ASN 10 11.996 1.199 6.212 78 2HB ASN 10 2HB ASN 10 12.970 0.658 7.573 79 1HD2 ASN 10 1HD2 ASN 10 12.944 -0.674 5.067 80 2HD2 ASN 10 2HD2 ASN 10 11.922 -2.087 5.028 81 H ARG 11 H ARG 11 8.961 0.364 9.514 82 HA ARG 11 HA ARG 11 10.714 -0.833 11.570 83 1HB ARG 11 1HB ARG 11 8.267 0.834 12.248 84 2HB ARG 11 2HB ARG 11 9.312 0.014 13.370 85 1HG ARG 11 1HG ARG 11 11.154 1.530 12.085 86 2HG ARG 11 2HG ARG 11 9.740 2.516 11.725 87 1HD ARG 11 1HD ARG 11 9.321 2.774 14.140 88 2HD ARG 11 2HD ARG 11 10.665 1.685 14.498 89 HE ARG 11 HE ARG 11 11.526 3.891 12.854 90 1HH1 ARG 11 2HH2 ARG 11 10.860 2.946 16.165 91 2HH1 ARG 11 1HH2 ARG 11 11.789 4.193 16.913 92 1HH2 ARG 11 2HH1 ARG 11 12.863 5.633 13.822 93 2HH2 ARG 11 1HH1 ARG 11 13.013 5.678 15.521 94 H GLY 12 H GLY 12 9.574 -2.166 9.346 95 1HA GLY 12 1HA GLY 12 8.196 -3.974 8.764 96 2HA GLY 12 2HA GLY 12 8.392 -4.408 10.476 97 H LYS 13 H LYS 13 6.496 -4.889 11.254 98 HA LYS 13 HA LYS 13 3.914 -4.006 10.393 99 1HB LYS 13 1HB LYS 13 3.255 -5.019 12.631 100 2HB LYS 13 2HB LYS 13 4.166 -6.072 11.525 101 1HG LYS 13 1HG LYS 13 6.235 -5.248 12.947 102 2HG LYS 13 2HG LYS 13 5.022 -4.760 14.126 103 1HD LYS 13 1HD LYS 13 4.326 -6.978 14.498 104 2HD LYS 13 2HD LYS 13 5.047 -7.560 12.972 105 1HE LYS 13 1HE LYS 13 7.291 -7.014 13.745 106 2HE LYS 13 2HE LYS 13 6.646 -6.335 15.247 107 1HZ LYS 13 1HZ LYS 13 7.438 -8.631 15.546 108 2HZ LYS 13 2HZ LYS 13 5.840 -8.519 15.835 109 3HZ LYS 13 3HZ LYS 13 6.375 -9.191 14.438 110 H ASP 14 H ASP 14 6.066 -2.977 13.129 111 HA ASP 14 HA ASP 14 4.386 -0.986 14.170 112 1HB ASP 14 1HB ASP 14 6.820 -0.266 15.098 113 2HB ASP 14 2HB ASP 14 5.797 -1.483 15.797 114 H SER 15 H SER 15 5.883 -0.829 11.187 115 HA SER 15 HA SER 15 6.893 1.761 10.884 116 1HB SER 15 1HB SER 15 5.187 0.319 8.925 117 2HB SER 15 2HB SER 15 6.325 1.662 8.657 118 HG SER 15 HG SER 15 6.789 -1.013 9.130 119 HA PRO 16 HA PRO 16 3.023 3.904 11.908 120 1HB PRO 16 1HB PRO 16 3.986 6.344 12.561 121 2HB PRO 16 2HB PRO 16 4.155 4.944 13.654 122 1HG PRO 16 1HG PRO 16 6.211 6.088 11.758 123 2HG PRO 16 2HG PRO 16 6.414 5.556 13.458 124 1HD PRO 16 1HD PRO 16 7.040 3.990 11.230 125 2HD PRO 16 2HD PRO 16 6.593 3.333 12.828 126 H ILE 17 H ILE 17 1.738 4.785 10.382 127 HA ILE 17 HA ILE 17 2.507 5.238 7.800 128 HB ILE 17 HB ILE 17 0.268 4.767 8.717 129 1HG1 ILE 17 1HG1 ILE 17 -0.047 7.102 6.870 130 2HG1 ILE 17 2HG1 ILE 17 0.783 5.634 6.344 131 1HG2 ILE 17 1HG2 ILE 17 0.127 7.687 9.459 132 2HG2 ILE 17 2HG2 ILE 17 -1.248 6.567 9.388 133 3HG2 ILE 17 3HG2 ILE 17 0.062 6.275 10.543 134 1HD1 ILE 17 1HD1 ILE 17 -2.053 5.754 7.381 135 2HD1 ILE 17 2HD1 ILE 17 -1.530 5.466 5.705 136 3HD1 ILE 17 3HD1 ILE 17 -1.182 4.261 6.969 137 H SER 18 H SER 18 3.157 6.899 6.543 138 HA SER 18 HA SER 18 3.945 9.494 7.732 139 1HB SER 18 1HB SER 18 5.463 8.133 6.071 140 2HB SER 18 2HB SER 18 4.294 8.662 4.849 141 HG SER 18 HG SER 18 6.053 10.235 6.489 142 H GLU 19 H GLU 19 3.299 11.421 6.142 143 HA GLU 19 HA GLU 19 0.452 11.037 5.639 144 1HB GLU 19 1HB GLU 19 1.098 12.978 6.917 145 2HB GLU 19 2HB GLU 19 2.178 13.528 5.637 146 1HG GLU 19 1HG GLU 19 0.386 13.724 4.059 147 2HG GLU 19 2HG GLU 19 -0.759 12.903 5.185 148 H HIS 20 H HIS 20 3.401 12.038 3.892 149 HA HIS 20 HA HIS 20 1.677 12.638 1.524 150 1HB HIS 20 1HB HIS 20 4.526 13.579 1.841 151 2HB HIS 20 2HB HIS 20 3.185 14.332 1.028 152 HD1 HIS 20 1HD HIS 20 5.036 14.057 4.363 153 HD2 HIS 20 2HD HIS 20 1.645 15.994 2.683 154 HE1 HIS 20 1HE HIS 20 4.338 15.898 5.992 155 HE2 HIS 20 2HE HIS 20 2.231 17.003 5.028 156 H PHE 21 H PHE 21 1.567 10.472 0.920 157 HA PHE 21 HA PHE 21 3.307 8.535 0.366 158 1HB PHE 21 1HB PHE 21 0.955 8.472 -0.271 159 2HB PHE 21 2HB PHE 21 1.209 9.680 -1.513 160 HD1 PHE 21 1HD PHE 21 2.372 9.149 -3.614 161 HD2 PHE 21 2HD PHE 21 1.653 6.104 -0.628 162 HE1 PHE 21 1HE PHE 21 2.969 7.370 -5.272 163 HE2 PHE 21 2HE PHE 21 2.290 4.369 -2.279 164 HZ PHE 21 HZ PHE 21 2.974 5.019 -4.544 165 H GLY 22 H GLY 22 3.066 11.432 -1.798 166 1HA GLY 22 1HA GLY 22 4.850 10.505 -3.757 167 2HA GLY 22 2HA GLY 22 4.449 12.188 -3.452 168 H ARG 23 H ARG 23 5.709 11.473 -0.560 169 HA ARG 23 HA ARG 23 8.549 11.251 -1.144 170 1HB ARG 23 1HB ARG 23 9.129 13.226 0.245 171 2HB ARG 23 2HB ARG 23 8.419 13.649 -1.301 172 1HG ARG 23 1HG ARG 23 6.440 13.421 0.892 173 2HG ARG 23 2HG ARG 23 7.659 14.615 1.225 174 1HD ARG 23 1HD ARG 23 6.137 14.524 -1.401 175 2HD ARG 23 2HD ARG 23 5.556 15.427 0.018 176 HE ARG 23 HE ARG 23 8.186 16.264 -0.420 177 1HH1 ARG 23 2HH2 ARG 23 5.088 16.428 -2.124 178 2HH1 ARG 23 1HH2 ARG 23 5.305 18.083 -2.582 179 1HH2 ARG 23 2HH1 ARG 23 8.689 18.202 -1.494 180 2HH2 ARG 23 1HH1 ARG 23 7.619 18.903 -2.655 181 H ALA 24 H ALA 24 6.980 9.321 -0.183 182 HA ALA 24 HA ALA 24 7.174 9.249 2.763 183 1HB ALA 24 1HB ALA 24 6.578 7.053 0.720 184 2HB ALA 24 2HB ALA 24 6.356 6.966 2.479 185 3HB ALA 24 3HB ALA 24 5.367 8.082 1.510 186 HA PRO 25 HA PRO 25 11.459 7.850 2.072 187 1HB PRO 25 1HB PRO 25 12.093 6.849 4.541 188 2HB PRO 25 2HB PRO 25 12.058 8.575 4.141 189 1HG PRO 25 1HG PRO 25 9.907 6.955 5.479 190 2HG PRO 25 2HG PRO 25 10.510 8.587 5.885 191 1HD PRO 25 1HD PRO 25 8.209 8.206 4.475 192 2HD PRO 25 2HD PRO 25 9.303 9.585 4.148 193 H TYR 26 H TYR 26 8.941 5.605 3.157 194 HA TYR 26 HA TYR 26 10.287 3.420 1.717 195 1HB TYR 26 1HB TYR 26 9.199 3.091 4.528 196 2HB TYR 26 2HB TYR 26 9.972 1.870 3.582 197 HD1 TYR 26 1HD TYR 26 12.458 1.758 3.494 198 HD2 TYR 26 2HD TYR 26 10.421 4.867 5.665 199 HE1 TYR 26 1HE TYR 26 14.589 2.389 4.588 200 HE2 TYR 26 2HE TYR 26 12.566 5.545 6.718 201 HH TYR 26 HH TYR 26 14.908 5.316 6.590 202 H PHE 27 H PHE 27 8.709 1.706 1.247 203 HA PHE 27 HA PHE 27 5.859 2.486 1.497 204 1HB PHE 27 1HB PHE 27 7.320 1.440 -0.958 205 2HB PHE 27 2HB PHE 27 5.640 1.357 -0.809 206 HD1 PHE 27 1HD PHE 27 5.002 4.089 0.498 207 HD2 PHE 27 2HD PHE 27 7.351 2.879 -2.892 208 HE1 PHE 27 1HE PHE 27 4.529 6.229 -0.605 209 HE2 PHE 27 2HE PHE 27 6.808 4.990 -4.043 210 HZ PHE 27 HZ PHE 27 5.396 6.704 -2.874 211 H ALA 28 H ALA 28 5.142 1.137 2.975 212 HA ALA 28 HA ALA 28 6.053 -1.662 3.272 213 1HB ALA 28 1HB ALA 28 5.611 -0.342 5.296 214 2HB ALA 28 2HB ALA 28 3.980 0.035 4.729 215 3HB ALA 28 3HB ALA 28 4.426 -1.638 5.129 216 H PHE 29 H PHE 29 5.454 -2.301 1.117 217 HA PHE 29 HA PHE 29 2.607 -2.431 0.395 218 1HB PHE 29 1HB PHE 29 5.196 -2.933 -0.899 219 2HB PHE 29 2HB PHE 29 3.995 -4.134 -1.277 220 HD1 PHE 29 1HD PHE 29 5.419 -1.714 -2.912 221 HD2 PHE 29 2HD PHE 29 1.447 -2.573 -1.482 222 HE1 PHE 29 1HE PHE 29 4.384 -0.488 -4.860 223 HE2 PHE 29 2HE PHE 29 0.469 -1.103 -3.209 224 HZ PHE 29 HZ PHE 29 1.902 -0.138 -4.950 225 H VAL 30 H VAL 30 1.569 -3.591 1.943 226 HA VAL 30 HA VAL 30 2.617 -6.233 2.806 227 HB VAL 30 HB VAL 30 -0.102 -4.987 3.441 228 1HG1 VAL 30 1HG1 VAL 30 0.290 -6.312 5.602 229 2HG1 VAL 30 2HG1 VAL 30 0.034 -7.273 4.161 230 3HG1 VAL 30 3HG1 VAL 30 1.677 -7.059 4.789 231 1HG2 VAL 30 1HG2 VAL 30 0.918 -4.120 5.552 232 2HG2 VAL 30 2HG2 VAL 30 2.529 -4.403 4.864 233 3HG2 VAL 30 3HG2 VAL 30 1.418 -3.243 4.114 234 H LYS 31 H LYS 31 1.098 -8.164 2.527 235 HA LYS 31 HA LYS 31 -0.461 -7.931 -0.029 236 1HB LYS 31 1HB LYS 31 1.087 -10.344 1.001 237 2HB LYS 31 2HB LYS 31 0.175 -10.220 -0.522 238 1HG LYS 31 1HG LYS 31 1.684 -8.231 -1.088 239 2HG LYS 31 2HG LYS 31 2.691 -8.691 0.272 240 1HD LYS 31 1HD LYS 31 3.680 -9.448 -1.741 241 2HD LYS 31 2HD LYS 31 3.200 -10.835 -0.767 242 1HE LYS 31 1HE LYS 31 1.303 -11.281 -2.214 243 2HE LYS 31 2HE LYS 31 1.658 -9.835 -3.188 244 1HZ LYS 31 1HZ LYS 31 3.570 -10.794 -4.011 245 2HZ LYS 31 2HZ LYS 31 3.704 -11.898 -2.823 246 3HZ LYS 31 3HZ LYS 31 2.533 -12.076 -4.000 247 H VAL 32 H VAL 32 -1.865 -10.126 -0.036 248 HA VAL 32 HA VAL 32 -2.715 -10.884 2.583 249 HB VAL 32 HB VAL 32 -4.197 -8.887 2.092 250 1HG1 VAL 32 1HG1 VAL 32 -4.254 -9.258 -0.396 251 2HG1 VAL 32 2HG1 VAL 32 -5.453 -10.548 -0.118 252 3HG1 VAL 32 3HG1 VAL 32 -5.816 -8.875 0.353 253 1HG2 VAL 32 1HG2 VAL 32 -6.387 -9.902 2.558 254 2HG2 VAL 32 2HG2 VAL 32 -5.719 -11.513 2.243 255 3HG2 VAL 32 3HG2 VAL 32 -5.107 -10.528 3.596 256 H LYS 33 H LYS 33 -3.568 -12.971 2.460 257 HA LYS 33 HA LYS 33 -3.778 -14.412 -0.146 258 1HB LYS 33 1HB LYS 33 -1.714 -15.156 0.926 259 2HB LYS 33 2HB LYS 33 -2.503 -15.187 2.502 260 1HG LYS 33 1HG LYS 33 -2.317 -17.379 2.096 261 2HG LYS 33 2HG LYS 33 -3.951 -17.123 1.527 262 1HD LYS 33 1HD LYS 33 -1.509 -17.108 -0.329 263 2HD LYS 33 2HD LYS 33 -2.366 -18.575 0.137 264 1HE LYS 33 1HE LYS 33 -4.523 -17.395 -0.673 265 2HE LYS 33 2HE LYS 33 -3.438 -16.242 -1.474 266 1HZ LYS 33 1HZ LYS 33 -3.555 -19.169 -1.923 267 2HZ LYS 33 2HZ LYS 33 -4.033 -18.000 -2.961 268 3HZ LYS 33 3HZ LYS 33 -2.452 -18.141 -2.642 269 H ASN 34 H ASN 34 -5.968 -14.810 -0.291 270 HA ASN 34 HA ASN 34 -8.154 -14.802 0.240 271 1HB ASN 34 1HB ASN 34 -7.639 -17.020 0.902 272 2HB ASN 34 2HB ASN 34 -7.080 -16.515 2.486 273 1HD2 ASN 34 1HD2 ASN 34 -8.555 -16.506 4.154 274 2HD2 ASN 34 2HD2 ASN 34 -10.252 -16.909 3.885 275 H ASN 35 H ASN 35 -7.273 -14.642 3.711 276 HA ASN 35 HA ASN 35 -8.351 -11.870 3.858 277 1HB ASN 35 1HB ASN 35 -9.350 -14.336 5.144 278 2HB ASN 35 2HB ASN 35 -9.485 -12.795 5.994 279 1HD2 ASN 35 1HD2 ASN 35 -11.132 -11.277 5.240 280 2HD2 ASN 35 2HD2 ASN 35 -12.197 -11.682 3.911 281 H ALA 36 H ALA 36 -5.622 -13.542 4.296 282 HA ALA 36 HA ALA 36 -5.066 -12.214 6.871 283 1HB ALA 36 1HB ALA 36 -4.042 -14.913 5.861 284 2HB ALA 36 2HB ALA 36 -3.475 -14.120 7.334 285 3HB ALA 36 3HB ALA 36 -5.166 -14.662 7.212 286 H ILE 37 H ILE 37 -2.752 -11.515 7.065 287 HA ILE 37 HA ILE 37 -2.019 -9.839 5.016 288 HB ILE 37 HB ILE 37 -0.637 -10.900 7.462 289 1HG1 ILE 37 1HG1 ILE 37 -0.445 -8.442 7.968 290 2HG1 ILE 37 2HG1 ILE 37 -1.248 -8.097 6.443 291 1HG2 ILE 37 1HG2 ILE 37 1.364 -9.428 7.084 292 2HG2 ILE 37 2HG2 ILE 37 1.330 -10.851 6.062 293 3HG2 ILE 37 3HG2 ILE 37 0.880 -9.271 5.393 294 1HD1 ILE 37 1HD1 ILE 37 -2.425 -9.616 8.815 295 2HD1 ILE 37 2HD1 ILE 37 -2.747 -7.933 8.410 296 3HD1 ILE 37 3HD1 ILE 37 -3.303 -9.208 7.313 297 H ALA 38 H ALA 38 -1.126 -13.149 5.200 298 HA ALA 38 HA ALA 38 0.288 -14.556 4.122 299 1HB ALA 38 1HB ALA 38 -1.029 -13.455 2.170 300 2HB ALA 38 2HB ALA 38 0.474 -12.656 1.777 301 3HB ALA 38 3HB ALA 38 0.394 -14.446 1.802 302 H ASP 39 H ASP 39 1.507 -11.180 3.518 303 HA ASP 39 HA ASP 39 4.275 -11.971 4.024 304 1HB ASP 39 1HB ASP 39 3.324 -12.737 1.624 305 2HB ASP 39 2HB ASP 39 3.441 -11.015 1.281 306 H ILE 40 H ILE 40 5.737 -10.082 3.561 307 HA ILE 40 HA ILE 40 4.452 -7.402 3.579 308 HB ILE 40 HB ILE 40 6.453 -8.602 5.523 309 1HG1 ILE 40 1HG1 ILE 40 3.855 -8.802 5.930 310 2HG1 ILE 40 2HG1 ILE 40 4.961 -8.445 7.232 311 1HG2 ILE 40 1HG2 ILE 40 5.761 -5.651 5.229 312 2HG2 ILE 40 2HG2 ILE 40 6.612 -6.369 6.616 313 3HG2 ILE 40 3HG2 ILE 40 7.337 -6.437 5.021 314 1HD1 ILE 40 1HD1 ILE 40 3.585 -6.168 5.806 315 2HD1 ILE 40 2HD1 ILE 40 2.755 -7.081 7.074 316 3HD1 ILE 40 3HD1 ILE 40 4.262 -6.234 7.453 317 H SER 41 H SER 41 5.591 -5.973 2.202 318 HA SER 41 HA SER 41 8.502 -6.331 1.837 319 1HB SER 41 1HB SER 41 6.252 -5.789 -0.142 320 2HB SER 41 2HB SER 41 7.842 -5.116 -0.396 321 HG SER 41 HG SER 41 8.550 -7.449 -0.114 322 H VAL 42 H VAL 42 8.779 -4.794 3.674 323 HA VAL 42 HA VAL 42 7.932 -2.033 2.948 324 HB VAL 42 HB VAL 42 9.540 -2.748 5.377 325 1HG1 VAL 42 1HG1 VAL 42 9.556 -0.397 4.698 326 2HG1 VAL 42 2HG1 VAL 42 7.792 -0.368 4.643 327 3HG1 VAL 42 3HG1 VAL 42 8.615 -0.587 6.194 328 1HG2 VAL 42 1HG2 VAL 42 7.406 -2.557 6.692 329 2HG2 VAL 42 2HG2 VAL 42 6.529 -2.790 5.171 330 3HG2 VAL 42 3HG2 VAL 42 7.622 -4.044 5.777 331 H GLU 43 H GLU 43 9.003 -1.618 1.189 332 HA GLU 43 HA GLU 43 11.954 -2.071 1.088 333 1HB GLU 43 1HB GLU 43 9.941 -1.369 -1.107 334 2HB GLU 43 2HB GLU 43 11.650 -1.693 -1.343 335 1HG GLU 43 1HG GLU 43 10.481 -3.985 0.021 336 2HG GLU 43 2HG GLU 43 9.442 -3.533 -1.317 337 H GLU 44 H GLU 44 13.313 -0.303 0.571 338 HA GLU 44 HA GLU 44 12.689 2.307 1.433 339 1HB GLU 44 1HB GLU 44 14.750 1.199 -0.555 340 2HB GLU 44 2HB GLU 44 14.712 2.837 0.082 341 1HG GLU 44 1HG GLU 44 16.215 1.910 1.481 342 2HG GLU 44 2HG GLU 44 14.726 1.786 2.421 343 H ASN 45 H ASN 45 12.359 4.198 0.244 344 HA ASN 45 HA ASN 45 10.908 3.904 -2.311 345 1HB ASN 45 1HB ASN 45 10.552 5.675 -0.346 346 2HB ASN 45 2HB ASN 45 11.857 6.527 -1.161 347 1HD2 ASN 45 1HD2 ASN 45 8.631 6.290 -0.954 348 2HD2 ASN 45 2HD2 ASN 45 8.093 6.585 -2.597 349 HA PRO 46 HA PRO 46 15.016 4.510 -4.271 350 1HB PRO 46 1HB PRO 46 14.265 4.778 -6.893 351 2HB PRO 46 2HB PRO 46 14.291 3.215 -6.035 352 1HG PRO 46 1HG PRO 46 11.909 5.019 -6.518 353 2HG PRO 46 2HG PRO 46 12.041 3.245 -6.780 354 1HD PRO 46 1HD PRO 46 10.928 4.321 -4.524 355 2HD PRO 46 2HD PRO 46 11.878 2.812 -4.461 356 H LEU 47 H LEU 47 12.433 6.701 -3.932 357 HA LEU 47 HA LEU 47 13.914 9.049 -5.070 358 1HB LEU 47 1HB LEU 47 11.247 7.942 -5.727 359 2HB LEU 47 2HB LEU 47 11.664 9.627 -6.064 360 HG LEU 47 HG LEU 47 13.483 7.478 -7.152 361 1HD1 LEU 47 1HD1 LEU 47 12.206 7.541 -9.162 362 2HD1 LEU 47 2HD1 LEU 47 11.229 6.943 -7.780 363 3HD1 LEU 47 3HD1 LEU 47 11.027 8.624 -8.353 364 1HD2 LEU 47 1HD2 LEU 47 14.228 9.877 -7.158 365 2HD2 LEU 47 2HD2 LEU 47 13.918 9.249 -8.799 366 3HD2 LEU 47 3HD2 LEU 47 12.723 10.299 -8.007 367 H ALA 48 H ALA 48 13.552 8.489 -2.153 368 HA ALA 48 HA ALA 48 10.968 9.161 -1.158 369 1HB ALA 48 1HB ALA 48 12.720 7.992 0.192 370 2HB ALA 48 2HB ALA 48 13.732 9.443 0.149 371 3HB ALA 48 3HB ALA 48 12.170 9.475 0.982 372 H GLN 49 H GLN 49 13.758 11.122 -1.886 373 HA GLN 49 HA GLN 49 12.456 13.676 -1.767 374 1HB GLN 49 1HB GLN 49 13.473 12.595 0.774 375 2HB GLN 49 2HB GLN 49 14.328 14.059 0.367 376 1HG GLN 49 1HG GLN 49 11.299 13.975 0.360 377 2HG GLN 49 2HG GLN 49 12.252 14.277 1.824 378 1HE2 GLN 49 1HE2 GLN 49 12.861 16.418 2.230 379 2HE2 GLN 49 2HE2 GLN 49 13.303 17.530 0.941 380 H ASP 50 H ASP 50 13.519 13.032 -3.869 381 HA ASP 50 HA ASP 50 16.446 13.595 -3.945 382 1HB ASP 50 1HB ASP 50 16.183 11.220 -3.392 383 2HB ASP 50 2HB ASP 50 15.107 10.984 -4.757 384 H HIS 51 H HIS 51 15.213 11.915 -6.700 385 HA HIS 51 HA HIS 51 15.709 14.054 -8.366 386 1HB HIS 51 1HB HIS 51 15.316 11.441 -8.741 387 2HB HIS 51 2HB HIS 51 13.732 11.985 -9.298 388 HD1 HIS 51 1HD HIS 51 16.441 10.752 -10.853 389 HD2 HIS 51 2HD HIS 51 14.736 14.628 -11.009 390 HE1 HIS 51 1HE HIS 51 17.193 11.841 -13.092 391 HE2 HIS 51 2HE HIS 51 16.185 14.227 -13.105 392 H VAL 52 H VAL 52 12.642 13.300 -6.840 393 HA VAL 52 HA VAL 52 10.513 14.013 -7.052 394 HB VAL 52 HB VAL 52 11.836 16.709 -7.387 395 1HG1 VAL 52 1HG1 VAL 52 9.782 17.551 -6.272 396 2HG1 VAL 52 2HG1 VAL 52 9.404 16.826 -7.840 397 3HG1 VAL 52 3HG1 VAL 52 9.075 15.923 -6.337 398 1HG2 VAL 52 1HG2 VAL 52 12.701 15.514 -5.398 399 2HG2 VAL 52 2HG2 VAL 52 11.616 16.812 -4.915 400 3HG2 VAL 52 3HG2 VAL 52 11.043 15.138 -4.896 401 H HIS 53 H HIS 53 10.013 12.774 -8.858 402 HA HIS 53 HA HIS 53 8.901 14.417 -10.944 403 1HB HIS 53 1HB HIS 53 11.397 13.065 -11.514 404 2HB HIS 53 2HB HIS 53 10.139 12.221 -12.412 405 HD1 HIS 53 1HD HIS 53 10.573 16.016 -11.665 406 HD2 HIS 53 2HD HIS 53 10.193 13.248 -14.856 407 HE1 HIS 53 1HE HIS 53 10.422 17.382 -13.837 408 HE2 HIS 53 2HE HIS 53 10.292 15.716 -15.777 409 H GLY 54 H GLY 54 7.769 12.639 -12.626 410 1HA GLY 54 1HA GLY 54 5.816 11.272 -11.045 411 2HA GLY 54 2HA GLY 54 6.012 11.230 -12.788 412 H ALA 55 H ALA 55 8.777 10.262 -10.795 413 HA ALA 55 HA ALA 55 8.534 7.544 -11.896 414 1HB ALA 55 1HB ALA 55 10.828 9.112 -10.697 415 2HB ALA 55 2HB ALA 55 10.924 7.450 -11.314 416 3HB ALA 55 3HB ALA 55 10.516 8.762 -12.425 417 H VAL 56 H VAL 56 8.349 9.156 -8.752 418 HA VAL 56 HA VAL 56 8.811 6.968 -7.013 419 HB VAL 56 HB VAL 56 7.177 9.473 -6.933 420 1HG1 VAL 56 1HG1 VAL 56 6.613 7.265 -4.939 421 2HG1 VAL 56 2HG1 VAL 56 6.214 8.969 -4.690 422 3HG1 VAL 56 3HG1 VAL 56 5.429 8.076 -5.989 423 1HG2 VAL 56 1HG2 VAL 56 8.395 9.895 -4.911 424 2HG2 VAL 56 2HG2 VAL 56 9.019 8.245 -4.893 425 3HG2 VAL 56 3HG2 VAL 56 9.492 9.362 -6.197 426 HA PRO 57 HA PRO 57 4.386 5.378 -7.886 427 1HB PRO 57 1HB PRO 57 3.018 6.359 -10.053 428 2HB PRO 57 2HB PRO 57 2.853 6.947 -8.348 429 1HG PRO 57 1HG PRO 57 4.178 8.238 -10.679 430 2HG PRO 57 2HG PRO 57 3.491 8.984 -9.200 431 1HD PRO 57 1HD PRO 57 6.190 8.351 -9.804 432 2HD PRO 57 2HD PRO 57 5.599 8.993 -8.289 433 H ASN 58 H ASN 58 6.301 6.353 -10.782 434 HA ASN 58 HA ASN 58 5.582 4.203 -12.417 435 1HB ASN 58 1HB ASN 58 6.964 6.192 -13.088 436 2HB ASN 58 2HB ASN 58 8.355 5.370 -12.358 437 1HD2 ASN 58 1HD2 ASN 58 9.333 3.535 -13.587 438 2HD2 ASN 58 2HD2 ASN 58 8.598 3.056 -15.100 439 H PHE 59 H PHE 59 7.997 4.331 -9.808 440 HA PHE 59 HA PHE 59 8.995 1.671 -9.979 441 1HB PHE 59 1HB PHE 59 10.222 3.132 -8.648 442 2HB PHE 59 2HB PHE 59 8.812 3.783 -7.845 443 HD1 PHE 59 1HD PHE 59 8.378 3.155 -5.640 444 HD2 PHE 59 2HD PHE 59 10.652 0.490 -8.163 445 HE1 PHE 59 1HE PHE 59 8.857 1.643 -3.685 446 HE2 PHE 59 2HE PHE 59 11.060 -0.990 -6.235 447 HZ PHE 59 HZ PHE 59 10.152 -0.389 -3.979 448 H VAL 60 H VAL 60 6.426 2.883 -7.679 449 HA VAL 60 HA VAL 60 5.836 0.252 -6.856 450 HB VAL 60 HB VAL 60 3.656 1.329 -5.997 451 1HG1 VAL 60 1HG1 VAL 60 5.866 1.048 -4.662 452 2HG1 VAL 60 2HG1 VAL 60 6.250 2.678 -5.120 453 3HG1 VAL 60 3HG1 VAL 60 4.790 2.355 -4.122 454 1HG2 VAL 60 1HG2 VAL 60 4.999 3.907 -6.611 455 2HG2 VAL 60 2HG2 VAL 60 3.681 3.208 -7.633 456 3HG2 VAL 60 3HG2 VAL 60 3.376 3.582 -5.952 457 H LYS 61 H LYS 61 4.596 1.887 -9.648 458 HA LYS 61 HA LYS 61 2.516 -0.021 -10.269 459 1HB LYS 61 1HB LYS 61 4.101 1.916 -11.980 460 2HB LYS 61 2HB LYS 61 2.812 0.880 -12.607 461 1HG LYS 61 1HG LYS 61 1.085 2.055 -11.292 462 2HG LYS 61 2HG LYS 61 2.343 2.949 -10.442 463 1HD LYS 61 1HD LYS 61 1.516 4.431 -12.043 464 2HD LYS 61 2HD LYS 61 3.048 3.888 -12.719 465 1HE LYS 61 1HE LYS 61 0.317 2.695 -13.429 466 2HE LYS 61 2HE LYS 61 1.040 4.057 -14.297 467 1HZ LYS 61 1HZ LYS 61 1.548 2.154 -15.526 468 2HZ LYS 61 2HZ LYS 61 2.941 2.562 -14.770 469 3HZ LYS 61 3HZ LYS 61 2.072 1.279 -14.257 470 H GLU 62 H GLU 62 5.964 -0.434 -10.413 471 HA GLU 62 HA GLU 62 5.588 -2.822 -12.120 472 1HB GLU 62 1HB GLU 62 7.775 -2.725 -12.536 473 2HB GLU 62 2HB GLU 62 7.645 -1.089 -11.966 474 1HG GLU 62 1HG GLU 62 9.411 -1.659 -10.771 475 2HG GLU 62 2HG GLU 62 8.222 -2.142 -9.580 476 H LYS 63 H LYS 63 5.426 -1.837 -8.791 477 HA LYS 63 HA LYS 63 6.252 -4.438 -7.728 478 1HB LYS 63 1HB LYS 63 5.085 -1.998 -6.359 479 2HB LYS 63 2HB LYS 63 5.828 -3.355 -5.529 480 1HG LYS 63 1HG LYS 63 7.273 -1.474 -7.422 481 2HG LYS 63 2HG LYS 63 7.324 -1.380 -5.684 482 1HD LYS 63 1HD LYS 63 8.237 -3.873 -7.204 483 2HD LYS 63 2HD LYS 63 9.266 -2.484 -6.928 484 1HE LYS 63 1HE LYS 63 9.118 -2.698 -4.504 485 2HE LYS 63 2HE LYS 63 7.737 -3.782 -4.658 486 1HZ LYS 63 1HZ LYS 63 9.670 -5.192 -5.886 487 2HZ LYS 63 2HZ LYS 63 10.504 -4.408 -4.667 488 3HZ LYS 63 3HZ LYS 63 9.232 -5.351 -4.325 489 H GLY 64 H GLY 64 4.148 -4.598 -9.481 490 1HA GLY 64 1HA GLY 64 2.279 -5.890 -9.824 491 2HA GLY 64 2HA GLY 64 2.902 -6.724 -8.405 492 H ALA 65 H ALA 65 1.661 -3.490 -7.919 493 HA ALA 65 HA ALA 65 0.160 -4.603 -5.820 494 1HB ALA 65 1HB ALA 65 1.554 -2.545 -5.755 495 2HB ALA 65 2HB ALA 65 0.325 -1.701 -6.709 496 3HB ALA 65 3HB ALA 65 -0.062 -2.306 -5.065 497 H GLU 66 H GLU 66 -2.011 -3.286 -5.110 498 HA GLU 66 HA GLU 66 -4.004 -3.350 -7.269 499 1HB GLU 66 1HB GLU 66 -3.744 -5.411 -5.133 500 2HB GLU 66 2HB GLU 66 -5.364 -4.756 -5.455 501 1HG GLU 66 1HG GLU 66 -5.261 -5.381 -7.783 502 2HG GLU 66 2HG GLU 66 -3.574 -5.919 -7.584 503 H LEU 67 H LEU 67 -3.506 -3.109 -3.641 504 HA LEU 67 HA LEU 67 -5.397 -0.847 -3.675 505 1HB LEU 67 1HB LEU 67 -6.272 -2.758 -2.348 506 2HB LEU 67 2HB LEU 67 -4.773 -2.838 -1.433 507 HG LEU 67 HG LEU 67 -5.323 -0.559 -0.477 508 1HD1 LEU 67 1HD1 LEU 67 -7.581 0.320 -0.714 509 2HD1 LEU 67 2HD1 LEU 67 -6.912 0.164 -2.316 510 3HD1 LEU 67 3HD1 LEU 67 -8.058 -1.056 -1.732 511 1HD2 LEU 67 1HD2 LEU 67 -7.210 -1.376 0.947 512 2HD2 LEU 67 2HD2 LEU 67 -7.291 -2.816 -0.104 513 3HD2 LEU 67 3HD2 LEU 67 -5.843 -2.466 0.854 514 H VAL 68 H VAL 68 -4.865 0.937 -2.331 515 HA VAL 68 HA VAL 68 -2.157 1.131 -1.168 516 HB VAL 68 HB VAL 68 -3.518 3.418 -2.651 517 1HG1 VAL 68 1HG1 VAL 68 -0.565 2.906 -2.310 518 2HG1 VAL 68 2HG1 VAL 68 -1.381 4.437 -2.665 519 3HG1 VAL 68 3HG1 VAL 68 -1.516 3.703 -1.046 520 1HG2 VAL 68 1HG2 VAL 68 -3.274 1.805 -4.438 521 2HG2 VAL 68 2HG2 VAL 68 -2.013 3.018 -4.613 522 3HG2 VAL 68 3HG2 VAL 68 -1.614 1.413 -3.935 523 H ILE 69 H ILE 69 -2.282 2.173 0.896 524 HA ILE 69 HA ILE 69 -4.868 3.315 1.728 525 HB ILE 69 HB ILE 69 -3.202 1.314 3.283 526 1HG1 ILE 69 1HG1 ILE 69 -6.113 1.177 2.363 527 2HG1 ILE 69 2HG1 ILE 69 -4.770 0.340 1.591 528 1HG2 ILE 69 1HG2 ILE 69 -5.166 1.737 4.943 529 2HG2 ILE 69 2HG2 ILE 69 -3.873 2.909 4.893 530 3HG2 ILE 69 3HG2 ILE 69 -5.434 3.239 4.078 531 1HD1 ILE 69 1HD1 ILE 69 -4.333 -0.825 3.809 532 2HD1 ILE 69 2HD1 ILE 69 -5.894 -0.209 4.349 533 3HD1 ILE 69 3HD1 ILE 69 -5.825 -1.276 2.951 534 H VAL 70 H VAL 70 -4.428 5.371 2.048 535 HA VAL 70 HA VAL 70 -1.704 6.224 2.959 536 HB VAL 70 HB VAL 70 -2.053 8.018 1.128 537 1HG1 VAL 70 1HG1 VAL 70 -0.351 6.531 0.653 538 2HG1 VAL 70 2HG1 VAL 70 -1.399 5.117 0.633 539 3HG1 VAL 70 3HG1 VAL 70 -1.421 6.233 -0.722 540 1HG2 VAL 70 1HG2 VAL 70 -3.559 7.601 -0.673 541 2HG2 VAL 70 2HG2 VAL 70 -3.953 5.971 -0.094 542 3HG2 VAL 70 3HG2 VAL 70 -4.520 7.392 0.786 543 H ARG 71 H ARG 71 -1.565 8.377 3.867 544 HA ARG 71 HA ARG 71 -4.072 9.055 5.267 545 1HB ARG 71 1HB ARG 71 -1.922 8.569 6.395 546 2HB ARG 71 2HB ARG 71 -1.282 10.068 5.757 547 1HG ARG 71 1HG ARG 71 -2.837 11.388 7.034 548 2HG ARG 71 2HG ARG 71 -3.882 9.991 7.297 549 1HD ARG 71 1HD ARG 71 -1.896 8.951 8.574 550 2HD ARG 71 2HD ARG 71 -1.210 10.553 8.649 551 HE ARG 71 HE ARG 71 -3.869 9.666 9.630 552 1HH1 ARG 71 2HH2 ARG 71 -1.545 12.370 9.690 553 2HH1 ARG 71 1HH2 ARG 71 -2.040 12.903 11.263 554 1HH2 ARG 71 2HH1 ARG 71 -4.737 10.699 11.488 555 2HH2 ARG 71 1HH1 ARG 71 -3.917 12.004 12.249 556 H GLY 72 H GLY 72 -1.485 11.070 3.719 557 1HA GLY 72 1HA GLY 72 -3.477 13.203 3.372 558 2HA GLY 72 2HA GLY 72 -1.745 13.320 3.157 559 H ILE 73 H ILE 73 -1.088 11.602 1.355 560 HA ILE 73 HA ILE 73 -0.503 11.651 -0.705 561 HB ILE 73 HB ILE 73 -2.181 9.772 -0.469 562 1HG1 ILE 73 1HG1 ILE 73 -2.139 10.468 -3.394 563 2HG1 ILE 73 2HG1 ILE 73 -0.609 10.309 -2.544 564 1HG2 ILE 73 1HG2 ILE 73 -4.355 11.006 -0.601 565 2HG2 ILE 73 2HG2 ILE 73 -4.043 11.371 -2.301 566 3HG2 ILE 73 3HG2 ILE 73 -4.262 9.699 -1.769 567 1HD1 ILE 73 1HD1 ILE 73 -2.774 8.183 -2.747 568 2HD1 ILE 73 2HD1 ILE 73 -1.248 8.215 -3.611 569 3HD1 ILE 73 3HD1 ILE 73 -1.225 8.037 -1.857 570 H GLY 74 H GLY 74 -1.891 12.127 -3.316 571 1HA GLY 74 1HA GLY 74 -2.868 14.727 -3.518 572 2HA GLY 74 2HA GLY 74 -1.113 14.783 -3.769 573 H ARG 75 H ARG 75 -2.727 15.447 -5.861 574 HA ARG 75 HA ARG 75 -3.953 13.376 -7.219 575 1HB ARG 75 1HB ARG 75 -4.559 15.702 -7.529 576 2HB ARG 75 2HB ARG 75 -3.038 16.031 -8.321 577 1HG ARG 75 1HG ARG 75 -4.798 15.881 -9.969 578 2HG ARG 75 2HG ARG 75 -3.648 14.589 -10.222 579 1HD ARG 75 1HD ARG 75 -5.353 13.143 -10.280 580 2HD ARG 75 2HD ARG 75 -5.605 13.416 -8.569 581 HE ARG 75 HE ARG 75 -7.331 14.958 -8.947 582 1HH1 ARG 75 2HH2 ARG 75 -6.360 13.381 -12.059 583 2HH1 ARG 75 1HH2 ARG 75 -7.557 14.218 -12.947 584 1HH2 ARG 75 2HH1 ARG 75 -8.981 15.760 -10.072 585 2HH2 ARG 75 1HH1 ARG 75 -9.248 15.401 -11.743 586 H ARG 76 H ARG 76 -0.509 14.275 -7.662 587 HA ARG 76 HA ARG 76 -0.273 12.858 -10.199 588 1HB ARG 76 1HB ARG 76 1.468 14.472 -9.432 589 2HB ARG 76 2HB ARG 76 1.855 13.415 -8.086 590 1HG ARG 76 1HG ARG 76 3.551 13.031 -9.687 591 2HG ARG 76 2HG ARG 76 2.528 11.617 -9.762 592 1HD ARG 76 1HD ARG 76 3.022 12.145 -12.018 593 2HD ARG 76 2HD ARG 76 1.369 12.719 -11.790 594 HE ARG 76 HE ARG 76 3.633 14.603 -11.367 595 1HH1 ARG 76 2HH2 ARG 76 1.286 13.495 -13.842 596 2HH1 ARG 76 1HH2 ARG 76 0.897 15.071 -14.353 597 1HH2 ARG 76 2HH1 ARG 76 3.416 16.674 -12.365 598 2HH2 ARG 76 1HH1 ARG 76 2.578 16.770 -13.859 599 H ALA 77 H ALA 77 -0.197 11.820 -6.793 600 HA ALA 77 HA ALA 77 0.726 9.126 -7.489 601 1HB ALA 77 1HB ALA 77 0.281 8.636 -5.160 602 2HB ALA 77 2HB ALA 77 1.215 10.148 -5.297 603 3HB ALA 77 3HB ALA 77 -0.523 10.216 -4.960 604 H ILE 78 H ILE 78 -2.572 10.653 -6.661 605 HA ILE 78 HA ILE 78 -4.039 8.419 -7.081 606 HB ILE 78 HB ILE 78 -4.390 11.347 -7.477 607 1HG1 ILE 78 1HG1 ILE 78 -6.090 11.159 -5.930 608 2HG1 ILE 78 2HG1 ILE 78 -6.299 9.417 -6.155 609 1HG2 ILE 78 1HG2 ILE 78 -6.452 9.453 -8.631 610 2HG2 ILE 78 2HG2 ILE 78 -6.745 11.148 -8.251 611 3HG2 ILE 78 3HG2 ILE 78 -5.564 10.719 -9.495 612 1HD1 ILE 78 1HD1 ILE 78 -4.011 10.824 -4.741 613 2HD1 ILE 78 2HD1 ILE 78 -5.364 9.941 -3.986 614 3HD1 ILE 78 3HD1 ILE 78 -4.162 9.052 -4.934 615 H ALA 79 H ALA 79 -2.569 10.548 -9.643 616 HA ALA 79 HA ALA 79 -3.690 9.224 -11.859 617 1HB ALA 79 1HB ALA 79 -1.032 10.679 -11.760 618 2HB ALA 79 2HB ALA 79 -1.998 10.328 -13.190 619 3HB ALA 79 3HB ALA 79 -2.638 11.436 -11.969 620 H ALA 80 H ALA 80 -1.427 7.818 -9.720 621 HA ALA 80 HA ALA 80 -0.080 6.094 -11.664 622 1HB ALA 80 1HB ALA 80 -0.131 5.921 -8.616 623 2HB ALA 80 2HB ALA 80 1.046 5.204 -9.728 624 3HB ALA 80 3HB ALA 80 0.929 6.984 -9.507 625 H PHE 81 H PHE 81 -2.147 5.594 -8.825 626 HA PHE 81 HA PHE 81 -3.436 3.228 -9.154 627 1HB PHE 81 1HB PHE 81 -4.274 4.364 -7.396 628 2HB PHE 81 2HB PHE 81 -3.974 5.856 -8.198 629 HD1 PHE 81 1HD PHE 81 -5.781 7.093 -7.371 630 HD2 PHE 81 2HD PHE 81 -6.574 3.470 -9.550 631 HE1 PHE 81 1HE PHE 81 -8.111 7.779 -7.673 632 HE2 PHE 81 2HE PHE 81 -8.877 4.233 -9.983 633 HZ PHE 81 HZ PHE 81 -9.663 6.384 -9.055 634 H GLU 82 H GLU 82 -4.389 6.295 -10.628 635 HA GLU 82 HA GLU 82 -6.469 5.155 -12.011 636 1HB GLU 82 1HB GLU 82 -4.829 7.657 -12.659 637 2HB GLU 82 2HB GLU 82 -6.350 7.358 -13.412 638 1HG GLU 82 1HG GLU 82 -6.603 7.208 -10.486 639 2HG GLU 82 2HG GLU 82 -5.856 8.727 -11.027 640 H ALA 83 H ALA 83 -3.140 4.729 -12.848 641 HA ALA 83 HA ALA 83 -3.767 4.436 -15.711 642 1HB ALA 83 1HB ALA 83 -1.434 3.352 -14.094 643 2HB ALA 83 2HB ALA 83 -1.556 3.373 -15.857 644 3HB ALA 83 3HB ALA 83 -1.396 4.904 -14.979 645 H MET 84 H MET 84 -3.981 2.580 -12.742 646 HA MET 84 HA MET 84 -4.500 0.099 -14.374 647 1HB MET 84 1HB MET 84 -3.167 -1.049 -12.461 648 2HB MET 84 2HB MET 84 -2.352 -0.255 -13.798 649 1HG MET 84 1HG MET 84 -1.810 1.663 -12.452 650 2HG MET 84 2HG MET 84 -2.827 1.102 -11.137 651 1HE MET 84 1HE MET 84 -0.393 -1.188 -13.280 652 2HE MET 84 2HE MET 84 0.463 0.359 -13.234 653 3HE MET 84 3HE MET 84 1.104 -1.054 -12.352 654 H GLY 85 H GLY 85 -6.171 2.138 -12.788 655 1HA GLY 85 1HA GLY 85 -8.049 2.067 -11.390 656 2HA GLY 85 2HA GLY 85 -8.215 0.361 -11.855 657 H VAL 86 H VAL 86 -5.419 1.713 -10.133 658 HA VAL 86 HA VAL 86 -5.705 -0.530 -8.194 659 HB VAL 86 HB VAL 86 -3.490 1.267 -9.077 660 1HG1 VAL 86 1HG1 VAL 86 -3.375 0.066 -6.300 661 2HG1 VAL 86 2HG1 VAL 86 -1.962 0.520 -7.262 662 3HG1 VAL 86 3HG1 VAL 86 -3.142 1.756 -6.796 663 1HG2 VAL 86 1HG2 VAL 86 -3.806 -0.963 -9.996 664 2HG2 VAL 86 2HG2 VAL 86 -2.307 -0.924 -9.062 665 3HG2 VAL 86 3HG2 VAL 86 -3.759 -1.669 -8.386 666 H LYS 87 H LYS 87 -7.027 -0.323 -6.485 667 HA LYS 87 HA LYS 87 -8.428 1.995 -5.877 668 1HB LYS 87 1HB LYS 87 -9.169 -0.280 -5.457 669 2HB LYS 87 2HB LYS 87 -7.934 -0.499 -4.241 670 1HG LYS 87 1HG LYS 87 -9.525 0.109 -2.760 671 2HG LYS 87 2HG LYS 87 -9.243 1.756 -3.283 672 1HD LYS 87 1HD LYS 87 -11.512 1.589 -3.402 673 2HD LYS 87 2HD LYS 87 -11.084 1.237 -5.076 674 1HE LYS 87 1HE LYS 87 -11.114 -1.170 -3.339 675 2HE LYS 87 2HE LYS 87 -12.624 -0.306 -3.241 676 1HZ LYS 87 1HZ LYS 87 -12.697 -1.956 -4.973 677 2HZ LYS 87 2HZ LYS 87 -12.777 -0.484 -5.689 678 3HZ LYS 87 3HZ LYS 87 -11.379 -1.348 -5.728 679 H VAL 88 H VAL 88 -8.180 3.673 -4.476 680 HA VAL 88 HA VAL 88 -5.790 3.613 -2.721 681 HB VAL 88 HB VAL 88 -6.916 6.106 -4.084 682 1HG1 VAL 88 1HG1 VAL 88 -5.628 6.428 -1.938 683 2HG1 VAL 88 2HG1 VAL 88 -4.226 5.650 -2.702 684 3HG1 VAL 88 3HG1 VAL 88 -4.874 7.170 -3.352 685 1HG2 VAL 88 1HG2 VAL 88 -4.533 4.387 -4.887 686 2HG2 VAL 88 2HG2 VAL 88 -5.998 4.728 -5.822 687 3HG2 VAL 88 3HG2 VAL 88 -4.869 6.033 -5.501 688 H ILE 89 H ILE 89 -6.757 3.077 -0.805 689 HA ILE 89 HA ILE 89 -9.191 4.508 0.105 690 HB ILE 89 HB ILE 89 -7.608 2.086 0.984 691 1HG1 ILE 89 1HG1 ILE 89 -10.583 2.666 0.559 692 2HG1 ILE 89 2HG1 ILE 89 -9.507 1.984 -0.649 693 1HG2 ILE 89 1HG2 ILE 89 -8.981 1.986 3.082 694 2HG2 ILE 89 2HG2 ILE 89 -7.800 3.312 3.074 695 3HG2 ILE 89 3HG2 ILE 89 -9.495 3.648 2.753 696 1HD1 ILE 89 1HD1 ILE 89 -9.126 0.044 0.929 697 2HD1 ILE 89 2HD1 ILE 89 -10.465 0.693 1.908 698 3HD1 ILE 89 3HD1 ILE 89 -10.746 0.199 0.224 699 H LYS 90 H LYS 90 -9.162 6.058 1.751 700 HA LYS 90 HA LYS 90 -6.460 7.087 2.343 701 1HB LYS 90 1HB LYS 90 -8.765 8.678 1.227 702 2HB LYS 90 2HB LYS 90 -7.299 9.386 1.852 703 1HG LYS 90 1HG LYS 90 -6.362 9.227 -0.201 704 2HG LYS 90 2HG LYS 90 -6.448 7.475 -0.055 705 1HD LYS 90 1HD LYS 90 -7.517 7.823 -2.052 706 2HD LYS 90 2HD LYS 90 -8.833 7.667 -0.919 707 1HE LYS 90 1HE LYS 90 -9.563 9.440 -2.077 708 2HE LYS 90 2HE LYS 90 -8.677 10.314 -0.819 709 1HZ LYS 90 1HZ LYS 90 -8.233 11.196 -2.937 710 2HZ LYS 90 2HZ LYS 90 -6.867 10.492 -2.504 711 3HZ LYS 90 3HZ LYS 90 -7.890 9.740 -3.614 712 H GLY 91 H GLY 91 -6.294 8.420 4.241 713 1HA GLY 91 1HA GLY 91 -7.241 9.645 6.047 714 2HA GLY 91 2HA GLY 91 -8.711 8.685 5.952 715 H ALA 92 H ALA 92 -5.786 6.802 5.875 716 HA ALA 92 HA ALA 92 -6.546 5.506 8.366 717 1HB ALA 92 1HB ALA 92 -4.581 4.081 7.874 718 2HB ALA 92 2HB ALA 92 -5.634 4.249 6.459 719 3HB ALA 92 3HB ALA 92 -4.122 5.168 6.540 720 H SER 93 H SER 93 -5.048 5.261 10.265 721 HA SER 93 HA SER 93 -2.880 7.112 10.590 722 1HB SER 93 1HB SER 93 -3.909 8.337 12.470 723 2HB SER 93 2HB SER 93 -4.701 8.652 10.923 724 HG SER 93 HG SER 93 -5.589 7.241 13.138 725 H GLY 94 H GLY 94 -1.460 6.038 11.913 726 1HA GLY 94 1HA GLY 94 -1.348 4.793 14.169 727 2HA GLY 94 2HA GLY 94 -2.454 3.646 13.414 728 H THR 95 H THR 95 -1.313 1.833 12.784 729 HA THR 95 HA THR 95 1.462 2.083 11.768 730 HB THR 95 HB THR 95 1.807 -0.088 13.140 731 HG1 THR 95 1HG THR 95 -0.383 0.962 14.634 732 1HG2 THR 95 1HG2 THR 95 1.421 2.461 14.714 733 2HG2 THR 95 2HG2 THR 95 2.458 1.058 15.138 734 3HG2 THR 95 3HG2 THR 95 2.851 2.059 13.720 735 H VAL 96 H VAL 96 2.205 0.004 10.619 736 HA VAL 96 HA VAL 96 0.333 -0.298 8.569 737 HB VAL 96 HB VAL 96 2.943 -1.711 9.225 738 1HG1 VAL 96 1HG1 VAL 96 2.037 -3.466 8.006 739 2HG1 VAL 96 2HG1 VAL 96 1.040 -2.398 7.014 740 3HG1 VAL 96 3HG1 VAL 96 2.783 -2.497 6.725 741 1HG2 VAL 96 1HG2 VAL 96 2.998 0.614 8.479 742 2HG2 VAL 96 2HG2 VAL 96 3.755 -0.474 7.311 743 3HG2 VAL 96 3HG2 VAL 96 2.123 0.166 6.997 744 H GLU 97 H GLU 97 1.281 -2.640 11.109 745 HA GLU 97 HA GLU 97 -0.383 -4.806 10.189 746 1HB GLU 97 1HB GLU 97 -0.157 -5.746 12.401 747 2HB GLU 97 2HB GLU 97 1.382 -5.252 11.730 748 1HG GLU 97 1HG GLU 97 1.605 -3.432 13.210 749 2HG GLU 97 2HG GLU 97 -0.114 -3.311 13.531 750 H GLU 98 H GLU 98 -1.274 -1.885 11.576 751 HA GLU 98 HA GLU 98 -3.833 -2.929 12.644 752 1HB GLU 98 1HB GLU 98 -2.291 -1.526 14.070 753 2HB GLU 98 2HB GLU 98 -2.582 -0.204 12.930 754 1HG GLU 98 1HG GLU 98 -5.184 -0.967 13.445 755 2HG GLU 98 2HG GLU 98 -4.396 -1.463 14.950 756 H VAL 99 H VAL 99 -2.529 -0.336 10.382 757 HA VAL 99 HA VAL 99 -4.843 0.469 9.176 758 HB VAL 99 HB VAL 99 -2.182 -0.387 7.875 759 1HG1 VAL 99 1HG1 VAL 99 -3.796 -0.297 6.095 760 2HG1 VAL 99 2HG1 VAL 99 -4.422 1.230 6.772 761 3HG1 VAL 99 3HG1 VAL 99 -2.793 1.156 6.027 762 1HG2 VAL 99 1HG2 VAL 99 -1.577 1.944 7.885 763 2HG2 VAL 99 2HG2 VAL 99 -3.197 2.393 8.479 764 3HG2 VAL 99 3HG2 VAL 99 -2.071 1.532 9.526 765 H VAL 100 H VAL 100 -3.059 -2.528 8.488 766 HA VAL 100 HA VAL 100 -4.821 -3.391 6.404 767 HB VAL 100 HB VAL 100 -2.755 -4.841 8.114 768 1HG1 VAL 100 1HG1 VAL 100 -4.320 -6.540 7.229 769 2HG1 VAL 100 2HG1 VAL 100 -4.283 -5.782 5.627 770 3HG1 VAL 100 3HG1 VAL 100 -2.840 -6.581 6.253 771 1HG2 VAL 100 1HG2 VAL 100 -2.756 -3.756 5.233 772 2HG2 VAL 100 2HG2 VAL 100 -1.841 -3.095 6.590 773 3HG2 VAL 100 3HG2 VAL 100 -1.439 -4.690 5.950 774 H ASN 101 H ASN 101 -4.850 -3.874 9.947 775 HA ASN 101 HA ASN 101 -7.076 -5.713 9.880 776 1HB ASN 101 1HB ASN 101 -5.710 -5.550 11.905 777 2HB ASN 101 2HB ASN 101 -6.172 -3.857 12.122 778 1HD2 ASN 101 1HD2 ASN 101 -7.189 -7.172 12.622 779 2HD2 ASN 101 2HD2 ASN 101 -8.779 -6.785 13.247 780 H GLN 102 H GLN 102 -6.826 -2.134 10.276 781 HA GLN 102 HA GLN 102 -9.561 -1.677 10.739 782 1HB GLN 102 1HB GLN 102 -7.645 0.175 9.258 783 2HB GLN 102 2HB GLN 102 -9.215 0.612 9.927 784 1HG GLN 102 1HG GLN 102 -8.024 -0.341 12.177 785 2HG GLN 102 2HG GLN 102 -6.585 0.123 11.294 786 1HE2 GLN 102 1HE2 GLN 102 -5.984 1.897 12.759 787 2HE2 GLN 102 2HE2 GLN 102 -6.997 3.305 12.848 788 H TYR 103 H TYR 103 -7.881 -2.023 7.641 789 HA TYR 103 HA TYR 103 -10.139 -1.473 5.922 790 1HB TYR 103 1HB TYR 103 -7.990 -1.222 5.103 791 2HB TYR 103 2HB TYR 103 -7.407 -2.761 5.678 792 HD1 TYR 103 1HD TYR 103 -7.520 -4.744 4.347 793 HD2 TYR 103 2HD TYR 103 -9.660 -1.185 3.113 794 HE1 TYR 103 1HE TYR 103 -7.989 -5.790 2.209 795 HE2 TYR 103 2HE TYR 103 -10.060 -2.269 0.882 796 HH TYR 103 HH TYR 103 -9.003 -5.627 0.249 797 H LEU 104 H LEU 104 -8.636 -4.521 7.143 798 HA LEU 104 HA LEU 104 -10.484 -6.222 5.697 799 1HB LEU 104 1HB LEU 104 -8.661 -6.696 8.106 800 2HB LEU 104 2HB LEU 104 -9.697 -7.947 7.420 801 HG LEU 104 HG LEU 104 -7.456 -6.523 5.939 802 1HD1 LEU 104 1HD1 LEU 104 -6.638 -8.111 7.610 803 2HD1 LEU 104 2HD1 LEU 104 -7.694 -9.377 6.953 804 3HD1 LEU 104 3HD1 LEU 104 -6.351 -8.737 5.983 805 1HD2 LEU 104 1HD2 LEU 104 -9.089 -7.031 4.290 806 2HD2 LEU 104 2HD2 LEU 104 -7.847 -8.292 4.176 807 3HD2 LEU 104 3HD2 LEU 104 -9.403 -8.631 4.979 808 H SER 105 H SER 105 -10.540 -4.568 8.774 809 HA SER 105 HA SER 105 -12.922 -5.805 9.817 810 1HB SER 105 1HB SER 105 -11.304 -3.328 10.527 811 2HB SER 105 2HB SER 105 -12.720 -3.861 11.439 812 HG SER 105 HG SER 105 -10.359 -4.667 11.907 813 H GLY 106 H GLY 106 -12.516 -3.729 7.191 814 1HA GLY 106 1HA GLY 106 -14.224 -3.177 5.755 815 2HA GLY 106 2HA GLY 106 -15.414 -3.395 7.046 816 H GLN 107 H GLN 107 -13.107 -1.451 8.419 817 HA GLN 107 HA GLN 107 -15.099 0.686 8.460 818 1HB GLN 107 1HB GLN 107 -12.283 0.614 9.605 819 2HB GLN 107 2HB GLN 107 -13.571 1.732 10.071 820 1HG GLN 107 1HG GLN 107 -13.655 -1.287 10.542 821 2HG GLN 107 2HG GLN 107 -13.024 -0.111 11.679 822 1HE2 GLN 107 1HE2 GLN 107 -14.510 -0.552 13.303 823 2HE2 GLN 107 2HE2 GLN 107 -16.219 -0.191 13.174 824 H LEU 108 H LEU 108 -11.888 0.145 7.168 825 HA LEU 108 HA LEU 108 -11.378 2.922 6.552 826 1HB LEU 108 1HB LEU 108 -9.868 0.695 7.044 827 2HB LEU 108 2HB LEU 108 -9.738 0.740 5.310 828 HG LEU 108 HG LEU 108 -8.788 3.038 5.488 829 1HD1 LEU 108 1HD1 LEU 108 -8.013 3.861 7.698 830 2HD1 LEU 108 2HD1 LEU 108 -9.772 3.812 7.650 831 3HD1 LEU 108 3HD1 LEU 108 -8.878 2.538 8.498 832 1HD2 LEU 108 1HD2 LEU 108 -6.659 2.213 6.596 833 2HD2 LEU 108 2HD2 LEU 108 -7.555 0.776 7.097 834 3HD2 LEU 108 3HD2 LEU 108 -7.358 1.116 5.372 835 H LYS 109 H LYS 109 -11.517 3.914 4.599 836 HA LYS 109 HA LYS 109 -12.199 2.463 2.197 837 1HB LYS 109 1HB LYS 109 -14.294 2.570 3.782 838 2HB LYS 109 2HB LYS 109 -14.461 4.221 3.220 839 1HG LYS 109 1HG LYS 109 -15.073 3.565 1.090 840 2HG LYS 109 2HG LYS 109 -13.956 2.204 1.074 841 1HD LYS 109 1HD LYS 109 -15.976 1.142 1.025 842 2HD LYS 109 2HD LYS 109 -15.497 1.004 2.733 843 1HE LYS 109 1HE LYS 109 -17.039 2.721 3.391 844 2HE LYS 109 2HE LYS 109 -17.227 3.307 1.726 845 1HZ LYS 109 1HZ LYS 109 -19.116 2.044 2.369 846 2HZ LYS 109 2HZ LYS 109 -18.325 1.265 1.161 847 3HZ LYS 109 3HZ LYS 109 -18.227 0.697 2.710 848 H ASP 110 H ASP 110 -13.269 4.134 0.513 849 HA ASP 110 HA ASP 110 -11.231 6.216 0.261 850 1HB ASP 110 1HB ASP 110 -11.146 5.519 -2.103 851 2HB ASP 110 2HB ASP 110 -10.838 4.143 -1.080 852 H SER 111 H SER 111 -14.189 6.312 0.998 853 HA SER 111 HA SER 111 -16.137 7.468 0.499 854 1HB SER 111 1HB SER 111 -14.230 8.912 1.361 855 2HB SER 111 2HB SER 111 -14.170 9.608 -0.278 856 HG SER 111 HG SER 111 -15.900 10.708 0.139 857 H ASP 112 H ASP 112 -15.736 9.768 -1.708 858 HA ASP 112 HA ASP 112 -16.457 8.183 -4.120 859 1HB ASP 112 1HB ASP 112 -18.477 8.509 -2.725 860 2HB ASP 112 2HB ASP 112 -18.218 10.248 -2.720 861 H TYR 113 H TYR 113 -15.200 9.087 -5.714 862 HA TYR 113 HA TYR 113 -14.606 11.975 -5.624 863 1HB TYR 113 1HB TYR 113 -13.186 10.675 -3.951 864 2HB TYR 113 2HB TYR 113 -12.488 9.794 -5.304 865 HD1 TYR 113 1HD TYR 113 -12.993 13.268 -3.966 866 HD2 TYR 113 2HD TYR 113 -10.471 10.636 -6.262 867 HE1 TYR 113 1HE TYR 113 -11.306 15.055 -4.153 868 HE2 TYR 113 2HE TYR 113 -8.759 12.398 -6.423 869 HH TYR 113 HH TYR 113 -8.860 15.269 -4.490 870 H GLU 114 H GLU 114 -15.681 10.003 -7.684 871 HA GLU 114 HA GLU 114 -13.625 10.476 -9.801 872 1HB GLU 114 1HB GLU 114 -15.133 7.955 -9.145 873 2HB GLU 114 2HB GLU 114 -14.381 8.207 -10.723 874 1HG GLU 114 1HG GLU 114 -12.192 8.482 -9.823 875 2HG GLU 114 2HG GLU 114 -12.793 8.596 -8.156 876 H VAL 115 H VAL 115 -15.760 12.190 -9.245 877 HA VAL 115 HA VAL 115 -17.787 12.268 -11.096 878 HB VAL 115 HB VAL 115 -17.468 14.739 -11.026 879 1HG1 VAL 115 1HG1 VAL 115 -18.692 13.422 -9.238 880 2HG1 VAL 115 2HG1 VAL 115 -17.219 13.506 -8.254 881 3HG1 VAL 115 3HG1 VAL 115 -18.070 14.991 -8.737 882 1HG2 VAL 115 1HG2 VAL 115 -15.036 14.953 -10.898 883 2HG2 VAL 115 2HG2 VAL 115 -15.774 15.683 -9.465 884 3HG2 VAL 115 3HG2 VAL 115 -14.990 14.106 -9.338 885 H HIS 116 H HIS 116 -18.035 12.694 -13.216 886 HA HIS 116 HA HIS 116 -15.603 12.408 -14.893 887 1HB HIS 116 1HB HIS 116 -17.059 10.974 -16.300 888 2HB HIS 116 2HB HIS 116 -16.747 10.358 -14.695 889 HD1 HIS 116 1HD HIS 116 -19.626 11.691 -16.853 890 HD2 HIS 116 2HD HIS 116 -18.811 9.872 -13.105 891 HE1 HIS 116 1HE HIS 116 -21.855 10.777 -15.943 892 HE2 HIS 116 2HE HIS 116 -21.324 9.589 -13.725 893 H ASP 117 H ASP 117 -16.544 15.006 -14.291 894 HA ASP 117 HA ASP 117 -17.837 15.927 -16.810 895 1HB ASP 117 1HB ASP 117 -18.681 17.720 -15.504 896 2HB ASP 117 2HB ASP 117 -18.968 16.251 -14.545 897 H HIS 118 H HIS 118 -14.951 16.189 -14.811 898 HA HIS 118 HA HIS 118 -13.877 18.491 -16.357 899 1HB HIS 118 1HB HIS 118 -14.963 19.409 -14.457 900 2HB HIS 118 2HB HIS 118 -14.352 18.171 -13.398 901 HD1 HIS 118 1HD HIS 118 -12.105 18.620 -12.238 902 HD2 HIS 118 2HD HIS 118 -13.218 21.397 -15.210 903 HE1 HIS 118 1HE HIS 118 -10.518 20.670 -11.995 904 HE2 HIS 118 2HE HIS 118 -11.253 22.358 -13.806 905 H HIS 119 H HIS 119 -11.536 18.613 -16.239 906 HA HIS 119 HA HIS 119 -9.983 16.844 -14.713 907 1HB HIS 119 1HB HIS 119 -8.857 15.575 -16.481 908 2HB HIS 119 2HB HIS 119 -10.509 15.112 -16.252 909 HD1 HIS 119 1HD HIS 119 -12.042 17.058 -18.398 910 HD2 HIS 119 2HD HIS 119 -8.588 14.634 -18.851 911 HE1 HIS 119 1HE HIS 119 -11.994 16.289 -20.781 912 HE2 HIS 119 2HE HIS 119 -9.937 14.808 -21.073 913 H HIS 120 H HIS 120 -7.496 17.077 -16.028 914 HA HIS 120 HA HIS 120 -7.204 19.979 -16.603 915 1HB HIS 120 1HB HIS 120 -6.802 19.488 -14.164 916 2HB HIS 120 2HB HIS 120 -5.552 18.346 -14.639 917 HD1 HIS 120 1HD HIS 120 -6.178 22.173 -15.212 918 HD2 HIS 120 2HD HIS 120 -3.189 19.240 -14.610 919 HE1 HIS 120 1HE HIS 120 -3.927 23.403 -15.133 920 HE2 HIS 120 2HE HIS 120 -2.101 21.622 -14.754 921 H HIS 121 H HIS 121 -7.401 18.335 -18.598 922 HA HIS 121 HA HIS 121 -6.717 16.861 -20.092 923 1HB HIS 121 1HB HIS 121 -3.822 17.401 -19.307 924 2HB HIS 121 2HB HIS 121 -4.371 16.418 -20.628 925 HD1 HIS 121 1HD HIS 121 -4.598 17.569 -22.926 926 HD2 HIS 121 2HD HIS 121 -4.287 20.192 -19.613 927 HE1 HIS 121 1HE HIS 121 -4.216 19.932 -23.859 928 HE2 HIS 121 2HE HIS 121 -3.990 21.520 -21.864 929 H GLU 122 H GLU 122 -5.683 14.598 -20.118 930 HA GLU 122 HA GLU 122 -5.524 13.299 -17.506 931 1HB GLU 122 1HB GLU 122 -5.009 12.545 -20.404 932 2HB GLU 122 2HB GLU 122 -4.472 11.491 -19.092 933 1HG GLU 122 1HG GLU 122 -6.643 11.143 -18.249 934 2HG GLU 122 2HG GLU 122 -7.284 12.555 -19.092 935 H HIS 123 H HIS 123 -2.996 13.580 -20.055 936 HA HIS 123 HA HIS 123 -0.788 13.887 -20.014 937 1HB HIS 123 1HB HIS 123 -1.071 15.840 -18.417 938 2HB HIS 123 2HB HIS 123 -0.850 14.734 -17.086 939 HD1 HIS 123 1HD HIS 123 1.661 13.249 -17.258 940 HD2 HIS 123 2HD HIS 123 1.132 16.794 -19.539 941 HE1 HIS 123 1HE HIS 123 3.951 13.966 -18.016 942 HE2 HIS 123 2HE HIS 123 3.667 16.115 -19.397 943 H HIS 124 H HIS 124 0.034 11.895 -20.244 944 HA HIS 124 HA HIS 124 0.043 9.892 -18.065 945 1HB HIS 124 1HB HIS 124 1.603 9.982 -20.699 946 2HB HIS 124 2HB HIS 124 1.577 8.669 -19.543 947 HD1 HIS 124 1HD HIS 124 -0.608 10.329 -22.218 948 HD2 HIS 124 2HD HIS 124 -0.683 7.095 -19.468 949 HE1 HIS 124 1HE HIS 124 -2.621 8.851 -22.839 950 HE2 HIS 124 2HE HIS 124 -2.652 6.898 -21.155 Start of MODEL 11 1 1H MET 1 1H MET 1 -4.102 -10.158 -4.000 2 HA MET 1 HA MET 1 -3.878 -7.429 -5.078 3 1HB MET 1 1HB MET 1 -6.091 -7.630 -4.326 4 2HB MET 1 2HB MET 1 -5.631 -8.512 -2.861 5 1HG MET 1 1HG MET 1 -4.826 -6.520 -1.818 6 2HG MET 1 2HG MET 1 -4.799 -5.637 -3.345 7 1HE MET 1 1HE MET 1 -7.140 -7.112 -0.508 8 2HE MET 1 2HE MET 1 -8.742 -6.698 -1.156 9 3HE MET 1 3HE MET 1 -7.756 -7.924 -1.971 10 H ILE 2 H ILE 2 -2.666 -5.875 -3.879 11 HA ILE 2 HA ILE 2 -1.061 -6.777 -1.611 12 HB ILE 2 HB ILE 2 0.133 -5.315 -3.980 13 1HG1 ILE 2 1HG1 ILE 2 0.247 -8.306 -3.394 14 2HG1 ILE 2 2HG1 ILE 2 -0.430 -7.496 -4.819 15 1HG2 ILE 2 1HG2 ILE 2 1.595 -6.750 -1.748 16 2HG2 ILE 2 2HG2 ILE 2 2.252 -5.635 -2.978 17 3HG2 ILE 2 3HG2 ILE 2 1.197 -5.033 -1.715 18 1HD1 ILE 2 1HD1 ILE 2 2.497 -7.674 -4.106 19 2HD1 ILE 2 2HD1 ILE 2 1.650 -8.483 -5.435 20 3HD1 ILE 2 3HD1 ILE 2 1.819 -6.714 -5.454 21 H ILE 3 H ILE 3 -0.688 -4.932 -0.307 22 HA ILE 3 HA ILE 3 -2.504 -2.622 -0.709 23 HB ILE 3 HB ILE 3 -1.695 -4.268 1.722 24 1HG1 ILE 3 1HG1 ILE 3 -4.566 -4.237 1.131 25 2HG1 ILE 3 2HG1 ILE 3 -3.644 -4.828 -0.251 26 1HG2 ILE 3 1HG2 ILE 3 -3.462 -1.820 1.527 27 2HG2 ILE 3 2HG2 ILE 3 -3.542 -2.970 2.886 28 3HG2 ILE 3 3HG2 ILE 3 -2.054 -2.084 2.552 29 1HD1 ILE 3 1HD1 ILE 3 -4.278 -6.654 1.312 30 2HD1 ILE 3 2HD1 ILE 3 -2.513 -6.478 1.177 31 3HD1 ILE 3 3HD1 ILE 3 -3.352 -5.854 2.608 32 H ALA 4 H ALA 4 -1.189 -0.815 -1.006 33 HA ALA 4 HA ALA 4 1.509 -0.767 0.160 34 1HB ALA 4 1HB ALA 4 0.129 0.700 -1.942 35 2HB ALA 4 2HB ALA 4 0.940 1.825 -0.816 36 3HB ALA 4 3HB ALA 4 1.866 0.568 -1.612 37 H ILE 5 H ILE 5 2.315 0.663 1.724 38 HA ILE 5 HA ILE 5 0.507 2.619 2.900 39 HB ILE 5 HB ILE 5 1.834 0.537 4.650 40 1HG1 ILE 5 1HG1 ILE 5 -1.050 1.490 4.410 41 2HG1 ILE 5 2HG1 ILE 5 -0.429 0.002 3.705 42 1HG2 ILE 5 1HG2 ILE 5 0.348 3.067 5.479 43 2HG2 ILE 5 2HG2 ILE 5 1.132 1.912 6.571 44 3HG2 ILE 5 3HG2 ILE 5 2.109 2.937 5.536 45 1HD1 ILE 5 1HD1 ILE 5 -1.642 -0.512 5.692 46 2HD1 ILE 5 2HD1 ILE 5 0.074 -0.873 5.956 47 3HD1 ILE 5 3HD1 ILE 5 -0.653 0.589 6.665 48 HA PRO 6 HA PRO 6 4.705 4.464 2.412 49 1HB PRO 6 1HB PRO 6 3.917 7.072 2.587 50 2HB PRO 6 2HB PRO 6 3.689 6.103 1.105 51 1HG PRO 6 1HG PRO 6 1.684 6.682 3.247 52 2HG PRO 6 2HG PRO 6 1.466 6.807 1.474 53 1HD PRO 6 1HD PRO 6 0.694 4.679 3.025 54 2HD PRO 6 2HD PRO 6 1.201 4.459 1.317 55 H VAL 7 H VAL 7 5.819 4.020 4.260 56 HA VAL 7 HA VAL 7 4.733 5.095 6.809 57 HB VAL 7 HB VAL 7 6.171 3.376 7.913 58 1HG1 VAL 7 1HG1 VAL 7 4.177 2.142 5.994 59 2HG1 VAL 7 2HG1 VAL 7 4.665 1.611 7.616 60 3HG1 VAL 7 3HG1 VAL 7 3.730 3.082 7.453 61 1HG2 VAL 7 1HG2 VAL 7 6.749 1.336 6.415 62 2HG2 VAL 7 2HG2 VAL 7 6.708 2.449 5.059 63 3HG2 VAL 7 3HG2 VAL 7 7.831 2.712 6.420 64 H SER 8 H SER 8 6.054 6.164 8.267 65 HA SER 8 HA SER 8 8.177 7.738 7.023 66 1HB SER 8 1HB SER 8 6.999 7.700 9.827 67 2HB SER 8 2HB SER 8 8.295 8.795 9.305 68 HG SER 8 HG SER 8 5.982 9.535 9.121 69 H GLU 9 H GLU 9 8.069 4.731 8.921 70 HA GLU 9 HA GLU 9 11.001 4.696 8.828 71 1HB GLU 9 1HB GLU 9 9.394 4.402 11.387 72 2HB GLU 9 2HB GLU 9 11.003 3.731 11.171 73 1HG GLU 9 1HG GLU 9 11.861 6.026 10.603 74 2HG GLU 9 2HG GLU 9 10.262 6.669 11.004 75 H ASN 10 H ASN 10 11.840 2.607 8.909 76 HA ASN 10 HA ASN 10 10.117 0.469 7.832 77 1HB ASN 10 1HB ASN 10 12.143 1.004 6.581 78 2HB ASN 10 2HB ASN 10 13.127 1.009 8.040 79 1HD2 ASN 10 1HD2 ASN 10 12.883 -0.686 5.346 80 2HD2 ASN 10 2HD2 ASN 10 13.312 -2.271 5.911 81 H ARG 11 H ARG 11 9.037 -0.365 9.668 82 HA ARG 11 HA ARG 11 10.854 -1.407 11.773 83 1HB ARG 11 1HB ARG 11 8.261 0.043 12.396 84 2HB ARG 11 2HB ARG 11 9.432 -0.628 13.534 85 1HG ARG 11 1HG ARG 11 11.054 1.132 12.780 86 2HG ARG 11 2HG ARG 11 9.767 1.834 11.785 87 1HD ARG 11 1HD ARG 11 8.370 2.273 13.637 88 2HD ARG 11 2HD ARG 11 9.250 1.194 14.703 89 HE ARG 11 HE ARG 11 10.225 3.862 13.751 90 1HH1 ARG 11 2HH2 ARG 11 10.339 1.327 16.311 91 2HH1 ARG 11 1HH2 ARG 11 10.960 2.494 17.466 92 1HH2 ARG 11 2HH1 ARG 11 11.080 5.155 15.206 93 2HH2 ARG 11 1HH1 ARG 11 11.303 4.697 16.897 94 H GLY 12 H GLY 12 9.542 -2.807 9.633 95 1HA GLY 12 1HA GLY 12 7.890 -4.457 9.197 96 2HA GLY 12 2HA GLY 12 8.901 -5.230 10.420 97 H LYS 13 H LYS 13 6.189 -3.335 9.639 98 HA LYS 13 HA LYS 13 4.003 -3.465 9.956 99 1HB LYS 13 1HB LYS 13 2.903 -5.154 10.941 100 2HB LYS 13 2HB LYS 13 4.468 -5.926 10.708 101 1HG LYS 13 1HG LYS 13 4.987 -4.942 13.081 102 2HG LYS 13 2HG LYS 13 3.254 -4.784 13.247 103 1HD LYS 13 1HD LYS 13 3.209 -6.908 13.984 104 2HD LYS 13 2HD LYS 13 3.647 -7.448 12.347 105 1HE LYS 13 1HE LYS 13 6.057 -7.171 12.907 106 2HE LYS 13 2HE LYS 13 5.615 -6.571 14.512 107 1HZ LYS 13 1HZ LYS 13 4.479 -8.782 14.802 108 2HZ LYS 13 2HZ LYS 13 5.291 -9.290 13.441 109 3HZ LYS 13 3HZ LYS 13 6.114 -8.808 14.786 110 H ASP 14 H ASP 14 6.123 -2.955 12.839 111 HA ASP 14 HA ASP 14 4.276 -1.128 14.141 112 1HB ASP 14 1HB ASP 14 7.324 -1.127 14.263 113 2HB ASP 14 2HB ASP 14 6.240 -0.262 15.327 114 H SER 15 H SER 15 5.988 -1.020 11.247 115 HA SER 15 HA SER 15 7.045 1.393 10.725 116 1HB SER 15 1HB SER 15 5.213 -0.102 8.887 117 2HB SER 15 2HB SER 15 6.600 0.935 8.483 118 HG SER 15 HG SER 15 7.228 -1.175 8.336 119 HA PRO 16 HA PRO 16 3.342 3.838 11.775 120 1HB PRO 16 1HB PRO 16 4.500 6.314 12.002 121 2HB PRO 16 2HB PRO 16 4.724 5.020 13.225 122 1HG PRO 16 1HG PRO 16 6.581 5.772 10.941 123 2HG PRO 16 2HG PRO 16 6.999 5.522 12.661 124 1HD PRO 16 1HD PRO 16 7.319 3.551 10.809 125 2HD PRO 16 2HD PRO 16 6.772 3.179 12.458 126 H ILE 17 H ILE 17 1.782 4.694 10.302 127 HA ILE 17 HA ILE 17 2.539 5.100 7.595 128 HB ILE 17 HB ILE 17 0.246 4.441 8.458 129 1HG1 ILE 17 1HG1 ILE 17 0.141 6.770 6.502 130 2HG1 ILE 17 2HG1 ILE 17 0.836 5.210 6.084 131 1HG2 ILE 17 1HG2 ILE 17 -1.303 5.981 9.152 132 2HG2 ILE 17 2HG2 ILE 17 0.113 6.372 10.135 133 3HG2 ILE 17 3HG2 ILE 17 -0.305 7.411 8.751 134 1HD1 ILE 17 1HD1 ILE 17 -1.338 4.100 6.703 135 2HD1 ILE 17 2HD1 ILE 17 -2.045 5.719 6.938 136 3HD1 ILE 17 3HD1 ILE 17 -1.458 5.228 5.339 137 H SER 18 H SER 18 2.899 6.915 6.408 138 HA SER 18 HA SER 18 3.775 9.322 7.872 139 1HB SER 18 1HB SER 18 5.042 7.877 6.051 140 2HB SER 18 2HB SER 18 4.053 8.824 4.917 141 HG SER 18 HG SER 18 5.891 9.712 6.882 142 H GLU 19 H GLU 19 3.556 11.260 6.206 143 HA GLU 19 HA GLU 19 0.670 11.732 5.978 144 1HB GLU 19 1HB GLU 19 3.029 13.653 6.050 145 2HB GLU 19 2HB GLU 19 1.340 14.118 5.775 146 1HG GLU 19 1HG GLU 19 1.676 14.565 8.005 147 2HG GLU 19 2HG GLU 19 0.691 13.109 7.940 148 H HIS 20 H HIS 20 3.603 11.998 3.880 149 HA HIS 20 HA HIS 20 1.819 12.520 1.527 150 1HB HIS 20 1HB HIS 20 4.593 13.561 2.212 151 2HB HIS 20 2HB HIS 20 3.939 13.632 0.604 152 HD1 HIS 20 1HD HIS 20 2.523 15.760 0.045 153 HD2 HIS 20 2HD HIS 20 3.035 14.977 4.168 154 HE1 HIS 20 1HE HIS 20 1.271 17.604 1.301 155 HE2 HIS 20 2HE HIS 20 1.602 17.131 3.824 156 H PHE 21 H PHE 21 1.604 10.475 0.761 157 HA PHE 21 HA PHE 21 3.387 8.479 0.174 158 1HB PHE 21 1HB PHE 21 1.066 8.394 -0.468 159 2HB PHE 21 2HB PHE 21 1.230 9.813 -1.492 160 HD1 PHE 21 1HD PHE 21 1.886 9.636 -3.799 161 HD2 PHE 21 2HD PHE 21 2.200 6.225 -1.168 162 HE1 PHE 21 1HE PHE 21 2.360 8.148 -5.759 163 HE2 PHE 21 2HE PHE 21 2.797 4.808 -3.084 164 HZ PHE 21 HZ PHE 21 2.858 5.779 -5.396 165 H GLY 22 H GLY 22 3.105 11.576 -1.683 166 1HA GLY 22 1HA GLY 22 5.186 10.913 -3.530 167 2HA GLY 22 2HA GLY 22 4.558 12.525 -3.197 168 H ARG 23 H ARG 23 5.732 11.474 -0.225 169 HA ARG 23 HA ARG 23 8.555 11.975 -0.639 170 1HB ARG 23 1HB ARG 23 7.717 14.295 -0.548 171 2HB ARG 23 2HB ARG 23 6.796 13.941 0.907 172 1HG ARG 23 1HG ARG 23 8.501 14.467 2.202 173 2HG ARG 23 2HG ARG 23 9.553 13.263 1.448 174 1HD ARG 23 1HD ARG 23 10.263 14.855 -0.252 175 2HD ARG 23 2HD ARG 23 9.120 16.071 0.352 176 HE ARG 23 HE ARG 23 10.670 15.392 2.542 177 1HH1 ARG 23 2HH2 ARG 23 11.230 17.113 -0.512 178 2HH1 ARG 23 1HH2 ARG 23 12.855 17.548 -0.103 179 1HH2 ARG 23 2HH1 ARG 23 12.518 16.457 3.268 180 2HH2 ARG 23 1HH1 ARG 23 13.305 17.617 2.289 181 H ALA 24 H ALA 24 7.853 9.732 -0.158 182 HA ALA 24 HA ALA 24 7.321 9.134 2.707 183 1HB ALA 24 1HB ALA 24 5.585 8.309 1.308 184 2HB ALA 24 2HB ALA 24 6.729 7.757 0.045 185 3HB ALA 24 3HB ALA 24 6.635 6.894 1.576 186 HA PRO 25 HA PRO 25 11.615 7.622 2.259 187 1HB PRO 25 1HB PRO 25 12.085 6.643 4.758 188 2HB PRO 25 2HB PRO 25 12.149 8.356 4.317 189 1HG PRO 25 1HG PRO 25 9.896 6.882 5.630 190 2HG PRO 25 2HG PRO 25 10.539 8.502 6.019 191 1HD PRO 25 1HD PRO 25 8.285 8.087 4.540 192 2HD PRO 25 2HD PRO 25 9.345 9.471 4.258 193 H TYR 26 H TYR 26 8.890 5.567 3.259 194 HA TYR 26 HA TYR 26 10.248 3.217 2.070 195 1HB TYR 26 1HB TYR 26 8.991 3.390 4.816 196 2HB TYR 26 2HB TYR 26 9.654 1.923 4.104 197 HD1 TYR 26 1HD TYR 26 12.216 1.917 3.645 198 HD2 TYR 26 2HD TYR 26 10.316 4.837 6.162 199 HE1 TYR 26 1HE TYR 26 14.399 2.408 4.706 200 HE2 TYR 26 2HE TYR 26 12.479 5.345 7.228 201 HH TYR 26 HH TYR 26 14.715 4.737 7.414 202 H PHE 27 H PHE 27 8.710 1.593 1.412 203 HA PHE 27 HA PHE 27 5.819 2.298 1.588 204 1HB PHE 27 1HB PHE 27 7.255 1.138 -0.835 205 2HB PHE 27 2HB PHE 27 5.607 1.092 -0.672 206 HD1 PHE 27 1HD PHE 27 7.647 2.689 -2.620 207 HD2 PHE 27 2HD PHE 27 4.777 3.735 0.393 208 HE1 PHE 27 1HE PHE 27 7.143 4.776 -3.852 209 HE2 PHE 27 2HE PHE 27 4.440 5.925 -0.747 210 HZ PHE 27 HZ PHE 27 5.522 6.431 -2.824 211 H ALA 28 H ALA 28 5.025 0.911 3.027 212 HA ALA 28 HA ALA 28 5.975 -1.889 3.241 213 1HB ALA 28 1HB ALA 28 3.927 -0.230 4.797 214 2HB ALA 28 2HB ALA 28 4.293 -1.932 5.104 215 3HB ALA 28 3HB ALA 28 5.528 -0.685 5.381 216 H PHE 29 H PHE 29 5.422 -2.479 1.136 217 HA PHE 29 HA PHE 29 2.539 -2.628 0.506 218 1HB PHE 29 1HB PHE 29 5.072 -3.398 -0.844 219 2HB PHE 29 2HB PHE 29 3.698 -4.462 -1.116 220 HD1 PHE 29 1HD PHE 29 1.318 -2.831 -1.450 221 HD2 PHE 29 2HD PHE 29 5.364 -2.012 -2.804 222 HE1 PHE 29 1HE PHE 29 0.448 -1.277 -3.121 223 HE2 PHE 29 2HE PHE 29 4.366 -0.672 -4.702 224 HZ PHE 29 HZ PHE 29 1.941 -0.227 -4.764 225 H VAL 30 H VAL 30 1.315 -4.424 1.086 226 HA VAL 30 HA VAL 30 2.592 -6.739 2.416 227 HB VAL 30 HB VAL 30 0.222 -5.089 3.449 228 1HG1 VAL 30 1HG1 VAL 30 0.223 -6.563 5.427 229 2HG1 VAL 30 2HG1 VAL 30 -0.171 -7.451 3.957 230 3HG1 VAL 30 3HG1 VAL 30 1.445 -7.593 4.669 231 1HG2 VAL 30 1HG2 VAL 30 1.717 -4.738 5.474 232 2HG2 VAL 30 2HG2 VAL 30 3.048 -5.509 4.566 233 3HG2 VAL 30 3HG2 VAL 30 2.367 -3.987 4.022 234 H LYS 31 H LYS 31 1.258 -8.643 2.218 235 HA LYS 31 HA LYS 31 -0.299 -8.513 -0.323 236 1HB LYS 31 1HB LYS 31 1.262 -10.716 1.119 237 2HB LYS 31 2HB LYS 31 0.263 -10.975 -0.312 238 1HG LYS 31 1HG LYS 31 1.644 -8.990 -1.334 239 2HG LYS 31 2HG LYS 31 2.804 -9.351 -0.068 240 1HD LYS 31 1HD LYS 31 3.168 -11.582 -0.903 241 2HD LYS 31 2HD LYS 31 1.724 -11.498 -1.941 242 1HE LYS 31 1HE LYS 31 2.748 -9.696 -3.266 243 2HE LYS 31 2HE LYS 31 4.241 -9.820 -2.307 244 1HZ LYS 31 1HZ LYS 31 4.225 -11.126 -4.466 245 2HZ LYS 31 2HZ LYS 31 4.580 -12.016 -3.142 246 3HZ LYS 31 3HZ LYS 31 3.095 -12.094 -3.825 247 H VAL 32 H VAL 32 -1.844 -10.772 -0.162 248 HA VAL 32 HA VAL 32 -2.989 -10.967 2.436 249 HB VAL 32 HB VAL 32 -4.277 -9.068 1.699 250 1HG1 VAL 32 1HG1 VAL 32 -5.804 -9.016 -0.150 251 2HG1 VAL 32 2HG1 VAL 32 -4.167 -9.327 -0.744 252 3HG1 VAL 32 3HG1 VAL 32 -5.351 -10.650 -0.652 253 1HG2 VAL 32 1HG2 VAL 32 -5.430 -10.651 3.135 254 2HG2 VAL 32 2HG2 VAL 32 -6.559 -9.900 2.014 255 3HG2 VAL 32 3HG2 VAL 32 -6.016 -11.562 1.718 256 H LYS 33 H LYS 33 -3.131 -13.064 2.768 257 HA LYS 33 HA LYS 33 -3.479 -15.032 0.569 258 1HB LYS 33 1HB LYS 33 -1.836 -15.501 2.439 259 2HB LYS 33 2HB LYS 33 -3.128 -15.425 3.579 260 1HG LYS 33 1HG LYS 33 -3.789 -17.289 1.378 261 2HG LYS 33 2HG LYS 33 -2.217 -17.655 2.063 262 1HD LYS 33 1HD LYS 33 -3.324 -18.908 3.554 263 2HD LYS 33 2HD LYS 33 -3.679 -17.407 4.374 264 1HE LYS 33 1HE LYS 33 -5.726 -18.575 4.233 265 2HE LYS 33 2HE LYS 33 -5.859 -17.288 3.026 266 1HZ LYS 33 1HZ LYS 33 -6.587 -19.577 2.288 267 2HZ LYS 33 2HZ LYS 33 -5.450 -18.900 1.313 268 3HZ LYS 33 3HZ LYS 33 -5.039 -20.061 2.390 269 H ASN 34 H ASN 34 -5.655 -14.440 -0.011 270 HA ASN 34 HA ASN 34 -7.838 -14.686 -0.004 271 1HB ASN 34 1HB ASN 34 -6.942 -16.932 1.241 272 2HB ASN 34 2HB ASN 34 -8.126 -16.369 2.397 273 1HD2 ASN 34 1HD2 ASN 34 -7.503 -17.705 -0.728 274 2HD2 ASN 34 2HD2 ASN 34 -9.149 -17.960 -1.249 275 H ASN 35 H ASN 35 -7.255 -14.533 3.544 276 HA ASN 35 HA ASN 35 -8.337 -11.814 3.642 277 1HB ASN 35 1HB ASN 35 -10.162 -13.752 4.103 278 2HB ASN 35 2HB ASN 35 -9.400 -13.713 5.697 279 1HD2 ASN 35 1HD2 ASN 35 -11.147 -12.776 6.848 280 2HD2 ASN 35 2HD2 ASN 35 -11.894 -11.260 6.386 281 H ALA 36 H ALA 36 -5.763 -13.577 4.262 282 HA ALA 36 HA ALA 36 -5.239 -12.450 6.949 283 1HB ALA 36 1HB ALA 36 -3.672 -14.380 7.241 284 2HB ALA 36 2HB ALA 36 -5.345 -14.919 7.046 285 3HB ALA 36 3HB ALA 36 -4.200 -15.029 5.674 286 H ILE 37 H ILE 37 -2.587 -12.206 7.111 287 HA ILE 37 HA ILE 37 -2.059 -10.200 5.301 288 HB ILE 37 HB ILE 37 -0.709 -11.477 7.592 289 1HG1 ILE 37 1HG1 ILE 37 -0.084 -9.062 8.030 290 2HG1 ILE 37 2HG1 ILE 37 -0.866 -8.630 6.510 291 1HG2 ILE 37 1HG2 ILE 37 1.520 -10.530 7.283 292 2HG2 ILE 37 2HG2 ILE 37 1.212 -11.804 6.114 293 3HG2 ILE 37 3HG2 ILE 37 1.140 -10.084 5.621 294 1HD1 ILE 37 1HD1 ILE 37 -3.026 -9.550 7.433 295 2HD1 ILE 37 2HD1 ILE 37 -2.166 -9.888 8.962 296 3HD1 ILE 37 3HD1 ILE 37 -2.347 -8.225 8.383 297 H ALA 38 H ALA 38 -1.345 -13.522 4.699 298 HA ALA 38 HA ALA 38 0.061 -14.632 3.322 299 1HB ALA 38 1HB ALA 38 -0.828 -13.944 1.300 300 2HB ALA 38 2HB ALA 38 -0.473 -12.241 1.597 301 3HB ALA 38 3HB ALA 38 0.820 -13.364 1.139 302 H ASP 39 H ASP 39 1.362 -11.251 3.279 303 HA ASP 39 HA ASP 39 3.703 -11.958 4.635 304 1HB ASP 39 1HB ASP 39 4.003 -13.046 2.182 305 2HB ASP 39 2HB ASP 39 4.452 -11.405 1.754 306 H ILE 40 H ILE 40 5.471 -10.220 4.348 307 HA ILE 40 HA ILE 40 4.257 -7.512 4.095 308 HB ILE 40 HB ILE 40 6.305 -8.766 5.955 309 1HG1 ILE 40 1HG1 ILE 40 3.856 -9.161 6.540 310 2HG1 ILE 40 2HG1 ILE 40 4.934 -8.564 7.777 311 1HG2 ILE 40 1HG2 ILE 40 6.454 -6.590 7.140 312 2HG2 ILE 40 2HG2 ILE 40 7.162 -6.608 5.529 313 3HG2 ILE 40 3HG2 ILE 40 5.570 -5.837 5.789 314 1HD1 ILE 40 1HD1 ILE 40 2.934 -6.839 6.289 315 2HD1 ILE 40 2HD1 ILE 40 2.713 -7.507 7.899 316 3HD1 ILE 40 3HD1 ILE 40 3.966 -6.301 7.633 317 H SER 41 H SER 41 5.506 -6.036 2.752 318 HA SER 41 HA SER 41 8.221 -6.665 1.832 319 1HB SER 41 1HB SER 41 5.612 -6.117 0.336 320 2HB SER 41 2HB SER 41 7.182 -5.849 -0.371 321 HG SER 41 HG SER 41 7.653 -8.077 0.033 322 H VAL 42 H VAL 42 8.528 -5.039 3.695 323 HA VAL 42 HA VAL 42 7.873 -2.279 2.888 324 HB VAL 42 HB VAL 42 9.382 -3.017 5.383 325 1HG1 VAL 42 1HG1 VAL 42 9.362 -0.667 4.889 326 2HG1 VAL 42 2HG1 VAL 42 7.626 -0.668 4.634 327 3HG1 VAL 42 3HG1 VAL 42 8.290 -0.965 6.263 328 1HG2 VAL 42 1HG2 VAL 42 7.536 -4.390 5.691 329 2HG2 VAL 42 2HG2 VAL 42 7.167 -2.946 6.609 330 3HG2 VAL 42 3HG2 VAL 42 6.391 -3.219 5.028 331 H GLU 43 H GLU 43 9.064 -1.973 1.118 332 HA GLU 43 HA GLU 43 12.024 -2.337 1.204 333 1HB GLU 43 1HB GLU 43 10.166 -1.497 -1.058 334 2HB GLU 43 2HB GLU 43 11.897 -1.827 -1.193 335 1HG GLU 43 1HG GLU 43 9.799 -3.898 -0.382 336 2HG GLU 43 2HG GLU 43 10.458 -3.689 -1.999 337 H GLU 44 H GLU 44 13.379 -0.485 0.447 338 HA GLU 44 HA GLU 44 12.754 2.066 1.681 339 1HB GLU 44 1HB GLU 44 14.894 1.125 -0.270 340 2HB GLU 44 2HB GLU 44 14.895 2.718 0.493 341 1HG GLU 44 1HG GLU 44 15.313 1.857 2.638 342 2HG GLU 44 2HG GLU 44 14.847 0.219 2.208 343 H ASN 45 H ASN 45 12.411 4.057 0.614 344 HA ASN 45 HA ASN 45 11.050 3.785 -1.980 345 1HB ASN 45 1HB ASN 45 10.663 5.509 0.069 346 2HB ASN 45 2HB ASN 45 11.705 6.492 -0.944 347 1HD2 ASN 45 1HD2 ASN 45 8.623 5.641 -0.303 348 2HD2 ASN 45 2HD2 ASN 45 7.831 5.861 -1.840 349 HA PRO 46 HA PRO 46 14.969 4.990 -4.006 350 1HB PRO 46 1HB PRO 46 14.077 5.121 -6.582 351 2HB PRO 46 2HB PRO 46 14.456 3.591 -5.745 352 1HG PRO 46 1HG PRO 46 11.730 4.842 -6.167 353 2HG PRO 46 2HG PRO 46 12.222 3.138 -6.382 354 1HD PRO 46 1HD PRO 46 10.982 4.100 -4.128 355 2HD PRO 46 2HD PRO 46 12.148 2.749 -4.058 356 H LEU 47 H LEU 47 11.818 6.654 -4.033 357 HA LEU 47 HA LEU 47 13.162 9.232 -4.705 358 1HB LEU 47 1HB LEU 47 10.471 8.248 -5.608 359 2HB LEU 47 2HB LEU 47 11.002 9.898 -5.777 360 HG LEU 47 HG LEU 47 11.127 9.218 -7.854 361 1HD1 LEU 47 1HD1 LEU 47 13.449 9.247 -8.521 362 2HD1 LEU 47 2HD1 LEU 47 13.204 10.325 -7.134 363 3HD1 LEU 47 3HD1 LEU 47 13.966 8.729 -6.913 364 1HD2 LEU 47 1HD2 LEU 47 10.819 6.781 -7.519 365 2HD2 LEU 47 2HD2 LEU 47 11.958 7.214 -8.804 366 3HD2 LEU 47 3HD2 LEU 47 12.579 6.656 -7.250 367 H ALA 48 H ALA 48 12.939 8.410 -2.081 368 HA ALA 48 HA ALA 48 10.569 9.471 -0.764 369 1HB ALA 48 1HB ALA 48 12.316 8.038 0.344 370 2HB ALA 48 2HB ALA 48 13.500 9.324 0.146 371 3HB ALA 48 3HB ALA 48 12.085 9.587 1.187 372 H GLN 49 H GLN 49 13.683 10.773 -1.796 373 HA GLN 49 HA GLN 49 12.801 13.572 -1.506 374 1HB GLN 49 1HB GLN 49 14.979 12.516 0.361 375 2HB GLN 49 2HB GLN 49 14.485 14.200 0.141 376 1HG GLN 49 1HG GLN 49 12.117 13.413 0.812 377 2HG GLN 49 2HG GLN 49 12.906 11.935 1.394 378 1HE2 GLN 49 1HE2 GLN 49 11.615 12.913 3.305 379 2HE2 GLN 49 2HE2 GLN 49 12.431 14.017 4.368 380 H ASP 50 H ASP 50 13.188 13.072 -3.746 381 HA ASP 50 HA ASP 50 15.825 14.024 -4.592 382 1HB ASP 50 1HB ASP 50 16.106 11.582 -4.666 383 2HB ASP 50 2HB ASP 50 14.657 11.404 -5.647 384 H HIS 51 H HIS 51 13.599 12.539 -6.840 385 HA HIS 51 HA HIS 51 12.966 14.822 -8.222 386 1HB HIS 51 1HB HIS 51 12.398 12.112 -8.469 387 2HB HIS 51 2HB HIS 51 10.798 12.783 -8.194 388 HD1 HIS 51 1HD HIS 51 13.039 11.961 -10.917 389 HD2 HIS 51 2HD HIS 51 10.637 15.321 -9.966 390 HE1 HIS 51 1HE HIS 51 12.800 13.323 -13.053 391 HE2 HIS 51 2HE HIS 51 11.388 15.390 -12.459 392 H VAL 52 H VAL 52 11.464 13.700 -5.308 393 HA VAL 52 HA VAL 52 9.722 14.116 -4.075 394 HB VAL 52 HB VAL 52 9.928 16.988 -5.040 395 1HG1 VAL 52 1HG1 VAL 52 7.745 16.553 -3.993 396 2HG1 VAL 52 2HG1 VAL 52 8.525 15.728 -2.626 397 3HG1 VAL 52 3HG1 VAL 52 8.752 17.468 -2.881 398 1HG2 VAL 52 1HG2 VAL 52 12.020 16.228 -3.985 399 2HG2 VAL 52 2HG2 VAL 52 11.158 17.297 -2.887 400 3HG2 VAL 52 3HG2 VAL 52 11.119 15.532 -2.620 401 H HIS 53 H HIS 53 8.152 12.892 -4.720 402 HA HIS 53 HA HIS 53 6.124 12.311 -5.378 403 1HB HIS 53 1HB HIS 53 5.830 14.844 -4.794 404 2HB HIS 53 2HB HIS 53 5.598 15.057 -6.521 405 HD1 HIS 53 1HD HIS 53 3.540 12.796 -7.280 406 HD2 HIS 53 2HD HIS 53 3.571 15.261 -3.833 407 HE1 HIS 53 1HE HIS 53 1.126 13.216 -6.646 408 HE2 HIS 53 2HE HIS 53 1.152 14.732 -4.531 409 H GLY 54 H GLY 54 7.870 14.072 -7.991 410 1HA GLY 54 1HA GLY 54 6.722 12.498 -10.145 411 2HA GLY 54 2HA GLY 54 8.302 13.311 -10.142 412 H ALA 55 H ALA 55 7.695 10.663 -11.106 413 HA ALA 55 HA ALA 55 8.210 8.573 -11.211 414 1HB ALA 55 1HB ALA 55 10.314 9.557 -11.768 415 2HB ALA 55 2HB ALA 55 10.835 9.525 -10.067 416 3HB ALA 55 3HB ALA 55 10.556 8.006 -10.952 417 H VAL 56 H VAL 56 8.080 9.577 -7.903 418 HA VAL 56 HA VAL 56 8.520 7.258 -6.484 419 HB VAL 56 HB VAL 56 6.546 9.532 -6.252 420 1HG1 VAL 56 1HG1 VAL 56 6.267 6.994 -4.698 421 2HG1 VAL 56 2HG1 VAL 56 5.699 8.555 -4.055 422 3HG1 VAL 56 3HG1 VAL 56 5.002 7.917 -5.541 423 1HG2 VAL 56 1HG2 VAL 56 8.591 8.458 -4.320 424 2HG2 VAL 56 2HG2 VAL 56 8.762 9.873 -5.406 425 3HG2 VAL 56 3HG2 VAL 56 7.593 9.905 -4.086 426 HA PRO 57 HA PRO 57 4.200 5.480 -7.479 427 1HB PRO 57 1HB PRO 57 3.075 6.523 -9.912 428 2HB PRO 57 2HB PRO 57 2.399 6.713 -8.270 429 1HG PRO 57 1HG PRO 57 3.505 8.747 -9.896 430 2HG PRO 57 2HG PRO 57 3.120 8.862 -8.150 431 1HD PRO 57 1HD PRO 57 5.730 8.484 -9.511 432 2HD PRO 57 2HD PRO 57 5.369 9.188 -7.922 433 H ASN 58 H ASN 58 6.550 6.382 -9.985 434 HA ASN 58 HA ASN 58 5.672 4.393 -11.877 435 1HB ASN 58 1HB ASN 58 7.184 6.485 -12.308 436 2HB ASN 58 2HB ASN 58 8.510 5.422 -11.810 437 1HD2 ASN 58 1HD2 ASN 58 9.138 3.664 -13.336 438 2HD2 ASN 58 2HD2 ASN 58 8.339 3.527 -14.853 439 H PHE 59 H PHE 59 8.022 4.488 -9.199 440 HA PHE 59 HA PHE 59 9.012 1.827 -9.481 441 1HB PHE 59 1HB PHE 59 10.214 3.250 -8.036 442 2HB PHE 59 2HB PHE 59 8.768 3.791 -7.190 443 HD1 PHE 59 1HD PHE 59 10.566 0.540 -7.897 444 HD2 PHE 59 2HD PHE 59 8.352 2.939 -5.067 445 HE1 PHE 59 1HE PHE 59 10.872 -1.224 -6.185 446 HE2 PHE 59 2HE PHE 59 8.693 1.105 -3.346 447 HZ PHE 59 HZ PHE 59 9.932 -0.889 -3.878 448 H VAL 60 H VAL 60 6.386 3.023 -7.226 449 HA VAL 60 HA VAL 60 5.743 0.315 -6.585 450 HB VAL 60 HB VAL 60 3.548 1.358 -5.716 451 1HG1 VAL 60 1HG1 VAL 60 4.720 2.158 -3.711 452 2HG1 VAL 60 2HG1 VAL 60 5.734 0.855 -4.362 453 3HG1 VAL 60 3HG1 VAL 60 6.175 2.518 -4.671 454 1HG2 VAL 60 1HG2 VAL 60 3.515 3.676 -5.275 455 2HG2 VAL 60 2HG2 VAL 60 5.049 3.936 -6.133 456 3HG2 VAL 60 3HG2 VAL 60 3.576 3.415 -7.029 457 H LYS 61 H LYS 61 4.490 2.264 -9.185 458 HA LYS 61 HA LYS 61 2.424 0.482 -10.079 459 1HB LYS 61 1HB LYS 61 4.153 2.455 -11.568 460 2HB LYS 61 2HB LYS 61 3.087 1.342 -12.401 461 1HG LYS 61 1HG LYS 61 1.137 2.299 -11.006 462 2HG LYS 61 2HG LYS 61 2.248 3.617 -10.619 463 1HD LYS 61 1HD LYS 61 1.388 2.651 -13.386 464 2HD LYS 61 2HD LYS 61 0.823 4.089 -12.552 465 1HE LYS 61 1HE LYS 61 3.074 5.103 -12.694 466 2HE LYS 61 2HE LYS 61 3.704 3.616 -13.436 467 1HZ LYS 61 1HZ LYS 61 3.223 5.329 -15.074 468 2HZ LYS 61 2HZ LYS 61 2.324 3.984 -15.326 469 3HZ LYS 61 3HZ LYS 61 1.658 5.371 -14.669 470 H GLU 62 H GLU 62 5.971 0.067 -10.126 471 HA GLU 62 HA GLU 62 5.794 -2.087 -12.070 472 1HB GLU 62 1HB GLU 62 8.002 -1.946 -12.150 473 2HB GLU 62 2HB GLU 62 7.848 -0.453 -11.255 474 1HG GLU 62 1HG GLU 62 8.242 -1.768 -9.120 475 2HG GLU 62 2HG GLU 62 8.394 -3.217 -10.093 476 H LYS 63 H LYS 63 5.013 -1.794 -8.673 477 HA LYS 63 HA LYS 63 6.043 -4.483 -8.032 478 1HB LYS 63 1HB LYS 63 4.670 -2.424 -6.272 479 2HB LYS 63 2HB LYS 63 5.534 -3.847 -5.706 480 1HG LYS 63 1HG LYS 63 6.826 -1.542 -7.195 481 2HG LYS 63 2HG LYS 63 6.807 -1.705 -5.449 482 1HD LYS 63 1HD LYS 63 7.925 -3.947 -7.155 483 2HD LYS 63 2HD LYS 63 8.864 -2.490 -6.877 484 1HE LYS 63 1HE LYS 63 8.815 -2.818 -4.465 485 2HE LYS 63 2HE LYS 63 7.623 -4.114 -4.611 486 1HZ LYS 63 1HZ LYS 63 9.323 -5.418 -5.797 487 2HZ LYS 63 2HZ LYS 63 10.434 -4.236 -5.569 488 3HZ LYS 63 3HZ LYS 63 9.794 -5.049 -4.288 489 H GLY 64 H GLY 64 3.766 -4.404 -9.811 490 1HA GLY 64 1HA GLY 64 1.764 -5.517 -10.164 491 2HA GLY 64 2HA GLY 64 2.408 -6.653 -8.978 492 H ALA 65 H ALA 65 1.499 -3.297 -8.017 493 HA ALA 65 HA ALA 65 0.075 -4.516 -5.849 494 1HB ALA 65 1HB ALA 65 -0.138 -2.262 -5.024 495 2HB ALA 65 2HB ALA 65 1.496 -2.522 -5.683 496 3HB ALA 65 3HB ALA 65 0.294 -1.589 -6.607 497 H GLU 66 H GLU 66 -2.087 -3.379 -5.123 498 HA GLU 66 HA GLU 66 -4.045 -3.171 -7.330 499 1HB GLU 66 1HB GLU 66 -3.847 -5.449 -5.383 500 2HB GLU 66 2HB GLU 66 -5.436 -4.898 -5.951 501 1HG GLU 66 1HG GLU 66 -4.645 -5.052 -8.292 502 2HG GLU 66 2HG GLU 66 -3.106 -5.744 -7.728 503 H LEU 67 H LEU 67 -3.221 -2.770 -3.866 504 HA LEU 67 HA LEU 67 -5.346 -0.761 -3.758 505 1HB LEU 67 1HB LEU 67 -6.157 -2.935 -2.887 506 2HB LEU 67 2HB LEU 67 -4.845 -3.008 -1.732 507 HG LEU 67 HG LEU 67 -7.204 -2.449 -0.985 508 1HD1 LEU 67 1HD1 LEU 67 -5.466 -2.278 0.580 509 2HD1 LEU 67 2HD1 LEU 67 -4.958 -0.685 -0.026 510 3HD1 LEU 67 3HD1 LEU 67 -6.522 -0.893 0.789 511 1HD2 LEU 67 1HD2 LEU 67 -6.629 0.391 -1.838 512 2HD2 LEU 67 2HD2 LEU 67 -7.702 -0.756 -2.675 513 3HD2 LEU 67 3HD2 LEU 67 -8.060 -0.256 -1.025 514 H VAL 68 H VAL 68 -4.907 0.853 -2.124 515 HA VAL 68 HA VAL 68 -2.164 1.001 -1.017 516 HB VAL 68 HB VAL 68 -3.418 3.322 -2.514 517 1HG1 VAL 68 1HG1 VAL 68 -1.319 4.320 -2.488 518 2HG1 VAL 68 2HG1 VAL 68 -1.323 3.480 -0.923 519 3HG1 VAL 68 3HG1 VAL 68 -0.461 2.788 -2.318 520 1HG2 VAL 68 1HG2 VAL 68 -3.274 1.645 -4.244 521 2HG2 VAL 68 2HG2 VAL 68 -2.034 2.858 -4.499 522 3HG2 VAL 68 3HG2 VAL 68 -1.585 1.273 -3.828 523 H ILE 69 H ILE 69 -2.176 2.179 0.961 524 HA ILE 69 HA ILE 69 -4.683 3.499 1.798 525 HB ILE 69 HB ILE 69 -2.941 1.598 3.399 526 1HG1 ILE 69 1HG1 ILE 69 -5.882 1.266 2.690 527 2HG1 ILE 69 2HG1 ILE 69 -4.557 0.492 1.823 528 1HG2 ILE 69 1HG2 ILE 69 -5.237 3.457 4.128 529 2HG2 ILE 69 2HG2 ILE 69 -4.801 2.065 5.100 530 3HG2 ILE 69 3HG2 ILE 69 -3.621 3.333 4.896 531 1HD1 ILE 69 1HD1 ILE 69 -5.397 -1.121 3.340 532 2HD1 ILE 69 2HD1 ILE 69 -3.812 -0.600 3.949 533 3HD1 ILE 69 3HD1 ILE 69 -5.299 -0.018 4.716 534 H VAL 70 H VAL 70 -4.140 5.586 2.075 535 HA VAL 70 HA VAL 70 -1.439 6.313 3.082 536 HB VAL 70 HB VAL 70 -1.201 7.964 1.342 537 1HG1 VAL 70 1HG1 VAL 70 -0.606 5.537 0.798 538 2HG1 VAL 70 2HG1 VAL 70 -2.110 5.473 -0.126 539 3HG1 VAL 70 3HG1 VAL 70 -0.832 6.611 -0.586 540 1HG2 VAL 70 1HG2 VAL 70 -3.485 8.702 0.932 541 2HG2 VAL 70 2HG2 VAL 70 -2.834 8.040 -0.585 542 3HG2 VAL 70 3HG2 VAL 70 -3.943 7.091 0.356 543 H ARG 71 H ARG 71 -1.412 8.787 3.503 544 HA ARG 71 HA ARG 71 -3.864 9.527 4.978 545 1HB ARG 71 1HB ARG 71 -1.530 9.356 6.043 546 2HB ARG 71 2HB ARG 71 -1.169 10.880 5.248 547 1HG ARG 71 1HG ARG 71 -2.369 12.051 6.805 548 2HG ARG 71 2HG ARG 71 -3.733 10.952 6.654 549 1HD ARG 71 1HD ARG 71 -2.167 9.363 8.128 550 2HD ARG 71 2HD ARG 71 -1.435 10.856 8.642 551 HE ARG 71 HE ARG 71 -4.287 9.987 8.760 552 1HH1 ARG 71 2HH2 ARG 71 -1.794 11.945 10.383 553 2HH1 ARG 71 1HH2 ARG 71 -2.804 12.348 11.703 554 1HH2 ARG 71 2HH1 ARG 71 -5.709 10.815 10.365 555 2HH2 ARG 71 1HH1 ARG 71 -5.097 11.714 11.689 556 H GLY 72 H GLY 72 -1.676 12.090 3.707 557 1HA GLY 72 1HA GLY 72 -4.037 13.231 2.489 558 2HA GLY 72 2HA GLY 72 -2.458 13.976 2.670 559 H ILE 73 H ILE 73 -1.180 11.668 1.128 560 HA ILE 73 HA ILE 73 -0.196 11.694 -0.885 561 HB ILE 73 HB ILE 73 -1.605 9.834 -0.748 562 1HG1 ILE 73 1HG1 ILE 73 -2.008 10.509 -3.649 563 2HG1 ILE 73 2HG1 ILE 73 -0.375 10.403 -2.991 564 1HG2 ILE 73 1HG2 ILE 73 -3.840 10.762 -0.469 565 2HG2 ILE 73 2HG2 ILE 73 -3.833 11.407 -2.118 566 3HG2 ILE 73 3HG2 ILE 73 -3.858 9.663 -1.834 567 1HD1 ILE 73 1HD1 ILE 73 -0.827 8.078 -2.281 568 2HD1 ILE 73 2HD1 ILE 73 -2.475 8.192 -2.927 569 3HD1 ILE 73 3HD1 ILE 73 -1.090 8.293 -4.019 570 H GLY 74 H GLY 74 -2.177 12.134 -3.393 571 1HA GLY 74 1HA GLY 74 -2.947 14.780 -3.541 572 2HA GLY 74 2HA GLY 74 -1.347 14.707 -4.299 573 H ARG 75 H ARG 75 -3.846 15.262 -5.701 574 HA ARG 75 HA ARG 75 -5.157 12.999 -6.713 575 1HB ARG 75 1HB ARG 75 -5.707 15.587 -6.804 576 2HB ARG 75 2HB ARG 75 -4.929 15.524 -8.376 577 1HG ARG 75 1HG ARG 75 -7.360 13.917 -7.455 578 2HG ARG 75 2HG ARG 75 -7.367 15.338 -8.496 579 1HD ARG 75 1HD ARG 75 -6.029 14.019 -10.197 580 2HD ARG 75 2HD ARG 75 -6.287 12.598 -9.165 581 HE ARG 75 HE ARG 75 -8.591 14.162 -10.210 582 1HH1 ARG 75 2HH2 ARG 75 -6.800 11.097 -10.266 583 2HH1 ARG 75 1HH2 ARG 75 -8.166 10.143 -10.728 584 1HH2 ARG 75 2HH1 ARG 75 -10.355 12.931 -11.097 585 2HH2 ARG 75 1HH1 ARG 75 -10.177 11.264 -11.361 586 H ARG 76 H ARG 76 -2.338 14.733 -8.082 587 HA ARG 76 HA ARG 76 -2.066 13.313 -10.502 588 1HB ARG 76 1HB ARG 76 -0.690 15.267 -9.862 589 2HB ARG 76 2HB ARG 76 0.086 14.319 -8.601 590 1HG ARG 76 1HG ARG 76 1.598 14.532 -10.389 591 2HG ARG 76 2HG ARG 76 1.130 12.856 -10.333 592 1HD ARG 76 1HD ARG 76 -0.392 14.662 -12.198 593 2HD ARG 76 2HD ARG 76 1.294 14.364 -12.591 594 HE ARG 76 HE ARG 76 -0.943 12.493 -12.672 595 1HH1 ARG 76 2HH2 ARG 76 2.626 12.715 -12.812 596 2HH1 ARG 76 1HH2 ARG 76 2.783 11.567 -14.090 597 1HH2 ARG 76 2HH1 ARG 76 -0.692 10.800 -14.218 598 2HH2 ARG 76 1HH1 ARG 76 0.879 10.322 -14.750 599 H ALA 77 H ALA 77 -1.347 12.200 -7.172 600 HA ALA 77 HA ALA 77 0.124 9.844 -8.179 601 1HB ALA 77 1HB ALA 77 -0.527 10.848 -5.393 602 2HB ALA 77 2HB ALA 77 0.241 9.288 -5.742 603 3HB ALA 77 3HB ALA 77 1.057 10.789 -6.207 604 H ILE 78 H ILE 78 -3.223 10.541 -6.724 605 HA ILE 78 HA ILE 78 -4.153 7.917 -6.792 606 HB ILE 78 HB ILE 78 -5.297 10.658 -7.352 607 1HG1 ILE 78 1HG1 ILE 78 -6.641 10.365 -5.514 608 2HG1 ILE 78 2HG1 ILE 78 -6.337 8.620 -5.372 609 1HG2 ILE 78 1HG2 ILE 78 -6.878 8.090 -7.665 610 2HG2 ILE 78 2HG2 ILE 78 -7.566 9.731 -7.607 611 3HG2 ILE 78 3HG2 ILE 78 -6.536 9.255 -8.944 612 1HD1 ILE 78 1HD1 ILE 78 -5.383 9.868 -3.560 613 2HD1 ILE 78 2HD1 ILE 78 -4.058 9.182 -4.550 614 3HD1 ILE 78 3HD1 ILE 78 -4.475 10.910 -4.681 615 H ALA 79 H ALA 79 -3.704 10.282 -9.477 616 HA ALA 79 HA ALA 79 -4.805 8.599 -11.462 617 1HB ALA 79 1HB ALA 79 -4.580 11.068 -11.622 618 2HB ALA 79 2HB ALA 79 -2.828 10.857 -11.871 619 3HB ALA 79 3HB ALA 79 -3.978 10.204 -13.049 620 H ALA 80 H ALA 80 -1.705 8.050 -9.913 621 HA ALA 80 HA ALA 80 -0.554 6.736 -12.284 622 1HB ALA 80 1HB ALA 80 0.121 6.589 -9.309 623 2HB ALA 80 2HB ALA 80 0.946 5.734 -10.617 624 3HB ALA 80 3HB ALA 80 0.995 7.524 -10.560 625 H PHE 81 H PHE 81 -2.076 5.737 -9.074 626 HA PHE 81 HA PHE 81 -2.150 3.063 -9.660 627 1HB PHE 81 1HB PHE 81 -3.741 4.939 -7.857 628 2HB PHE 81 2HB PHE 81 -3.707 3.207 -7.687 629 HD1 PHE 81 1HD PHE 81 -2.434 5.943 -6.128 630 HD2 PHE 81 2HD PHE 81 -1.012 2.290 -7.944 631 HE1 PHE 81 1HE PHE 81 -0.453 5.935 -4.619 632 HE2 PHE 81 2HE PHE 81 0.923 2.285 -6.464 633 HZ PHE 81 HZ PHE 81 1.194 4.065 -4.752 634 H GLU 82 H GLU 82 -4.539 5.685 -10.388 635 HA GLU 82 HA GLU 82 -6.513 4.008 -11.501 636 1HB GLU 82 1HB GLU 82 -5.646 6.840 -12.150 637 2HB GLU 82 2HB GLU 82 -6.957 6.049 -12.983 638 1HG GLU 82 1HG GLU 82 -7.954 5.560 -10.620 639 2HG GLU 82 2HG GLU 82 -6.814 6.778 -10.046 640 H ALA 83 H ALA 83 -3.245 4.510 -12.813 641 HA ALA 83 HA ALA 83 -3.977 3.916 -15.569 642 1HB ALA 83 1HB ALA 83 -1.843 5.100 -14.870 643 2HB ALA 83 2HB ALA 83 -1.288 3.543 -14.188 644 3HB ALA 83 3HB ALA 83 -1.596 3.684 -15.912 645 H MET 84 H MET 84 -3.796 2.151 -12.664 646 HA MET 84 HA MET 84 -4.142 -0.380 -14.207 647 1HB MET 84 1HB MET 84 -2.900 -1.358 -12.036 648 2HB MET 84 2HB MET 84 -2.119 -0.882 -13.530 649 1HG MET 84 1HG MET 84 -1.568 1.357 -12.435 650 2HG MET 84 2HG MET 84 -2.257 0.732 -10.961 651 1HE MET 84 1HE MET 84 1.565 -0.879 -13.065 652 2HE MET 84 2HE MET 84 -0.028 -1.228 -13.712 653 3HE MET 84 3HE MET 84 0.558 0.449 -13.674 654 H GLY 85 H GLY 85 -6.014 1.625 -12.719 655 1HA GLY 85 1HA GLY 85 -7.848 1.510 -11.339 656 2HA GLY 85 2HA GLY 85 -7.983 -0.189 -11.832 657 H VAL 86 H VAL 86 -5.244 1.259 -10.078 658 HA VAL 86 HA VAL 86 -5.441 -0.737 -7.951 659 HB VAL 86 HB VAL 86 -3.360 1.370 -8.819 660 1HG1 VAL 86 1HG1 VAL 86 -3.299 1.469 -6.379 661 2HG1 VAL 86 2HG1 VAL 86 -3.399 -0.289 -6.227 662 3HG1 VAL 86 3HG1 VAL 86 -1.940 0.460 -6.899 663 1HG2 VAL 86 1HG2 VAL 86 -3.526 -0.894 -9.909 664 2HG2 VAL 86 2HG2 VAL 86 -1.993 -0.637 -9.042 665 3HG2 VAL 86 3HG2 VAL 86 -3.268 -1.614 -8.327 666 H LYS 87 H LYS 87 -6.770 -0.361 -6.266 667 HA LYS 87 HA LYS 87 -8.135 2.205 -6.204 668 1HB LYS 87 1HB LYS 87 -9.462 0.302 -5.853 669 2HB LYS 87 2HB LYS 87 -8.391 -0.377 -4.640 670 1HG LYS 87 1HG LYS 87 -9.096 1.215 -2.982 671 2HG LYS 87 2HG LYS 87 -9.699 2.305 -4.230 672 1HD LYS 87 1HD LYS 87 -11.486 1.176 -2.853 673 2HD LYS 87 2HD LYS 87 -11.649 1.075 -4.596 674 1HE LYS 87 1HE LYS 87 -10.413 -1.241 -4.353 675 2HE LYS 87 2HE LYS 87 -10.891 -1.115 -2.647 676 1HZ LYS 87 1HZ LYS 87 -12.539 -2.274 -3.943 677 2HZ LYS 87 2HZ LYS 87 -13.194 -0.828 -3.474 678 3HZ LYS 87 3HZ LYS 87 -12.665 -1.032 -5.012 679 H VAL 88 H VAL 88 -8.114 3.742 -4.493 680 HA VAL 88 HA VAL 88 -5.654 3.681 -2.826 681 HB VAL 88 HB VAL 88 -6.722 6.164 -4.219 682 1HG1 VAL 88 1HG1 VAL 88 -5.243 6.417 -2.200 683 2HG1 VAL 88 2HG1 VAL 88 -3.979 5.511 -3.051 684 3HG1 VAL 88 3HG1 VAL 88 -4.533 7.075 -3.682 685 1HG2 VAL 88 1HG2 VAL 88 -4.828 5.945 -5.827 686 2HG2 VAL 88 2HG2 VAL 88 -4.558 4.282 -5.242 687 3HG2 VAL 88 3HG2 VAL 88 -6.069 4.729 -6.060 688 H ILE 89 H ILE 89 -6.301 3.603 -0.789 689 HA ILE 89 HA ILE 89 -8.719 5.021 0.142 690 HB ILE 89 HB ILE 89 -6.978 2.782 1.214 691 1HG1 ILE 89 1HG1 ILE 89 -9.975 3.035 0.728 692 2HG1 ILE 89 2HG1 ILE 89 -8.843 2.312 -0.415 693 1HG2 ILE 89 1HG2 ILE 89 -7.388 4.289 3.130 694 2HG2 ILE 89 2HG2 ILE 89 -9.127 4.235 2.797 695 3HG2 ILE 89 3HG2 ILE 89 -8.249 2.763 3.272 696 1HD1 ILE 89 1HD1 ILE 89 -8.281 0.608 1.335 697 2HD1 ILE 89 2HD1 ILE 89 -9.634 1.260 2.305 698 3HD1 ILE 89 3HD1 ILE 89 -9.946 0.571 0.704 699 H LYS 90 H LYS 90 -8.447 6.861 1.428 700 HA LYS 90 HA LYS 90 -5.686 7.806 1.941 701 1HB LYS 90 1HB LYS 90 -7.941 9.563 0.909 702 2HB LYS 90 2HB LYS 90 -6.276 9.990 1.086 703 1HG LYS 90 1HG LYS 90 -6.290 9.740 -1.151 704 2HG LYS 90 2HG LYS 90 -5.788 8.122 -0.683 705 1HD LYS 90 1HD LYS 90 -7.460 7.910 -2.413 706 2HD LYS 90 2HD LYS 90 -8.243 7.420 -0.900 707 1HE LYS 90 1HE LYS 90 -9.037 9.819 -0.687 708 2HE LYS 90 2HE LYS 90 -8.466 10.087 -2.308 709 1HZ LYS 90 1HZ LYS 90 -10.086 8.195 -2.923 710 2HZ LYS 90 2HZ LYS 90 -10.634 8.265 -1.382 711 3HZ LYS 90 3HZ LYS 90 -10.805 9.556 -2.289 712 H GLY 91 H GLY 91 -5.811 9.744 3.461 713 1HA GLY 91 1HA GLY 91 -6.474 10.686 5.451 714 2HA GLY 91 2HA GLY 91 -8.097 10.071 5.133 715 H ALA 92 H ALA 92 -5.652 7.587 5.194 716 HA ALA 92 HA ALA 92 -6.844 6.373 7.570 717 1HB ALA 92 1HB ALA 92 -6.075 5.026 5.647 718 2HB ALA 92 2HB ALA 92 -4.409 5.623 5.881 719 3HB ALA 92 3HB ALA 92 -5.169 4.597 7.112 720 H SER 93 H SER 93 -5.169 5.484 9.284 721 HA SER 93 HA SER 93 -2.855 7.084 9.853 722 1HB SER 93 1HB SER 93 -3.792 7.770 12.144 723 2HB SER 93 2HB SER 93 -4.175 8.719 10.708 724 HG SER 93 HG SER 93 -5.789 7.149 12.310 725 H GLY 94 H GLY 94 -1.625 6.094 11.557 726 1HA GLY 94 1HA GLY 94 -1.753 4.506 13.519 727 2HA GLY 94 2HA GLY 94 -2.634 3.408 12.465 728 H THR 95 H THR 95 -0.742 1.993 13.312 729 HA THR 95 HA THR 95 1.700 2.274 11.675 730 HB THR 95 HB THR 95 2.299 0.134 12.859 731 HG1 THR 95 1HG THR 95 0.781 -0.305 14.700 732 1HG2 THR 95 1HG2 THR 95 2.891 2.372 13.835 733 2HG2 THR 95 2HG2 THR 95 1.413 2.298 14.820 734 3HG2 THR 95 3HG2 THR 95 2.702 1.091 15.031 735 H VAL 96 H VAL 96 2.309 0.100 10.515 736 HA VAL 96 HA VAL 96 0.404 -0.313 8.460 737 HB VAL 96 HB VAL 96 2.962 -1.669 9.335 738 1HG1 VAL 96 1HG1 VAL 96 2.968 -3.079 7.284 739 2HG1 VAL 96 2HG1 VAL 96 1.743 -3.588 8.451 740 3HG1 VAL 96 3HG1 VAL 96 1.260 -2.664 7.016 741 1HG2 VAL 96 1HG2 VAL 96 2.193 -0.336 6.741 742 2HG2 VAL 96 2HG2 VAL 96 2.843 0.518 8.147 743 3HG2 VAL 96 3HG2 VAL 96 3.819 -0.732 7.332 744 H GLU 97 H GLU 97 1.261 -2.359 11.281 745 HA GLU 97 HA GLU 97 -0.422 -4.506 10.488 746 1HB GLU 97 1HB GLU 97 -0.513 -5.263 12.790 747 2HB GLU 97 2HB GLU 97 1.115 -4.977 12.217 748 1HG GLU 97 1HG GLU 97 1.461 -3.137 13.571 749 2HG GLU 97 2HG GLU 97 -0.239 -2.777 13.789 750 H GLU 98 H GLU 98 -1.122 -1.563 12.204 751 HA GLU 98 HA GLU 98 -3.738 -2.223 13.190 752 1HB GLU 98 1HB GLU 98 -2.142 -0.605 14.203 753 2HB GLU 98 2HB GLU 98 -2.289 0.434 12.784 754 1HG GLU 98 1HG GLU 98 -4.804 0.556 13.319 755 2HG GLU 98 2HG GLU 98 -4.389 -0.161 14.888 756 H VAL 99 H VAL 99 -2.556 0.026 10.584 757 HA VAL 99 HA VAL 99 -5.021 0.748 9.527 758 HB VAL 99 HB VAL 99 -2.160 0.478 8.472 759 1HG1 VAL 99 1HG1 VAL 99 -4.477 1.857 7.152 760 2HG1 VAL 99 2HG1 VAL 99 -2.769 1.982 6.631 761 3HG1 VAL 99 3HG1 VAL 99 -3.618 0.436 6.504 762 1HG2 VAL 99 1HG2 VAL 99 -1.996 2.853 8.762 763 2HG2 VAL 99 2HG2 VAL 99 -3.740 3.024 9.007 764 3HG2 VAL 99 3HG2 VAL 99 -2.735 2.264 10.261 765 H VAL 100 H VAL 100 -2.929 -2.099 8.740 766 HA VAL 100 HA VAL 100 -4.593 -2.905 6.505 767 HB VAL 100 HB VAL 100 -2.474 -4.349 8.122 768 1HG1 VAL 100 1HG1 VAL 100 -2.432 -6.069 6.332 769 2HG1 VAL 100 2HG1 VAL 100 -3.982 -6.080 7.168 770 3HG1 VAL 100 3HG1 VAL 100 -3.856 -5.314 5.574 771 1HG2 VAL 100 1HG2 VAL 100 -2.470 -3.205 5.291 772 2HG2 VAL 100 2HG2 VAL 100 -1.630 -2.533 6.697 773 3HG2 VAL 100 3HG2 VAL 100 -1.124 -4.089 6.045 774 H ASN 101 H ASN 101 -4.644 -3.525 10.069 775 HA ASN 101 HA ASN 101 -6.715 -5.550 9.806 776 1HB ASN 101 1HB ASN 101 -5.309 -5.357 11.856 777 2HB ASN 101 2HB ASN 101 -6.071 -3.801 12.212 778 1HD2 ASN 101 1HD2 ASN 101 -7.637 -4.277 13.953 779 2HD2 ASN 101 2HD2 ASN 101 -8.750 -5.640 13.806 780 H GLN 102 H GLN 102 -6.750 -2.000 10.262 781 HA GLN 102 HA GLN 102 -9.577 -1.724 10.597 782 1HB GLN 102 1HB GLN 102 -7.671 0.249 9.238 783 2HB GLN 102 2HB GLN 102 -9.307 0.586 9.806 784 1HG GLN 102 1HG GLN 102 -8.519 -0.081 12.138 785 2HG GLN 102 2HG GLN 102 -6.902 -0.139 11.513 786 1HE2 GLN 102 1HE2 GLN 102 -5.813 1.601 12.303 787 2HE2 GLN 102 2HE2 GLN 102 -6.426 3.186 12.473 788 H TYR 103 H TYR 103 -7.567 -1.730 7.630 789 HA TYR 103 HA TYR 103 -9.710 -1.427 5.796 790 1HB TYR 103 1HB TYR 103 -7.483 -0.918 5.201 791 2HB TYR 103 2HB TYR 103 -6.896 -2.522 5.597 792 HD1 TYR 103 1HD TYR 103 -9.378 -0.779 3.428 793 HD2 TYR 103 2HD TYR 103 -6.840 -4.226 3.897 794 HE1 TYR 103 1HE TYR 103 -10.109 -1.622 1.199 795 HE2 TYR 103 2HE TYR 103 -7.612 -5.110 1.723 796 HH TYR 103 HH TYR 103 -9.468 -4.869 0.202 797 H LEU 104 H LEU 104 -8.079 -4.459 6.966 798 HA LEU 104 HA LEU 104 -9.733 -6.159 5.327 799 1HB LEU 104 1HB LEU 104 -8.223 -6.699 7.925 800 2HB LEU 104 2HB LEU 104 -9.127 -7.925 7.059 801 HG LEU 104 HG LEU 104 -6.620 -6.516 6.096 802 1HD1 LEU 104 1HD1 LEU 104 -6.430 -8.463 7.680 803 2HD1 LEU 104 2HD1 LEU 104 -7.290 -9.465 6.511 804 3HD1 LEU 104 3HD1 LEU 104 -5.705 -8.779 6.094 805 1HD2 LEU 104 1HD2 LEU 104 -8.003 -6.678 4.123 806 2HD2 LEU 104 2HD2 LEU 104 -6.786 -7.957 4.067 807 3HD2 LEU 104 3HD2 LEU 104 -8.460 -8.361 4.535 808 H SER 105 H SER 105 -10.267 -4.534 8.411 809 HA SER 105 HA SER 105 -12.725 -5.967 9.008 810 1HB SER 105 1HB SER 105 -11.558 -3.398 10.129 811 2HB SER 105 2HB SER 105 -12.948 -4.293 10.758 812 HG SER 105 HG SER 105 -10.241 -5.106 10.597 813 H GLY 106 H GLY 106 -11.999 -3.812 6.537 814 1HA GLY 106 1HA GLY 106 -13.254 -2.590 5.118 815 2HA GLY 106 2HA GLY 106 -14.699 -3.308 5.836 816 H GLN 107 H GLN 107 -12.620 -1.596 8.082 817 HA GLN 107 HA GLN 107 -14.709 0.396 8.621 818 1HB GLN 107 1HB GLN 107 -11.833 0.130 9.620 819 2HB GLN 107 2HB GLN 107 -13.000 1.291 10.220 820 1HG GLN 107 1HG GLN 107 -13.702 -1.650 10.400 821 2HG GLN 107 2HG GLN 107 -12.466 -1.002 11.463 822 1HE2 GLN 107 1HE2 GLN 107 -15.897 -0.438 10.473 823 2HE2 GLN 107 2HE2 GLN 107 -16.342 0.371 11.970 824 H LEU 108 H LEU 108 -11.429 0.201 7.323 825 HA LEU 108 HA LEU 108 -11.162 2.942 6.760 826 1HB LEU 108 1HB LEU 108 -9.513 0.812 6.970 827 2HB LEU 108 2HB LEU 108 -9.555 0.894 5.230 828 HG LEU 108 HG LEU 108 -8.716 3.219 5.343 829 1HD1 LEU 108 1HD1 LEU 108 -7.821 4.121 7.455 830 2HD1 LEU 108 2HD1 LEU 108 -9.564 4.013 7.493 831 3HD1 LEU 108 3HD1 LEU 108 -8.586 2.780 8.338 832 1HD2 LEU 108 1HD2 LEU 108 -7.122 1.411 5.173 833 2HD2 LEU 108 2HD2 LEU 108 -6.484 2.597 6.336 834 3HD2 LEU 108 3HD2 LEU 108 -7.208 1.095 6.921 835 H LYS 109 H LYS 109 -11.552 4.109 5.046 836 HA LYS 109 HA LYS 109 -12.571 2.803 2.566 837 1HB LYS 109 1HB LYS 109 -14.340 3.795 4.469 838 2HB LYS 109 2HB LYS 109 -14.155 5.186 3.401 839 1HG LYS 109 1HG LYS 109 -15.968 3.932 2.497 840 2HG LYS 109 2HG LYS 109 -14.592 3.601 1.451 841 1HD LYS 109 1HD LYS 109 -14.307 1.575 3.307 842 2HD LYS 109 2HD LYS 109 -16.027 1.785 3.392 843 1HE LYS 109 1HE LYS 109 -14.432 1.231 0.834 844 2HE LYS 109 2HE LYS 109 -15.220 -0.004 1.828 845 1HZ LYS 109 1HZ LYS 109 -17.331 1.307 1.391 846 2HZ LYS 109 2HZ LYS 109 -16.502 2.083 0.230 847 3HZ LYS 109 3HZ LYS 109 -16.690 0.457 0.114 848 H ASP 110 H ASP 110 -12.670 3.968 0.733 849 HA ASP 110 HA ASP 110 -10.507 5.821 0.169 850 1HB ASP 110 1HB ASP 110 -11.124 5.186 -2.166 851 2HB ASP 110 2HB ASP 110 -10.830 3.769 -1.178 852 H SER 111 H SER 111 -12.799 6.892 1.679 853 HA SER 111 HA SER 111 -14.631 8.289 0.093 854 1HB SER 111 1HB SER 111 -14.718 9.788 2.103 855 2HB SER 111 2HB SER 111 -14.922 8.042 2.440 856 HG SER 111 HG SER 111 -12.622 9.663 2.893 857 H ASP 112 H ASP 112 -14.682 10.633 -0.317 858 HA ASP 112 HA ASP 112 -13.975 12.640 -0.980 859 1HB ASP 112 1HB ASP 112 -12.697 13.024 0.982 860 2HB ASP 112 2HB ASP 112 -11.373 11.993 0.403 861 H TYR 113 H TYR 113 -14.400 11.993 -3.004 862 HA TYR 113 HA TYR 113 -12.069 11.752 -4.774 863 1HB TYR 113 1HB TYR 113 -13.302 9.428 -4.072 864 2HB TYR 113 2HB TYR 113 -14.347 9.896 -5.403 865 HD1 TYR 113 1HD TYR 113 -13.625 9.260 -7.616 866 HD2 TYR 113 2HD TYR 113 -10.766 9.691 -4.446 867 HE1 TYR 113 1HE TYR 113 -11.887 8.179 -9.048 868 HE2 TYR 113 2HE TYR 113 -9.015 8.558 -5.850 869 HH TYR 113 HH TYR 113 -9.223 7.945 -9.139 870 H GLU 114 H GLU 114 -13.193 11.505 -7.194 871 HA GLU 114 HA GLU 114 -14.699 13.966 -7.525 872 1HB GLU 114 1HB GLU 114 -14.600 13.623 -9.850 873 2HB GLU 114 2HB GLU 114 -12.999 13.369 -9.177 874 1HG GLU 114 1HG GLU 114 -13.166 10.996 -9.534 875 2HG GLU 114 2HG GLU 114 -14.908 11.110 -9.892 876 H VAL 115 H VAL 115 -16.715 13.860 -8.935 877 HA VAL 115 HA VAL 115 -18.364 11.472 -8.487 878 HB VAL 115 HB VAL 115 -18.853 12.617 -6.477 879 1HG1 VAL 115 1HG1 VAL 115 -19.774 15.094 -7.966 880 2HG1 VAL 115 2HG1 VAL 115 -19.753 14.812 -6.222 881 3HG1 VAL 115 3HG1 VAL 115 -18.222 14.969 -7.086 882 1HG2 VAL 115 1HG2 VAL 115 -20.719 11.547 -7.705 883 2HG2 VAL 115 2HG2 VAL 115 -21.255 12.836 -6.622 884 3HG2 VAL 115 3HG2 VAL 115 -21.185 13.121 -8.374 885 H HIS 116 H HIS 116 -18.516 14.864 -9.783 886 HA HIS 116 HA HIS 116 -19.176 13.760 -12.412 887 1HB HIS 116 1HB HIS 116 -21.016 15.548 -10.773 888 2HB HIS 116 2HB HIS 116 -21.038 15.596 -12.522 889 HD1 HIS 116 1HD HIS 116 -23.493 14.458 -10.627 890 HD2 HIS 116 2HD HIS 116 -20.807 12.479 -13.254 891 HE1 HIS 116 1HE HIS 116 -24.737 12.464 -11.640 892 HE2 HIS 116 2HE HIS 116 -23.130 11.278 -13.197 893 H ASP 117 H ASP 117 -19.783 16.656 -13.286 894 HA ASP 117 HA ASP 117 -17.174 17.472 -13.946 895 1HB ASP 117 1HB ASP 117 -18.044 19.499 -14.702 896 2HB ASP 117 2HB ASP 117 -19.254 18.270 -15.058 897 H HIS 118 H HIS 118 -15.665 18.698 -12.947 898 HA HIS 118 HA HIS 118 -16.150 20.610 -10.952 899 1HB HIS 118 1HB HIS 118 -16.290 18.680 -9.414 900 2HB HIS 118 2HB HIS 118 -14.734 18.103 -9.970 901 HD1 HIS 118 1HD HIS 118 -14.056 18.235 -7.341 902 HD2 HIS 118 2HD HIS 118 -14.919 21.917 -9.283 903 HE1 HIS 118 1HE HIS 118 -13.313 20.153 -5.766 904 HE2 HIS 118 2HE HIS 118 -13.740 22.335 -6.957 905 H HIS 119 H HIS 119 -13.305 18.349 -11.643 906 HA HIS 119 HA HIS 119 -12.181 20.371 -13.363 907 1HB HIS 119 1HB HIS 119 -10.936 19.723 -10.669 908 2HB HIS 119 2HB HIS 119 -9.945 20.299 -12.000 909 HD1 HIS 119 1HD HIS 119 -11.466 22.648 -13.205 910 HD2 HIS 119 2HD HIS 119 -11.338 21.770 -9.065 911 HE1 HIS 119 1HE HIS 119 -12.125 24.807 -11.959 912 HE2 HIS 119 2HE HIS 119 -12.014 24.262 -9.450 913 H HIS 120 H HIS 120 -10.060 19.620 -14.250 914 HA HIS 120 HA HIS 120 -9.851 16.647 -14.303 915 1HB HIS 120 1HB HIS 120 -9.746 18.464 -16.737 916 2HB HIS 120 2HB HIS 120 -9.493 16.726 -16.721 917 HD1 HIS 120 1HD HIS 120 -11.888 15.516 -15.267 918 HD2 HIS 120 2HD HIS 120 -12.063 18.932 -17.755 919 HE1 HIS 120 1HE HIS 120 -14.303 15.697 -16.092 920 HE2 HIS 120 2HE HIS 120 -14.407 17.813 -17.617 921 H HIS 121 H HIS 121 -7.984 19.424 -15.732 922 HA HIS 121 HA HIS 121 -5.835 20.015 -15.600 923 1HB HIS 121 1HB HIS 121 -6.406 19.257 -12.883 924 2HB HIS 121 2HB HIS 121 -4.814 18.652 -13.269 925 HD1 HIS 121 1HD HIS 121 -6.615 22.064 -13.908 926 HD2 HIS 121 2HD HIS 121 -3.056 20.338 -12.393 927 HE1 HIS 121 1HE HIS 121 -5.115 24.012 -13.056 928 HE2 HIS 121 2HE HIS 121 -2.946 22.953 -12.186 929 H GLU 122 H GLU 122 -3.439 18.819 -15.209 930 HA GLU 122 HA GLU 122 -1.973 17.622 -16.306 931 1HB GLU 122 1HB GLU 122 -2.378 15.753 -15.097 932 2HB GLU 122 2HB GLU 122 -3.974 15.481 -15.738 933 1HG GLU 122 1HG GLU 122 -1.908 15.229 -17.850 934 2HG GLU 122 2HG GLU 122 -1.637 14.172 -16.465 935 H HIS 123 H HIS 123 -4.879 16.434 -18.037 936 HA HIS 123 HA HIS 123 -5.494 16.493 -20.185 937 1HB HIS 123 1HB HIS 123 -5.707 18.931 -19.792 938 2HB HIS 123 2HB HIS 123 -4.056 19.158 -20.344 939 HD1 HIS 123 1HD HIS 123 -7.587 18.711 -21.784 940 HD2 HIS 123 2HD HIS 123 -3.538 18.732 -23.014 941 HE1 HIS 123 1HE HIS 123 -7.570 19.061 -24.310 942 HE2 HIS 123 2HE HIS 123 -5.115 19.008 -25.062 943 H HIS 124 H HIS 124 -4.074 14.620 -20.317 944 HA HIS 124 HA HIS 124 -2.993 13.276 -21.786 945 1HB HIS 124 1HB HIS 124 -3.167 15.697 -23.615 946 2HB HIS 124 2HB HIS 124 -2.353 14.222 -24.075 947 HD1 HIS 124 1HD HIS 124 -3.798 12.872 -25.669 948 HD2 HIS 124 2HD HIS 124 -5.990 14.846 -22.628 949 HE1 HIS 124 1HE HIS 124 -6.259 12.362 -26.095 950 HE2 HIS 124 2HE HIS 124 -7.594 13.450 -24.240 Start of MODEL 12 1 1H MET 1 1H MET 1 -4.346 -10.171 -4.392 2 HA MET 1 HA MET 1 -3.708 -7.784 -4.847 3 1HB MET 1 1HB MET 1 -5.901 -8.104 -4.073 4 2HB MET 1 2HB MET 1 -5.401 -8.555 -2.456 5 1HG MET 1 1HG MET 1 -4.659 -6.311 -1.955 6 2HG MET 1 2HG MET 1 -4.883 -5.795 -3.610 7 1HE MET 1 1HE MET 1 -7.389 -5.752 -4.797 8 2HE MET 1 2HE MET 1 -7.974 -7.273 -4.088 9 3HE MET 1 3HE MET 1 -8.882 -5.771 -3.845 10 H ILE 2 H ILE 2 -2.392 -6.051 -4.209 11 HA ILE 2 HA ILE 2 -0.711 -6.476 -1.808 12 HB ILE 2 HB ILE 2 0.256 -5.331 -4.419 13 1HG1 ILE 2 1HG1 ILE 2 0.148 -8.240 -3.580 14 2HG1 ILE 2 2HG1 ILE 2 -0.450 -7.456 -5.061 15 1HG2 ILE 2 1HG2 ILE 2 1.484 -5.059 -2.103 16 2HG2 ILE 2 2HG2 ILE 2 2.025 -6.688 -2.430 17 3HG2 ILE 2 3HG2 ILE 2 2.389 -5.411 -3.584 18 1HD1 ILE 2 1HD1 ILE 2 2.447 -7.959 -4.280 19 2HD1 ILE 2 2HD1 ILE 2 1.540 -8.776 -5.553 20 3HD1 ILE 2 3HD1 ILE 2 1.942 -7.053 -5.721 21 H ILE 3 H ILE 3 -0.369 -4.657 -0.632 22 HA ILE 3 HA ILE 3 -2.169 -2.375 -1.166 23 HB ILE 3 HB ILE 3 -1.803 -4.057 1.341 24 1HG1 ILE 3 1HG1 ILE 3 -4.535 -3.958 0.280 25 2HG1 ILE 3 2HG1 ILE 3 -3.461 -4.625 -0.923 26 1HG2 ILE 3 1HG2 ILE 3 -3.588 -1.685 0.689 27 2HG2 ILE 3 2HG2 ILE 3 -3.715 -2.689 2.164 28 3HG2 ILE 3 3HG2 ILE 3 -2.266 -1.725 1.873 29 1HD1 ILE 3 1HD1 ILE 3 -4.417 -6.379 0.465 30 2HD1 ILE 3 2HD1 ILE 3 -2.665 -6.269 0.823 31 3HD1 ILE 3 3HD1 ILE 3 -3.875 -5.564 1.930 32 H ALA 4 H ALA 4 -0.703 -0.751 -1.411 33 HA ALA 4 HA ALA 4 1.820 -0.701 0.132 34 1HB ALA 4 1HB ALA 4 0.817 0.858 -2.144 35 2HB ALA 4 2HB ALA 4 1.730 1.818 -0.956 36 3HB ALA 4 3HB ALA 4 2.470 0.401 -1.677 37 H ILE 5 H ILE 5 2.362 0.543 1.863 38 HA ILE 5 HA ILE 5 0.467 2.630 2.794 39 HB ILE 5 HB ILE 5 1.812 0.528 4.514 40 1HG1 ILE 5 1HG1 ILE 5 -1.107 1.234 4.060 41 2HG1 ILE 5 2HG1 ILE 5 -0.304 -0.164 3.346 42 1HG2 ILE 5 1HG2 ILE 5 0.148 2.959 5.331 43 2HG2 ILE 5 2HG2 ILE 5 0.788 1.731 6.441 44 3HG2 ILE 5 3HG2 ILE 5 1.897 2.790 5.596 45 1HD1 ILE 5 1HD1 ILE 5 0.083 -1.112 5.581 46 2HD1 ILE 5 2HD1 ILE 5 -0.845 0.229 6.304 47 3HD1 ILE 5 3HD1 ILE 5 -1.633 -0.892 5.188 48 HA PRO 6 HA PRO 6 4.588 4.641 2.594 49 1HB PRO 6 1HB PRO 6 3.687 7.232 2.727 50 2HB PRO 6 2HB PRO 6 3.637 6.253 1.240 51 1HG PRO 6 1HG PRO 6 1.404 6.930 3.130 52 2HG PRO 6 2HG PRO 6 1.375 6.808 1.354 53 1HD PRO 6 1HD PRO 6 0.563 4.794 3.118 54 2HD PRO 6 2HD PRO 6 1.067 4.508 1.422 55 H VAL 7 H VAL 7 5.683 4.298 4.524 56 HA VAL 7 HA VAL 7 4.469 5.287 7.049 57 HB VAL 7 HB VAL 7 6.114 3.760 8.127 58 1HG1 VAL 7 1HG1 VAL 7 3.745 3.141 7.720 59 2HG1 VAL 7 2HG1 VAL 7 4.237 2.369 6.184 60 3HG1 VAL 7 3HG1 VAL 7 4.858 1.788 7.742 61 1HG2 VAL 7 1HG2 VAL 7 7.154 1.970 6.786 62 2HG2 VAL 7 2HG2 VAL 7 6.605 2.728 5.294 63 3HG2 VAL 7 3HG2 VAL 7 7.781 3.559 6.351 64 H SER 8 H SER 8 5.839 6.245 8.692 65 HA SER 8 HA SER 8 7.753 8.190 7.604 66 1HB SER 8 1HB SER 8 6.829 7.493 10.419 67 2HB SER 8 2HB SER 8 8.078 8.696 10.083 68 HG SER 8 HG SER 8 5.475 9.013 10.066 69 H GLU 9 H GLU 9 7.957 4.919 8.994 70 HA GLU 9 HA GLU 9 10.861 4.928 8.716 71 1HB GLU 9 1HB GLU 9 9.430 4.279 11.344 72 2HB GLU 9 2HB GLU 9 11.107 3.850 10.963 73 1HG GLU 9 1HG GLU 9 11.654 6.268 10.721 74 2HG GLU 9 2HG GLU 9 9.981 6.652 11.123 75 H ASN 10 H ASN 10 11.591 2.746 8.682 76 HA ASN 10 HA ASN 10 9.546 0.646 8.182 77 1HB ASN 10 1HB ASN 10 11.244 0.576 6.478 78 2HB ASN 10 2HB ASN 10 12.548 0.776 7.661 79 1HD2 ASN 10 1HD2 ASN 10 13.327 -1.237 6.403 80 2HD2 ASN 10 2HD2 ASN 10 12.769 -2.775 7.026 81 H ARG 11 H ARG 11 8.873 -0.109 10.048 82 HA ARG 11 HA ARG 11 10.935 -1.027 11.945 83 1HB ARG 11 1HB ARG 11 8.212 0.090 12.760 84 2HB ARG 11 2HB ARG 11 9.409 -0.617 13.832 85 1HG ARG 11 1HG ARG 11 10.999 1.260 13.012 86 2HG ARG 11 2HG ARG 11 9.565 2.010 12.307 87 1HD ARG 11 1HD ARG 11 8.448 2.069 14.482 88 2HD ARG 11 2HD ARG 11 9.802 1.203 15.235 89 HE ARG 11 HE ARG 11 10.694 3.628 13.935 90 1HH1 ARG 11 2HH2 ARG 11 9.148 2.514 16.916 91 2HH1 ARG 11 1HH2 ARG 11 9.740 3.827 17.884 92 1HH2 ARG 11 2HH1 ARG 11 11.350 5.337 15.046 93 2HH2 ARG 11 1HH1 ARG 11 11.128 5.543 16.761 94 H GLY 12 H GLY 12 9.808 -2.338 9.673 95 1HA GLY 12 1HA GLY 12 8.941 -4.377 9.021 96 2HA GLY 12 2HA GLY 12 8.805 -4.854 10.730 97 H LYS 13 H LYS 13 6.850 -4.674 11.727 98 HA LYS 13 HA LYS 13 4.502 -4.030 10.020 99 1HB LYS 13 1HB LYS 13 4.661 -5.342 12.747 100 2HB LYS 13 2HB LYS 13 3.314 -5.383 11.627 101 1HG LYS 13 1HG LYS 13 4.378 -6.889 10.144 102 2HG LYS 13 2HG LYS 13 5.969 -6.669 10.878 103 1HD LYS 13 1HD LYS 13 3.650 -7.813 12.448 104 2HD LYS 13 2HD LYS 13 4.789 -8.816 11.518 105 1HE LYS 13 1HE LYS 13 6.690 -8.017 12.785 106 2HE LYS 13 2HE LYS 13 5.727 -6.769 13.572 107 1HZ LYS 13 1HZ LYS 13 5.247 -9.639 13.988 108 2HZ LYS 13 2HZ LYS 13 6.066 -8.637 15.019 109 3HZ LYS 13 3HZ LYS 13 4.476 -8.387 14.731 110 H ASP 14 H ASP 14 6.133 -3.158 13.022 111 HA ASP 14 HA ASP 14 4.107 -1.514 14.190 112 1HB ASP 14 1HB ASP 14 7.135 -1.503 14.542 113 2HB ASP 14 2HB ASP 14 6.009 -0.613 15.554 114 H SER 15 H SER 15 6.030 -1.008 11.455 115 HA SER 15 HA SER 15 6.893 1.489 11.096 116 1HB SER 15 1HB SER 15 5.234 -0.075 9.153 117 2HB SER 15 2HB SER 15 6.499 1.138 8.810 118 HG SER 15 HG SER 15 6.839 -1.425 9.099 119 HA PRO 16 HA PRO 16 2.929 3.686 11.957 120 1HB PRO 16 1HB PRO 16 3.905 6.176 12.489 121 2HB PRO 16 2HB PRO 16 4.017 4.818 13.649 122 1HG PRO 16 1HG PRO 16 6.151 5.790 11.725 123 2HG PRO 16 2HG PRO 16 6.317 5.432 13.472 124 1HD PRO 16 1HD PRO 16 7.006 3.621 11.547 125 2HD PRO 16 2HD PRO 16 6.267 3.108 13.091 126 H ILE 17 H ILE 17 1.494 4.696 10.429 127 HA ILE 17 HA ILE 17 2.424 5.054 7.800 128 HB ILE 17 HB ILE 17 0.080 4.466 8.559 129 1HG1 ILE 17 1HG1 ILE 17 0.191 6.747 6.555 130 2HG1 ILE 17 2HG1 ILE 17 0.756 5.110 6.226 131 1HG2 ILE 17 1HG2 ILE 17 -1.491 6.109 9.142 132 2HG2 ILE 17 2HG2 ILE 17 -0.117 6.354 10.234 133 3HG2 ILE 17 3HG2 ILE 17 -0.367 7.449 8.852 134 1HD1 ILE 17 1HD1 ILE 17 -1.488 5.347 5.365 135 2HD1 ILE 17 2HD1 ILE 17 -1.510 4.214 6.728 136 3HD1 ILE 17 3HD1 ILE 17 -2.101 5.884 6.935 137 H SER 18 H SER 18 2.922 6.861 6.632 138 HA SER 18 HA SER 18 3.750 9.327 8.010 139 1HB SER 18 1HB SER 18 5.088 8.150 6.121 140 2HB SER 18 2HB SER 18 3.786 8.664 5.052 141 HG SER 18 HG SER 18 5.594 10.155 5.117 142 H GLU 19 H GLU 19 3.114 10.903 5.738 143 HA GLU 19 HA GLU 19 0.142 11.210 6.115 144 1HB GLU 19 1HB GLU 19 2.301 13.334 6.229 145 2HB GLU 19 2HB GLU 19 0.570 13.681 6.067 146 1HG GLU 19 1HG GLU 19 0.079 12.542 8.180 147 2HG GLU 19 2HG GLU 19 1.779 12.060 8.361 148 H HIS 20 H HIS 20 2.930 12.147 4.229 149 HA HIS 20 HA HIS 20 1.417 12.925 1.855 150 1HB HIS 20 1HB HIS 20 4.382 12.643 2.516 151 2HB HIS 20 2HB HIS 20 3.770 13.394 1.024 152 HD1 HIS 20 1HD HIS 20 2.160 15.700 1.717 153 HD2 HIS 20 2HD HIS 20 4.856 14.078 4.562 154 HE1 HIS 20 1HE HIS 20 2.527 17.495 3.547 155 HE2 HIS 20 2HE HIS 20 4.036 16.397 5.337 156 H PHE 21 H PHE 21 2.575 11.917 -0.267 157 HA PHE 21 HA PHE 21 3.205 9.044 0.079 158 1HB PHE 21 1HB PHE 21 1.005 8.978 -0.845 159 2HB PHE 21 2HB PHE 21 1.479 10.137 -2.121 160 HD1 PHE 21 1HD PHE 21 2.882 9.462 -4.026 161 HD2 PHE 21 2HD PHE 21 1.688 6.610 -1.001 162 HE1 PHE 21 1HE PHE 21 3.579 7.579 -5.504 163 HE2 PHE 21 2HE PHE 21 2.495 4.767 -2.450 164 HZ PHE 21 HZ PHE 21 3.490 5.267 -4.656 165 H GLY 22 H GLY 22 3.317 11.858 -2.137 166 1HA GLY 22 1HA GLY 22 5.165 11.110 -3.900 167 2HA GLY 22 2HA GLY 22 5.104 12.755 -3.270 168 H ARG 23 H ARG 23 6.169 12.188 -0.608 169 HA ARG 23 HA ARG 23 8.962 11.473 -1.299 170 1HB ARG 23 1HB ARG 23 9.773 13.133 0.256 171 2HB ARG 23 2HB ARG 23 8.912 13.867 -1.071 172 1HG ARG 23 1HG ARG 23 7.376 13.365 1.508 173 2HG ARG 23 2HG ARG 23 8.605 14.618 1.482 174 1HD ARG 23 1HD ARG 23 7.442 15.498 -0.660 175 2HD ARG 23 2HD ARG 23 6.098 14.448 -0.225 176 HE ARG 23 HE ARG 23 5.488 15.986 1.385 177 1HH1 ARG 23 2HH2 ARG 23 8.968 16.527 0.747 178 2HH1 ARG 23 1HH2 ARG 23 8.940 18.132 1.340 179 1HH2 ARG 23 2HH1 ARG 23 5.505 18.225 2.209 180 2HH2 ARG 23 1HH1 ARG 23 7.023 19.019 2.277 181 H ALA 24 H ALA 24 7.304 9.506 -0.575 182 HA ALA 24 HA ALA 24 7.135 9.084 2.306 183 1HB ALA 24 1HB ALA 24 5.457 8.056 0.899 184 2HB ALA 24 2HB ALA 24 6.687 7.441 -0.232 185 3HB ALA 24 3HB ALA 24 6.533 6.719 1.362 186 HA PRO 25 HA PRO 25 11.529 7.786 1.934 187 1HB PRO 25 1HB PRO 25 11.982 6.994 4.562 188 2HB PRO 25 2HB PRO 25 12.070 8.665 3.963 189 1HG PRO 25 1HG PRO 25 9.769 7.301 5.373 190 2HG PRO 25 2HG PRO 25 10.404 8.955 5.624 191 1HD PRO 25 1HD PRO 25 8.199 8.507 4.151 192 2HD PRO 25 2HD PRO 25 9.387 9.764 3.698 193 H TYR 26 H TYR 26 8.853 5.732 2.910 194 HA TYR 26 HA TYR 26 10.198 3.432 1.770 195 1HB TYR 26 1HB TYR 26 8.856 3.207 4.479 196 2HB TYR 26 2HB TYR 26 9.740 1.976 3.597 197 HD1 TYR 26 1HD TYR 26 10.196 5.120 5.572 198 HD2 TYR 26 2HD TYR 26 11.965 1.510 4.029 199 HE1 TYR 26 1HE TYR 26 12.229 5.543 6.925 200 HE2 TYR 26 2HE TYR 26 13.989 1.914 5.348 201 HH TYR 26 HH TYR 26 14.890 3.170 7.146 202 H PHE 27 H PHE 27 8.609 1.758 1.305 203 HA PHE 27 HA PHE 27 5.737 2.484 1.498 204 1HB PHE 27 1HB PHE 27 7.111 1.290 -0.957 205 2HB PHE 27 2HB PHE 27 5.393 1.270 -0.724 206 HD1 PHE 27 1HD PHE 27 7.603 2.817 -2.686 207 HD2 PHE 27 2HD PHE 27 4.677 3.951 0.251 208 HE1 PHE 27 1HE PHE 27 7.406 4.994 -3.774 209 HE2 PHE 27 2HE PHE 27 4.522 6.188 -0.797 210 HZ PHE 27 HZ PHE 27 5.847 6.750 -2.781 211 H ALA 28 H ALA 28 4.678 0.893 2.547 212 HA ALA 28 HA ALA 28 5.924 -1.806 2.695 213 1HB ALA 28 1HB ALA 28 3.833 -0.398 4.416 214 2HB ALA 28 2HB ALA 28 4.295 -2.097 4.587 215 3HB ALA 28 3HB ALA 28 5.487 -0.814 4.891 216 H PHE 29 H PHE 29 5.351 -2.548 0.688 217 HA PHE 29 HA PHE 29 2.486 -2.669 -0.056 218 1HB PHE 29 1HB PHE 29 5.056 -3.310 -1.401 219 2HB PHE 29 2HB PHE 29 3.723 -4.375 -1.756 220 HD1 PHE 29 1HD PHE 29 1.285 -2.931 -2.176 221 HD2 PHE 29 2HD PHE 29 5.311 -1.622 -3.147 222 HE1 PHE 29 1HE PHE 29 0.365 -1.233 -3.538 223 HE2 PHE 29 2HE PHE 29 4.297 -0.151 -4.857 224 HZ PHE 29 HZ PHE 29 1.783 0.193 -4.925 225 H VAL 30 H VAL 30 1.590 -3.637 1.669 226 HA VAL 30 HA VAL 30 2.538 -6.239 2.660 227 HB VAL 30 HB VAL 30 -0.187 -4.990 3.179 228 1HG1 VAL 30 1HG1 VAL 30 0.162 -6.081 5.427 229 2HG1 VAL 30 2HG1 VAL 30 0.169 -7.229 4.099 230 3HG1 VAL 30 3HG1 VAL 30 1.708 -6.721 4.829 231 1HG2 VAL 30 1HG2 VAL 30 2.418 -4.198 4.551 232 2HG2 VAL 30 2HG2 VAL 30 1.299 -3.125 3.668 233 3HG2 VAL 30 3HG2 VAL 30 0.790 -3.849 5.182 234 H LYS 31 H LYS 31 0.995 -8.166 2.370 235 HA LYS 31 HA LYS 31 -0.490 -7.916 -0.230 236 1HB LYS 31 1HB LYS 31 1.024 -10.349 0.775 237 2HB LYS 31 2HB LYS 31 0.277 -10.092 -0.822 238 1HG LYS 31 1HG LYS 31 1.833 -7.943 -0.812 239 2HG LYS 31 2HG LYS 31 2.746 -8.815 0.395 240 1HD LYS 31 1HD LYS 31 3.110 -10.636 -1.260 241 2HD LYS 31 2HD LYS 31 2.209 -9.673 -2.467 242 1HE LYS 31 1HE LYS 31 3.805 -7.751 -2.067 243 2HE LYS 31 2HE LYS 31 4.723 -8.786 -0.978 244 1HZ LYS 31 1HZ LYS 31 5.777 -8.788 -3.044 245 2HZ LYS 31 2HZ LYS 31 5.080 -10.272 -2.918 246 3HZ LYS 31 3HZ LYS 31 4.438 -9.056 -3.895 247 H VAL 32 H VAL 32 -1.956 -10.301 -0.199 248 HA VAL 32 HA VAL 32 -2.914 -10.637 2.494 249 HB VAL 32 HB VAL 32 -4.397 -8.859 1.859 250 1HG1 VAL 32 1HG1 VAL 32 -4.300 -8.882 -0.506 251 2HG1 VAL 32 2HG1 VAL 32 -5.096 -10.466 -0.614 252 3HG1 VAL 32 3HG1 VAL 32 -5.987 -9.028 -0.033 253 1HG2 VAL 32 1HG2 VAL 32 -5.482 -10.533 3.227 254 2HG2 VAL 32 2HG2 VAL 32 -6.635 -9.891 2.070 255 3HG2 VAL 32 3HG2 VAL 32 -5.923 -11.490 1.797 256 H LYS 33 H LYS 33 -3.504 -12.632 2.914 257 HA LYS 33 HA LYS 33 -3.768 -14.632 0.718 258 1HB LYS 33 1HB LYS 33 -1.850 -15.176 2.271 259 2HB LYS 33 2HB LYS 33 -2.915 -15.007 3.632 260 1HG LYS 33 1HG LYS 33 -2.702 -17.294 3.326 261 2HG LYS 33 2HG LYS 33 -4.300 -16.955 2.671 262 1HD LYS 33 1HD LYS 33 -1.797 -17.231 0.939 263 2HD LYS 33 2HD LYS 33 -2.819 -18.573 1.449 264 1HE LYS 33 1HE LYS 33 -4.797 -17.315 0.397 265 2HE LYS 33 2HE LYS 33 -3.582 -16.293 -0.405 266 1HZ LYS 33 1HZ LYS 33 -2.650 -18.358 -1.367 267 2HZ LYS 33 2HZ LYS 33 -3.832 -19.224 -0.613 268 3HZ LYS 33 3HZ LYS 33 -4.237 -18.189 -1.782 269 H ASN 34 H ASN 34 -5.961 -14.105 0.423 270 HA ASN 34 HA ASN 34 -8.123 -14.065 0.678 271 1HB ASN 34 1HB ASN 34 -7.695 -16.476 1.111 272 2HB ASN 34 2HB ASN 34 -7.770 -16.143 2.837 273 1HD2 ASN 34 1HD2 ASN 34 -9.707 -16.324 -0.160 274 2HD2 ASN 34 2HD2 ASN 34 -11.247 -16.241 0.658 275 H ASN 35 H ASN 35 -7.251 -14.363 4.176 276 HA ASN 35 HA ASN 35 -8.446 -11.691 4.641 277 1HB ASN 35 1HB ASN 35 -9.826 -14.026 5.278 278 2HB ASN 35 2HB ASN 35 -8.992 -13.651 6.789 279 1HD2 ASN 35 1HD2 ASN 35 -11.933 -13.442 5.804 280 2HD2 ASN 35 2HD2 ASN 35 -12.373 -11.794 6.243 281 H ALA 36 H ALA 36 -5.660 -13.161 4.651 282 HA ALA 36 HA ALA 36 -4.759 -12.161 7.302 283 1HB ALA 36 1HB ALA 36 -3.126 -14.002 7.278 284 2HB ALA 36 2HB ALA 36 -4.778 -14.621 7.238 285 3HB ALA 36 3HB ALA 36 -3.793 -14.613 5.749 286 H ILE 37 H ILE 37 -2.205 -11.860 7.152 287 HA ILE 37 HA ILE 37 -1.856 -9.745 5.345 288 HB ILE 37 HB ILE 37 -0.143 -11.222 7.345 289 1HG1 ILE 37 1HG1 ILE 37 -0.145 -9.082 8.527 290 2HG1 ILE 37 2HG1 ILE 37 -0.973 -8.294 7.187 291 1HG2 ILE 37 1HG2 ILE 37 1.658 -9.520 7.130 292 2HG2 ILE 37 2HG2 ILE 37 1.553 -10.572 5.727 293 3HG2 ILE 37 3HG2 ILE 37 0.899 -8.928 5.645 294 1HD1 ILE 37 1HD1 ILE 37 -3.029 -9.522 7.704 295 2HD1 ILE 37 2HD1 ILE 37 -2.165 -10.481 8.942 296 3HD1 ILE 37 3HD1 ILE 37 -2.406 -8.735 9.153 297 H ALA 38 H ALA 38 -1.134 -13.077 4.776 298 HA ALA 38 HA ALA 38 0.135 -14.231 3.317 299 1HB ALA 38 1HB ALA 38 -0.393 -11.817 1.586 300 2HB ALA 38 2HB ALA 38 0.709 -13.098 1.049 301 3HB ALA 38 3HB ALA 38 -0.970 -13.467 1.389 302 H ASP 39 H ASP 39 1.488 -10.852 3.107 303 HA ASP 39 HA ASP 39 4.128 -11.728 3.910 304 1HB ASP 39 1HB ASP 39 3.714 -12.510 1.445 305 2HB ASP 39 2HB ASP 39 3.731 -10.820 1.029 306 H ILE 40 H ILE 40 5.669 -9.844 3.597 307 HA ILE 40 HA ILE 40 4.418 -7.157 3.448 308 HB ILE 40 HB ILE 40 6.453 -8.271 5.388 309 1HG1 ILE 40 1HG1 ILE 40 3.781 -8.179 5.814 310 2HG1 ILE 40 2HG1 ILE 40 4.998 -8.135 7.065 311 1HG2 ILE 40 1HG2 ILE 40 6.796 -5.943 6.254 312 2HG2 ILE 40 2HG2 ILE 40 7.453 -6.244 4.666 313 3HG2 ILE 40 3HG2 ILE 40 5.926 -5.346 4.827 314 1HD1 ILE 40 1HD1 ILE 40 4.781 -5.736 7.334 315 2HD1 ILE 40 2HD1 ILE 40 3.709 -5.634 5.912 316 3HD1 ILE 40 3HD1 ILE 40 3.174 -6.469 7.382 317 H SER 41 H SER 41 5.508 -5.907 1.927 318 HA SER 41 HA SER 41 8.391 -6.430 1.474 319 1HB SER 41 1HB SER 41 6.168 -5.715 -0.431 320 2HB SER 41 2HB SER 41 7.762 -5.000 -0.640 321 HG SER 41 HG SER 41 7.192 -7.787 -0.384 322 H VAL 42 H VAL 42 9.130 -5.139 3.124 323 HA VAL 42 HA VAL 42 8.020 -2.403 3.313 324 HB VAL 42 HB VAL 42 8.078 -3.744 5.341 325 1HG1 VAL 42 1HG1 VAL 42 10.195 -5.002 5.082 326 2HG1 VAL 42 2HG1 VAL 42 11.092 -3.509 5.395 327 3HG1 VAL 42 3HG1 VAL 42 10.036 -4.175 6.635 328 1HG2 VAL 42 1HG2 VAL 42 8.981 -1.880 6.721 329 2HG2 VAL 42 2HG2 VAL 42 9.634 -1.154 5.210 330 3HG2 VAL 42 3HG2 VAL 42 7.894 -1.409 5.428 331 H GLU 43 H GLU 43 8.752 -1.799 1.325 332 HA GLU 43 HA GLU 43 11.536 -2.053 0.494 333 1HB GLU 43 1HB GLU 43 9.097 -0.597 -0.609 334 2HB GLU 43 2HB GLU 43 10.597 -0.875 -1.506 335 1HG GLU 43 1HG GLU 43 10.143 -3.150 -1.845 336 2HG GLU 43 2HG GLU 43 9.062 -3.272 -0.465 337 H GLU 44 H GLU 44 13.132 -0.407 1.101 338 HA GLU 44 HA GLU 44 12.378 2.201 2.023 339 1HB GLU 44 1HB GLU 44 14.862 1.336 0.469 340 2HB GLU 44 2HB GLU 44 14.635 2.797 1.434 341 1HG GLU 44 1HG GLU 44 15.611 1.623 3.069 342 2HG GLU 44 2HG GLU 44 14.010 0.964 3.320 343 H ASN 45 H ASN 45 12.489 4.258 0.604 344 HA ASN 45 HA ASN 45 10.991 3.887 -1.688 345 1HB ASN 45 1HB ASN 45 11.242 6.282 -1.855 346 2HB ASN 45 2HB ASN 45 11.125 5.898 -0.149 347 1HD2 ASN 45 1HD2 ASN 45 13.207 5.939 1.168 348 2HD2 ASN 45 2HD2 ASN 45 14.632 6.684 0.499 349 HA PRO 46 HA PRO 46 14.397 3.922 -4.616 350 1HB PRO 46 1HB PRO 46 13.118 4.516 -6.952 351 2HB PRO 46 2HB PRO 46 12.894 2.961 -6.103 352 1HG PRO 46 1HG PRO 46 11.083 5.414 -5.875 353 2HG PRO 46 2HG PRO 46 10.636 3.749 -6.265 354 1HD PRO 46 1HD PRO 46 10.502 4.772 -3.743 355 2HD PRO 46 2HD PRO 46 10.972 3.068 -4.022 356 H LEU 47 H LEU 47 12.058 6.699 -4.794 357 HA LEU 47 HA LEU 47 14.378 8.486 -5.440 358 1HB LEU 47 1HB LEU 47 11.857 8.567 -6.976 359 2HB LEU 47 2HB LEU 47 13.316 9.460 -7.254 360 HG LEU 47 HG LEU 47 14.039 6.678 -7.382 361 1HD1 LEU 47 1HD1 LEU 47 12.557 5.832 -9.048 362 2HD1 LEU 47 2HD1 LEU 47 11.628 6.369 -7.638 363 3HD1 LEU 47 3HD1 LEU 47 11.661 7.374 -9.084 364 1HD2 LEU 47 1HD2 LEU 47 15.103 8.525 -8.588 365 2HD2 LEU 47 2HD2 LEU 47 14.593 7.196 -9.652 366 3HD2 LEU 47 3HD2 LEU 47 13.621 8.704 -9.586 367 H ALA 48 H ALA 48 12.976 8.496 -2.831 368 HA ALA 48 HA ALA 48 10.425 9.657 -2.942 369 1HB ALA 48 1HB ALA 48 11.126 8.290 -1.030 370 2HB ALA 48 2HB ALA 48 12.348 9.457 -0.581 371 3HB ALA 48 3HB ALA 48 10.644 9.890 -0.467 372 H GLN 49 H GLN 49 13.597 11.179 -2.366 373 HA GLN 49 HA GLN 49 12.246 13.780 -2.848 374 1HB GLN 49 1HB GLN 49 13.411 14.892 -1.124 375 2HB GLN 49 2HB GLN 49 12.682 13.438 -0.466 376 1HG GLN 49 1HG GLN 49 15.046 12.365 -0.825 377 2HG GLN 49 2HG GLN 49 15.613 14.034 -0.951 378 1HE2 GLN 49 1HE2 GLN 49 16.166 11.983 1.142 379 2HE2 GLN 49 2HE2 GLN 49 15.459 12.539 2.655 380 H ASP 50 H ASP 50 13.687 11.958 -4.590 381 HA ASP 50 HA ASP 50 16.367 12.459 -5.101 382 1HB ASP 50 1HB ASP 50 15.262 10.568 -6.019 383 2HB ASP 50 2HB ASP 50 14.071 11.566 -6.849 384 H HIS 51 H HIS 51 13.837 13.729 -7.277 385 HA HIS 51 HA HIS 51 15.034 16.436 -7.234 386 1HB HIS 51 1HB HIS 51 15.550 14.579 -9.334 387 2HB HIS 51 2HB HIS 51 14.421 15.693 -10.014 388 HD1 HIS 51 1HD HIS 51 17.928 15.237 -9.831 389 HD2 HIS 51 2HD HIS 51 15.313 18.503 -9.133 390 HE1 HIS 51 1HE HIS 51 19.372 17.392 -9.862 391 HE2 HIS 51 2HE HIS 51 17.771 19.360 -9.504 392 H VAL 52 H VAL 52 12.630 15.170 -6.202 393 HA VAL 52 HA VAL 52 10.483 14.713 -6.449 394 HB VAL 52 HB VAL 52 9.005 16.667 -6.600 395 1HG1 VAL 52 1HG1 VAL 52 9.839 17.706 -4.544 396 2HG1 VAL 52 2HG1 VAL 52 10.134 15.959 -4.491 397 3HG1 VAL 52 3HG1 VAL 52 11.464 17.078 -4.829 398 1HG2 VAL 52 1HG2 VAL 52 11.511 18.379 -6.883 399 2HG2 VAL 52 2HG2 VAL 52 10.390 18.056 -8.215 400 3HG2 VAL 52 3HG2 VAL 52 9.818 18.916 -6.771 401 H HIS 53 H HIS 53 11.488 13.513 -8.376 402 HA HIS 53 HA HIS 53 10.483 14.254 -11.041 403 1HB HIS 53 1HB HIS 53 12.014 11.853 -9.931 404 2HB HIS 53 2HB HIS 53 11.306 11.836 -11.541 405 HD1 HIS 53 1HD HIS 53 14.669 12.017 -10.617 406 HD2 HIS 53 2HD HIS 53 12.029 14.754 -12.551 407 HE1 HIS 53 1HE HIS 53 16.087 13.510 -12.069 408 HE2 HIS 53 2HE HIS 53 14.481 15.213 -13.222 409 H GLY 54 H GLY 54 9.108 12.671 -12.185 410 1HA GLY 54 1HA GLY 54 6.756 11.833 -10.599 411 2HA GLY 54 2HA GLY 54 6.892 11.950 -12.356 412 H ALA 55 H ALA 55 9.458 10.299 -10.493 413 HA ALA 55 HA ALA 55 8.804 7.864 -12.047 414 1HB ALA 55 1HB ALA 55 11.167 7.319 -11.611 415 2HB ALA 55 2HB ALA 55 10.941 8.833 -12.516 416 3HB ALA 55 3HB ALA 55 11.355 8.885 -10.783 417 H VAL 56 H VAL 56 9.120 8.985 -8.691 418 HA VAL 56 HA VAL 56 9.320 6.634 -7.314 419 HB VAL 56 HB VAL 56 7.794 9.178 -6.887 420 1HG1 VAL 56 1HG1 VAL 56 7.192 6.833 -5.083 421 2HG1 VAL 56 2HG1 VAL 56 6.855 8.520 -4.680 422 3HG1 VAL 56 3HG1 VAL 56 6.022 7.751 -6.041 423 1HG2 VAL 56 1HG2 VAL 56 9.043 9.197 -4.732 424 2HG2 VAL 56 2HG2 VAL 56 9.816 7.669 -5.218 425 3HG2 VAL 56 3HG2 VAL 56 10.021 9.163 -6.181 426 HA PRO 57 HA PRO 57 4.673 5.449 -8.116 427 1HB PRO 57 1HB PRO 57 3.342 6.579 -10.217 428 2HB PRO 57 2HB PRO 57 3.302 7.262 -8.554 429 1HG PRO 57 1HG PRO 57 4.852 8.112 -10.987 430 2HG PRO 57 2HG PRO 57 4.121 9.150 -9.733 431 1HD PRO 57 1HD PRO 57 6.767 8.393 -9.904 432 2HD PRO 57 2HD PRO 57 6.058 8.943 -8.394 433 H ASN 58 H ASN 58 7.001 6.054 -10.674 434 HA ASN 58 HA ASN 58 5.886 4.210 -12.618 435 1HB ASN 58 1HB ASN 58 7.541 6.154 -13.021 436 2HB ASN 58 2HB ASN 58 8.788 5.041 -12.432 437 1HD2 ASN 58 1HD2 ASN 58 8.139 6.248 -15.221 438 2HD2 ASN 58 2HD2 ASN 58 8.243 4.802 -16.220 439 H PHE 59 H PHE 59 8.325 4.136 -10.018 440 HA PHE 59 HA PHE 59 8.915 1.346 -10.085 441 1HB PHE 59 1HB PHE 59 10.380 2.682 -8.829 442 2HB PHE 59 2HB PHE 59 9.081 3.535 -8.025 443 HD1 PHE 59 1HD PHE 59 10.715 0.130 -8.209 444 HD2 PHE 59 2HD PHE 59 8.278 2.872 -5.908 445 HE1 PHE 59 1HE PHE 59 10.885 -1.348 -6.228 446 HE2 PHE 59 2HE PHE 59 8.378 1.307 -3.989 447 HZ PHE 59 HZ PHE 59 9.686 -0.730 -4.098 448 H VAL 60 H VAL 60 6.560 2.977 -7.774 449 HA VAL 60 HA VAL 60 5.775 0.395 -6.870 450 HB VAL 60 HB VAL 60 3.680 1.537 -6.055 451 1HG1 VAL 60 1HG1 VAL 60 5.866 1.249 -4.657 452 2HG1 VAL 60 2HG1 VAL 60 6.239 2.915 -5.092 453 3HG1 VAL 60 3HG1 VAL 60 4.790 2.548 -4.149 454 1HG2 VAL 60 1HG2 VAL 60 3.322 3.768 -6.122 455 2HG2 VAL 60 2HG2 VAL 60 5.003 4.147 -6.592 456 3HG2 VAL 60 3HG2 VAL 60 3.842 3.421 -7.759 457 H LYS 61 H LYS 61 4.760 2.027 -9.724 458 HA LYS 61 HA LYS 61 2.418 0.408 -10.242 459 1HB LYS 61 1HB LYS 61 4.203 2.086 -12.016 460 2HB LYS 61 2HB LYS 61 3.063 0.967 -12.738 461 1HG LYS 61 1HG LYS 61 1.165 2.027 -11.603 462 2HG LYS 61 2HG LYS 61 2.242 3.203 -10.844 463 1HD LYS 61 1HD LYS 61 1.774 2.777 -13.831 464 2HD LYS 61 2HD LYS 61 1.016 4.015 -12.826 465 1HE LYS 61 1HE LYS 61 3.238 5.031 -12.368 466 2HE LYS 61 2HE LYS 61 4.003 3.763 -13.343 467 1HZ LYS 61 1HZ LYS 61 2.073 5.735 -14.425 468 2HZ LYS 61 2HZ LYS 61 3.717 5.766 -14.664 469 3HZ LYS 61 3HZ LYS 61 2.841 4.530 -15.251 470 H GLU 62 H GLU 62 5.772 -0.539 -10.177 471 HA GLU 62 HA GLU 62 5.127 -2.860 -11.866 472 1HB GLU 62 1HB GLU 62 7.301 -3.263 -12.073 473 2HB GLU 62 2HB GLU 62 7.297 -1.524 -11.939 474 1HG GLU 62 1HG GLU 62 8.846 -1.610 -10.357 475 2HG GLU 62 2HG GLU 62 7.713 -2.388 -9.286 476 H LYS 63 H LYS 63 4.749 -2.002 -8.607 477 HA LYS 63 HA LYS 63 5.758 -4.582 -7.569 478 1HB LYS 63 1HB LYS 63 4.511 -2.231 -6.138 479 2HB LYS 63 2HB LYS 63 5.346 -3.571 -5.363 480 1HG LYS 63 1HG LYS 63 6.587 -1.524 -7.239 481 2HG LYS 63 2HG LYS 63 6.798 -1.577 -5.496 482 1HD LYS 63 1HD LYS 63 7.687 -3.818 -7.368 483 2HD LYS 63 2HD LYS 63 8.690 -2.455 -6.951 484 1HE LYS 63 1HE LYS 63 8.835 -3.069 -4.670 485 2HE LYS 63 2HE LYS 63 7.399 -4.061 -4.748 486 1HZ LYS 63 1HZ LYS 63 9.389 -5.464 -4.712 487 2HZ LYS 63 2HZ LYS 63 8.616 -5.642 -6.126 488 3HZ LYS 63 3HZ LYS 63 9.974 -4.724 -6.076 489 H GLY 64 H GLY 64 3.499 -4.759 -9.287 490 1HA GLY 64 1HA GLY 64 1.497 -5.840 -9.517 491 2HA GLY 64 2HA GLY 64 2.004 -6.802 -8.132 492 H ALA 65 H ALA 65 1.358 -3.229 -7.830 493 HA ALA 65 HA ALA 65 -0.217 -3.755 -5.562 494 1HB ALA 65 1HB ALA 65 -0.549 -1.434 -5.457 495 2HB ALA 65 2HB ALA 65 1.090 -1.761 -6.059 496 3HB ALA 65 3HB ALA 65 -0.182 -1.230 -7.202 497 H GLU 66 H GLU 66 -2.337 -3.390 -5.090 498 HA GLU 66 HA GLU 66 -4.388 -3.221 -7.224 499 1HB GLU 66 1HB GLU 66 -3.727 -5.608 -5.587 500 2HB GLU 66 2HB GLU 66 -5.440 -5.154 -5.584 501 1HG GLU 66 1HG GLU 66 -5.642 -5.294 -7.914 502 2HG GLU 66 2HG GLU 66 -3.898 -5.331 -8.154 503 H LEU 67 H LEU 67 -3.347 -2.822 -3.893 504 HA LEU 67 HA LEU 67 -5.474 -0.787 -3.715 505 1HB LEU 67 1HB LEU 67 -6.141 -2.853 -2.353 506 2HB LEU 67 2HB LEU 67 -4.705 -2.567 -1.384 507 HG LEU 67 HG LEU 67 -5.653 -0.388 -0.621 508 1HD1 LEU 67 1HD1 LEU 67 -8.079 0.049 -1.070 509 2HD1 LEU 67 2HD1 LEU 67 -7.080 0.192 -2.513 510 3HD1 LEU 67 3HD1 LEU 67 -8.069 -1.267 -2.263 511 1HD2 LEU 67 1HD2 LEU 67 -7.464 -1.344 0.761 512 2HD2 LEU 67 2HD2 LEU 67 -7.424 -2.815 -0.238 513 3HD2 LEU 67 3HD2 LEU 67 -6.014 -2.346 0.745 514 H VAL 68 H VAL 68 -4.860 0.900 -2.087 515 HA VAL 68 HA VAL 68 -2.136 0.894 -1.035 516 HB VAL 68 HB VAL 68 -3.240 3.424 -2.253 517 1HG1 VAL 68 1HG1 VAL 68 -1.035 4.255 -2.190 518 2HG1 VAL 68 2HG1 VAL 68 -1.225 3.375 -0.657 519 3HG1 VAL 68 3HG1 VAL 68 -0.340 2.644 -1.999 520 1HG2 VAL 68 1HG2 VAL 68 -1.499 1.503 -3.837 521 2HG2 VAL 68 2HG2 VAL 68 -3.172 1.990 -4.208 522 3HG2 VAL 68 3HG2 VAL 68 -1.897 3.183 -4.269 523 H ILE 69 H ILE 69 -2.174 2.130 1.009 524 HA ILE 69 HA ILE 69 -4.768 3.278 1.807 525 HB ILE 69 HB ILE 69 -3.145 1.441 3.596 526 1HG1 ILE 69 1HG1 ILE 69 -5.771 0.830 2.203 527 2HG1 ILE 69 2HG1 ILE 69 -4.227 0.134 1.804 528 1HG2 ILE 69 1HG2 ILE 69 -4.223 3.070 4.912 529 2HG2 ILE 69 2HG2 ILE 69 -5.698 3.060 3.898 530 3HG2 ILE 69 3HG2 ILE 69 -5.322 1.714 4.961 531 1HD1 ILE 69 1HD1 ILE 69 -4.011 -0.912 4.021 532 2HD1 ILE 69 2HD1 ILE 69 -5.622 -0.329 4.470 533 3HD1 ILE 69 3HD1 ILE 69 -5.450 -1.463 3.137 534 H VAL 70 H VAL 70 -4.311 5.343 2.148 535 HA VAL 70 HA VAL 70 -1.630 6.181 3.120 536 HB VAL 70 HB VAL 70 -1.470 7.788 1.337 537 1HG1 VAL 70 1HG1 VAL 70 -2.370 5.244 -0.046 538 2HG1 VAL 70 2HG1 VAL 70 -1.105 6.368 -0.558 539 3HG1 VAL 70 3HG1 VAL 70 -0.854 5.346 0.859 540 1HG2 VAL 70 1HG2 VAL 70 -4.199 6.828 0.370 541 2HG2 VAL 70 2HG2 VAL 70 -3.815 8.440 1.004 542 3HG2 VAL 70 3HG2 VAL 70 -3.138 7.886 -0.534 543 H ARG 71 H ARG 71 -1.750 8.739 3.433 544 HA ARG 71 HA ARG 71 -4.263 9.299 4.909 545 1HB ARG 71 1HB ARG 71 -1.945 9.156 6.052 546 2HB ARG 71 2HB ARG 71 -1.695 10.763 5.388 547 1HG ARG 71 1HG ARG 71 -3.217 11.740 6.824 548 2HG ARG 71 2HG ARG 71 -4.254 10.308 6.866 549 1HD ARG 71 1HD ARG 71 -2.563 9.134 8.278 550 2HD ARG 71 2HD ARG 71 -1.606 10.583 8.386 551 HE ARG 71 HE ARG 71 -4.247 11.279 9.095 552 1HH1 ARG 71 2HH2 ARG 71 -1.515 9.449 10.497 553 2HH1 ARG 71 1HH2 ARG 71 -2.333 9.232 12.015 554 1HH2 ARG 71 2HH1 ARG 71 -5.276 10.878 11.114 555 2HH2 ARG 71 1HH1 ARG 71 -4.386 10.147 12.423 556 H GLY 72 H GLY 72 -2.044 11.894 3.794 557 1HA GLY 72 1HA GLY 72 -4.404 13.026 2.429 558 2HA GLY 72 2HA GLY 72 -2.976 13.887 2.966 559 H ILE 73 H ILE 73 -1.440 11.595 1.470 560 HA ILE 73 HA ILE 73 -0.271 11.543 -0.538 561 HB ILE 73 HB ILE 73 -1.941 9.841 -0.457 562 1HG1 ILE 73 1HG1 ILE 73 -2.073 10.469 -3.375 563 2HG1 ILE 73 2HG1 ILE 73 -0.488 10.498 -2.638 564 1HG2 ILE 73 1HG2 ILE 73 -4.100 10.978 -0.455 565 2HG2 ILE 73 2HG2 ILE 73 -3.860 11.568 -2.102 566 3HG2 ILE 73 3HG2 ILE 73 -4.021 9.842 -1.823 567 1HD1 ILE 73 1HD1 ILE 73 -2.439 8.202 -2.774 568 2HD1 ILE 73 2HD1 ILE 73 -0.806 8.335 -3.469 569 3HD1 ILE 73 3HD1 ILE 73 -0.990 8.179 -1.727 570 H GLY 74 H GLY 74 -2.173 12.125 -3.069 571 1HA GLY 74 1HA GLY 74 -2.952 14.634 -3.378 572 2HA GLY 74 2HA GLY 74 -1.238 14.734 -3.843 573 H ARG 75 H ARG 75 -3.609 15.097 -5.564 574 HA ARG 75 HA ARG 75 -4.505 13.120 -7.086 575 1HB ARG 75 1HB ARG 75 -4.652 15.757 -7.300 576 2HB ARG 75 2HB ARG 75 -3.499 15.544 -8.597 577 1HG ARG 75 1HG ARG 75 -6.240 14.265 -8.323 578 2HG ARG 75 2HG ARG 75 -5.837 15.615 -9.384 579 1HD ARG 75 1HD ARG 75 -4.868 12.741 -9.640 580 2HD ARG 75 2HD ARG 75 -6.101 13.524 -10.610 581 HE ARG 75 HE ARG 75 -3.654 15.037 -10.750 582 1HH1 ARG 75 2HH2 ARG 75 -5.468 12.334 -12.255 583 2HH1 ARG 75 1HH2 ARG 75 -4.482 12.312 -13.664 584 1HH2 ARG 75 2HH1 ARG 75 -2.343 14.995 -12.811 585 2HH2 ARG 75 1HH1 ARG 75 -2.902 13.922 -14.006 586 H ARG 76 H ARG 76 -1.372 14.641 -7.724 587 HA ARG 76 HA ARG 76 -0.475 13.186 -9.950 588 1HB ARG 76 1HB ARG 76 1.723 13.953 -9.282 589 2HB ARG 76 2HB ARG 76 0.522 15.217 -8.984 590 1HG ARG 76 1HG ARG 76 0.408 14.447 -6.564 591 2HG ARG 76 2HG ARG 76 1.658 13.232 -6.926 592 1HD ARG 76 1HD ARG 76 3.283 14.911 -6.957 593 2HD ARG 76 2HD ARG 76 2.268 15.981 -7.921 594 HE ARG 76 HE ARG 76 1.070 16.158 -5.471 595 1HH1 ARG 76 2HH2 ARG 76 4.448 16.708 -6.530 596 2HH1 ARG 76 1HH2 ARG 76 4.741 17.930 -5.361 597 1HH2 ARG 76 2HH1 ARG 76 1.550 17.726 -3.802 598 2HH2 ARG 76 1HH1 ARG 76 3.120 18.473 -3.828 599 H ALA 77 H ALA 77 -1.202 11.724 -7.017 600 HA ALA 77 HA ALA 77 0.665 9.528 -7.579 601 1HB ALA 77 1HB ALA 77 0.548 8.942 -5.183 602 2HB ALA 77 2HB ALA 77 1.316 10.523 -5.467 603 3HB ALA 77 3HB ALA 77 -0.362 10.447 -4.896 604 H ILE 78 H ILE 78 -2.731 10.370 -6.355 605 HA ILE 78 HA ILE 78 -3.996 8.047 -6.813 606 HB ILE 78 HB ILE 78 -4.614 10.951 -7.311 607 1HG1 ILE 78 1HG1 ILE 78 -6.436 10.446 -5.707 608 2HG1 ILE 78 2HG1 ILE 78 -5.918 8.761 -5.693 609 1HG2 ILE 78 1HG2 ILE 78 -5.778 9.916 -9.238 610 2HG2 ILE 78 2HG2 ILE 78 -6.540 8.755 -8.128 611 3HG2 ILE 78 3HG2 ILE 78 -6.906 10.486 -8.028 612 1HD1 ILE 78 1HD1 ILE 78 -5.278 10.017 -3.721 613 2HD1 ILE 78 2HD1 ILE 78 -3.882 9.340 -4.579 614 3HD1 ILE 78 3HD1 ILE 78 -4.276 11.089 -4.754 615 H ALA 79 H ALA 79 -2.770 10.359 -9.360 616 HA ALA 79 HA ALA 79 -3.816 9.045 -11.588 617 1HB ALA 79 1HB ALA 79 -2.798 11.349 -11.422 618 2HB ALA 79 2HB ALA 79 -1.193 10.592 -11.433 619 3HB ALA 79 3HB ALA 79 -2.265 10.415 -12.839 620 H ALA 80 H ALA 80 -1.137 7.904 -9.623 621 HA ALA 80 HA ALA 80 0.104 6.348 -11.770 622 1HB ALA 80 1HB ALA 80 1.298 7.200 -9.658 623 2HB ALA 80 2HB ALA 80 0.333 6.087 -8.697 624 3HB ALA 80 3HB ALA 80 1.429 5.427 -9.910 625 H PHE 81 H PHE 81 -1.728 5.575 -8.766 626 HA PHE 81 HA PHE 81 -2.265 2.973 -9.411 627 1HB PHE 81 1HB PHE 81 -4.037 4.895 -7.890 628 2HB PHE 81 2HB PHE 81 -3.818 3.196 -7.553 629 HD1 PHE 81 1HD PHE 81 -3.181 6.122 -6.116 630 HD2 PHE 81 2HD PHE 81 -0.937 2.708 -7.487 631 HE1 PHE 81 1HE PHE 81 -1.372 6.671 -4.548 632 HE2 PHE 81 2HE PHE 81 0.904 3.305 -5.951 633 HZ PHE 81 HZ PHE 81 0.678 5.278 -4.459 634 H GLU 82 H GLU 82 -4.216 5.925 -10.148 635 HA GLU 82 HA GLU 82 -6.349 4.552 -11.420 636 1HB GLU 82 1HB GLU 82 -5.314 7.398 -11.511 637 2HB GLU 82 2HB GLU 82 -6.598 6.877 -12.589 638 1HG GLU 82 1HG GLU 82 -7.866 6.029 -10.546 639 2HG GLU 82 2HG GLU 82 -6.654 6.851 -9.561 640 H ALA 83 H ALA 83 -3.038 4.930 -12.692 641 HA ALA 83 HA ALA 83 -3.975 4.770 -15.455 642 1HB ALA 83 1HB ALA 83 -1.704 4.120 -15.964 643 2HB ALA 83 2HB ALA 83 -1.673 5.488 -14.842 644 3HB ALA 83 3HB ALA 83 -1.330 3.839 -14.253 645 H MET 84 H MET 84 -3.099 2.493 -12.835 646 HA MET 84 HA MET 84 -3.728 0.194 -14.584 647 1HB MET 84 1HB MET 84 -3.176 -0.989 -12.250 648 2HB MET 84 2HB MET 84 -2.005 -0.578 -13.492 649 1HG MET 84 1HG MET 84 -1.448 1.516 -12.196 650 2HG MET 84 2HG MET 84 -2.534 0.934 -10.928 651 1HE MET 84 1HE MET 84 0.260 1.441 -9.797 652 2HE MET 84 2HE MET 84 -1.018 0.561 -8.960 653 3HE MET 84 3HE MET 84 0.604 -0.147 -9.076 654 H GLY 85 H GLY 85 -5.366 2.138 -12.219 655 1HA GLY 85 1HA GLY 85 -7.718 1.992 -11.776 656 2HA GLY 85 2HA GLY 85 -7.720 0.298 -12.285 657 H VAL 86 H VAL 86 -5.144 1.469 -10.211 658 HA VAL 86 HA VAL 86 -5.897 -0.468 -8.185 659 HB VAL 86 HB VAL 86 -3.488 1.367 -8.737 660 1HG1 VAL 86 1HG1 VAL 86 -2.273 0.374 -6.812 661 2HG1 VAL 86 2HG1 VAL 86 -3.672 1.291 -6.246 662 3HG1 VAL 86 3HG1 VAL 86 -3.745 -0.467 -6.294 663 1HG2 VAL 86 1HG2 VAL 86 -2.460 -0.971 -8.878 664 2HG2 VAL 86 2HG2 VAL 86 -4.044 -1.645 -8.553 665 3HG2 VAL 86 3HG2 VAL 86 -3.788 -0.733 -10.026 666 H LYS 87 H LYS 87 -7.204 -0.071 -6.620 667 HA LYS 87 HA LYS 87 -8.328 2.510 -5.958 668 1HB LYS 87 1HB LYS 87 -9.507 0.429 -5.638 669 2HB LYS 87 2HB LYS 87 -8.346 -0.066 -4.397 670 1HG LYS 87 1HG LYS 87 -8.937 1.904 -3.027 671 2HG LYS 87 2HG LYS 87 -9.967 2.534 -4.327 672 1HD LYS 87 1HD LYS 87 -10.400 -0.176 -3.136 673 2HD LYS 87 2HD LYS 87 -10.998 1.262 -2.291 674 1HE LYS 87 1HE LYS 87 -11.702 0.659 -5.193 675 2HE LYS 87 2HE LYS 87 -12.634 0.009 -3.827 676 1HZ LYS 87 1HZ LYS 87 -13.334 2.078 -3.211 677 2HZ LYS 87 2HZ LYS 87 -12.197 2.922 -4.067 678 3HZ LYS 87 3HZ LYS 87 -13.468 2.158 -4.804 679 H VAL 88 H VAL 88 -7.765 3.950 -4.276 680 HA VAL 88 HA VAL 88 -5.399 3.339 -2.632 681 HB VAL 88 HB VAL 88 -4.494 4.411 -4.456 682 1HG1 VAL 88 1HG1 VAL 88 -6.346 5.183 -5.764 683 2HG1 VAL 88 2HG1 VAL 88 -6.764 6.414 -4.560 684 3HG1 VAL 88 3HG1 VAL 88 -5.267 6.541 -5.495 685 1HG2 VAL 88 1HG2 VAL 88 -5.021 6.807 -2.655 686 2HG2 VAL 88 2HG2 VAL 88 -3.925 5.495 -2.212 687 3HG2 VAL 88 3HG2 VAL 88 -3.598 6.472 -3.656 688 H ILE 89 H ILE 89 -6.600 3.122 -0.752 689 HA ILE 89 HA ILE 89 -8.813 4.940 -0.122 690 HB ILE 89 HB ILE 89 -7.494 2.550 1.197 691 1HG1 ILE 89 1HG1 ILE 89 -10.388 3.245 0.566 692 2HG1 ILE 89 2HG1 ILE 89 -9.319 2.465 -0.599 693 1HG2 ILE 89 1HG2 ILE 89 -9.235 4.617 2.578 694 2HG2 ILE 89 2HG2 ILE 89 -9.206 2.933 3.116 695 3HG2 ILE 89 3HG2 ILE 89 -7.729 3.897 3.132 696 1HD1 ILE 89 1HD1 ILE 89 -10.701 0.792 0.349 697 2HD1 ILE 89 2HD1 ILE 89 -9.064 0.545 0.992 698 3HD1 ILE 89 3HD1 ILE 89 -10.325 1.292 2.009 699 H LYS 90 H LYS 90 -8.679 6.817 1.052 700 HA LYS 90 HA LYS 90 -5.990 7.681 1.962 701 1HB LYS 90 1HB LYS 90 -8.368 9.103 0.742 702 2HB LYS 90 2HB LYS 90 -6.967 9.966 1.367 703 1HG LYS 90 1HG LYS 90 -5.613 9.391 -0.334 704 2HG LYS 90 2HG LYS 90 -6.252 7.785 -0.545 705 1HD LYS 90 1HD LYS 90 -7.545 10.313 -1.583 706 2HD LYS 90 2HD LYS 90 -6.648 9.083 -2.537 707 1HE LYS 90 1HE LYS 90 -8.399 7.630 -1.148 708 2HE LYS 90 2HE LYS 90 -9.399 9.060 -1.500 709 1HZ LYS 90 1HZ LYS 90 -8.065 7.166 -3.361 710 2HZ LYS 90 2HZ LYS 90 -9.610 7.203 -3.018 711 3HZ LYS 90 3HZ LYS 90 -9.022 8.452 -3.892 712 H GLY 91 H GLY 91 -6.165 9.573 3.489 713 1HA GLY 91 1HA GLY 91 -6.679 10.432 5.530 714 2HA GLY 91 2HA GLY 91 -8.308 9.791 5.325 715 H ALA 92 H ALA 92 -5.985 7.245 5.147 716 HA ALA 92 HA ALA 92 -7.035 6.066 7.586 717 1HB ALA 92 1HB ALA 92 -5.514 4.199 6.954 718 2HB ALA 92 2HB ALA 92 -6.558 4.686 5.604 719 3HB ALA 92 3HB ALA 92 -4.847 5.196 5.648 720 H SER 93 H SER 93 -5.419 5.103 9.225 721 HA SER 93 HA SER 93 -3.294 6.961 9.983 722 1HB SER 93 1HB SER 93 -4.722 7.637 11.956 723 2HB SER 93 2HB SER 93 -5.296 8.260 10.399 724 HG SER 93 HG SER 93 -6.329 5.966 11.698 725 H GLY 94 H GLY 94 -1.878 5.732 11.138 726 1HA GLY 94 1HA GLY 94 -2.066 4.357 13.369 727 2HA GLY 94 2HA GLY 94 -2.856 3.171 12.322 728 H THR 95 H THR 95 -0.984 1.809 13.169 729 HA THR 95 HA THR 95 1.512 2.233 11.631 730 HB THR 95 HB THR 95 2.183 0.053 12.714 731 HG1 THR 95 1HG THR 95 0.787 -0.568 14.519 732 1HG2 THR 95 1HG2 THR 95 2.715 2.254 13.794 733 2HG2 THR 95 2HG2 THR 95 1.229 2.108 14.756 734 3HG2 THR 95 3HG2 THR 95 2.532 0.920 14.942 735 H VAL 96 H VAL 96 2.252 0.231 10.347 736 HA VAL 96 HA VAL 96 0.518 -0.180 8.196 737 HB VAL 96 HB VAL 96 3.004 -1.586 9.216 738 1HG1 VAL 96 1HG1 VAL 96 3.124 -2.863 7.055 739 2HG1 VAL 96 2HG1 VAL 96 1.895 -3.470 8.164 740 3HG1 VAL 96 3HG1 VAL 96 1.420 -2.458 6.783 741 1HG2 VAL 96 1HG2 VAL 96 3.989 -0.583 7.255 742 2HG2 VAL 96 2HG2 VAL 96 2.395 -0.123 6.629 743 3HG2 VAL 96 3HG2 VAL 96 3.014 0.651 8.095 744 H GLU 97 H GLU 97 1.266 -2.545 10.827 745 HA GLU 97 HA GLU 97 -0.544 -4.446 9.792 746 1HB GLU 97 1HB GLU 97 -0.276 -5.634 11.884 747 2HB GLU 97 2HB GLU 97 1.250 -5.059 11.236 748 1HG GLU 97 1HG GLU 97 1.385 -3.276 12.884 749 2HG GLU 97 2HG GLU 97 -0.269 -3.584 13.435 750 H GLU 98 H GLU 98 -1.123 -1.725 11.870 751 HA GLU 98 HA GLU 98 -3.688 -2.523 12.934 752 1HB GLU 98 1HB GLU 98 -2.168 -1.051 14.099 753 2HB GLU 98 2HB GLU 98 -2.124 0.076 12.743 754 1HG GLU 98 1HG GLU 98 -4.422 0.756 13.146 755 2HG GLU 98 2HG GLU 98 -4.596 -0.486 14.411 756 H VAL 99 H VAL 99 -2.619 -0.122 10.395 757 HA VAL 99 HA VAL 99 -5.173 0.568 9.462 758 HB VAL 99 HB VAL 99 -2.316 0.531 8.367 759 1HG1 VAL 99 1HG1 VAL 99 -4.686 1.683 6.952 760 2HG1 VAL 99 2HG1 VAL 99 -2.974 1.915 6.494 761 3HG1 VAL 99 3HG1 VAL 99 -3.702 0.312 6.373 762 1HG2 VAL 99 1HG2 VAL 99 -2.498 2.966 8.573 763 2HG2 VAL 99 2HG2 VAL 99 -4.215 2.840 9.000 764 3HG2 VAL 99 3HG2 VAL 99 -2.970 2.234 10.117 765 H VAL 100 H VAL 100 -2.955 -2.055 8.564 766 HA VAL 100 HA VAL 100 -4.382 -3.217 6.407 767 HB VAL 100 HB VAL 100 -2.435 -4.202 8.505 768 1HG1 VAL 100 1HG1 VAL 100 -2.176 -6.348 7.346 769 2HG1 VAL 100 2HG1 VAL 100 -3.745 -6.209 8.135 770 3HG1 VAL 100 3HG1 VAL 100 -3.615 -5.993 6.376 771 1HG2 VAL 100 1HG2 VAL 100 -2.157 -4.136 5.476 772 2HG2 VAL 100 2HG2 VAL 100 -1.697 -2.798 6.530 773 3HG2 VAL 100 3HG2 VAL 100 -0.885 -4.354 6.702 774 H ASN 101 H ASN 101 -4.524 -3.976 9.960 775 HA ASN 101 HA ASN 101 -6.591 -5.910 9.596 776 1HB ASN 101 1HB ASN 101 -5.131 -5.887 11.594 777 2HB ASN 101 2HB ASN 101 -5.717 -4.284 12.040 778 1HD2 ASN 101 1HD2 ASN 101 -6.579 -7.762 11.891 779 2HD2 ASN 101 2HD2 ASN 101 -7.907 -7.555 13.023 780 H GLN 102 H GLN 102 -6.793 -2.423 10.542 781 HA GLN 102 HA GLN 102 -9.569 -2.331 11.039 782 1HB GLN 102 1HB GLN 102 -7.870 -0.183 9.680 783 2HB GLN 102 2HB GLN 102 -9.486 0.022 10.346 784 1HG GLN 102 1HG GLN 102 -7.999 -0.994 12.508 785 2HG GLN 102 2HG GLN 102 -6.881 0.088 11.684 786 1HE2 GLN 102 1HE2 GLN 102 -8.893 0.176 14.231 787 2HE2 GLN 102 2HE2 GLN 102 -9.484 1.818 14.090 788 H TYR 103 H TYR 103 -7.797 -1.891 7.952 789 HA TYR 103 HA TYR 103 -10.088 -1.575 6.310 790 1HB TYR 103 1HB TYR 103 -7.882 -0.958 5.627 791 2HB TYR 103 2HB TYR 103 -7.283 -2.603 5.717 792 HD1 TYR 103 1HD TYR 103 -10.159 -0.732 4.153 793 HD2 TYR 103 2HD TYR 103 -7.194 -3.877 3.679 794 HE1 TYR 103 1HE TYR 103 -11.097 -1.298 1.950 795 HE2 TYR 103 2HE TYR 103 -8.258 -4.586 1.636 796 HH TYR 103 HH TYR 103 -10.091 -4.166 0.121 797 H LEU 104 H LEU 104 -8.133 -4.595 6.892 798 HA LEU 104 HA LEU 104 -9.683 -6.249 5.363 799 1HB LEU 104 1HB LEU 104 -7.785 -6.564 7.727 800 2HB LEU 104 2HB LEU 104 -8.801 -7.940 7.296 801 HG LEU 104 HG LEU 104 -8.122 -7.680 4.970 802 1HD1 LEU 104 1HD1 LEU 104 -5.794 -6.042 5.840 803 2HD1 LEU 104 2HD1 LEU 104 -6.180 -6.599 4.196 804 3HD1 LEU 104 3HD1 LEU 104 -7.221 -5.417 4.988 805 1HD2 LEU 104 1HD2 LEU 104 -5.823 -8.252 6.864 806 2HD2 LEU 104 2HD2 LEU 104 -7.094 -9.407 6.402 807 3HD2 LEU 104 3HD2 LEU 104 -5.945 -8.815 5.177 808 H SER 105 H SER 105 -10.293 -5.001 8.639 809 HA SER 105 HA SER 105 -12.443 -6.910 9.184 810 1HB SER 105 1HB SER 105 -11.554 -4.341 10.525 811 2HB SER 105 2HB SER 105 -12.879 -5.388 11.074 812 HG SER 105 HG SER 105 -10.546 -5.686 11.869 813 H GLY 106 H GLY 106 -12.124 -3.567 7.954 814 1HA GLY 106 1HA GLY 106 -13.521 -3.071 6.035 815 2HA GLY 106 2HA GLY 106 -14.893 -3.832 6.833 816 H GLN 107 H GLN 107 -12.590 -1.643 8.476 817 HA GLN 107 HA GLN 107 -14.819 0.290 8.893 818 1HB GLN 107 1HB GLN 107 -12.025 0.058 10.092 819 2HB GLN 107 2HB GLN 107 -13.237 1.252 10.568 820 1HG GLN 107 1HG GLN 107 -13.674 -1.759 10.720 821 2HG GLN 107 2HG GLN 107 -13.042 -0.810 12.039 822 1HE2 GLN 107 1HE2 GLN 107 -14.474 0.473 13.284 823 2HE2 GLN 107 2HE2 GLN 107 -16.200 0.546 13.024 824 H LEU 108 H LEU 108 -11.748 0.042 7.334 825 HA LEU 108 HA LEU 108 -11.465 2.924 6.795 826 1HB LEU 108 1HB LEU 108 -9.785 0.521 6.711 827 2HB LEU 108 2HB LEU 108 -9.601 1.452 5.250 828 HG LEU 108 HG LEU 108 -8.823 3.372 6.434 829 1HD1 LEU 108 1HD1 LEU 108 -8.511 3.389 8.922 830 2HD1 LEU 108 2HD1 LEU 108 -10.203 3.459 8.457 831 3HD1 LEU 108 3HD1 LEU 108 -9.514 1.932 9.033 832 1HD2 LEU 108 1HD2 LEU 108 -6.826 2.434 7.545 833 2HD2 LEU 108 2HD2 LEU 108 -7.602 0.848 7.624 834 3HD2 LEU 108 3HD2 LEU 108 -7.222 1.559 6.050 835 H LYS 109 H LYS 109 -11.594 3.898 4.657 836 HA LYS 109 HA LYS 109 -13.159 2.452 2.690 837 1HB LYS 109 1HB LYS 109 -14.533 3.151 4.813 838 2HB LYS 109 2HB LYS 109 -14.180 4.819 4.355 839 1HG LYS 109 1HG LYS 109 -16.348 4.270 3.510 840 2HG LYS 109 2HG LYS 109 -15.251 4.361 2.158 841 1HD LYS 109 1HD LYS 109 -15.089 1.681 2.606 842 2HD LYS 109 2HD LYS 109 -16.647 1.975 3.343 843 1HE LYS 109 1HE LYS 109 -15.729 2.768 0.564 844 2HE LYS 109 2HE LYS 109 -16.847 1.434 0.929 845 1HZ LYS 109 1HZ LYS 109 -18.460 3.095 1.704 846 2HZ LYS 109 2HZ LYS 109 -17.375 4.315 1.346 847 3HZ LYS 109 3HZ LYS 109 -18.008 3.421 0.170 848 H ASP 110 H ASP 110 -13.863 4.196 0.895 849 HA ASP 110 HA ASP 110 -11.275 5.531 0.253 850 1HB ASP 110 1HB ASP 110 -11.824 3.488 -1.096 851 2HB ASP 110 2HB ASP 110 -13.315 4.254 -1.607 852 H SER 111 H SER 111 -13.016 6.986 1.787 853 HA SER 111 HA SER 111 -14.896 8.361 0.016 854 1HB SER 111 1HB SER 111 -14.880 9.028 2.880 855 2HB SER 111 2HB SER 111 -16.205 8.477 1.833 856 HG SER 111 HG SER 111 -15.089 7.124 3.684 857 H ASP 112 H ASP 112 -11.838 8.977 0.807 858 HA ASP 112 HA ASP 112 -12.225 11.857 1.500 859 1HB ASP 112 1HB ASP 112 -10.156 9.814 2.372 860 2HB ASP 112 2HB ASP 112 -9.872 11.552 2.507 861 H TYR 113 H TYR 113 -12.335 12.546 -0.600 862 HA TYR 113 HA TYR 113 -9.779 12.329 -2.149 863 1HB TYR 113 1HB TYR 113 -11.811 11.119 -3.077 864 2HB TYR 113 2HB TYR 113 -12.556 12.691 -3.319 865 HD1 TYR 113 1HD TYR 113 -9.745 10.484 -4.280 866 HD2 TYR 113 2HD TYR 113 -11.722 14.217 -5.029 867 HE1 TYR 113 1HE TYR 113 -8.439 10.756 -6.402 868 HE2 TYR 113 2HE TYR 113 -10.286 14.601 -6.988 869 HH TYR 113 HH TYR 113 -8.440 13.864 -8.161 870 H GLU 114 H GLU 114 -9.127 14.182 -3.352 871 HA GLU 114 HA GLU 114 -9.803 16.753 -2.224 872 1HB GLU 114 1HB GLU 114 -8.193 17.663 -3.835 873 2HB GLU 114 2HB GLU 114 -7.560 16.451 -2.733 874 1HG GLU 114 1HG GLU 114 -7.591 14.754 -4.518 875 2HG GLU 114 2HG GLU 114 -8.260 15.937 -5.643 876 H VAL 115 H VAL 115 -12.062 16.352 -2.637 877 HA VAL 115 HA VAL 115 -14.034 16.824 -3.433 878 HB VAL 115 HB VAL 115 -12.554 18.792 -5.179 879 1HG1 VAL 115 1HG1 VAL 115 -15.493 18.740 -4.348 880 2HG1 VAL 115 2HG1 VAL 115 -14.680 20.032 -5.270 881 3HG1 VAL 115 3HG1 VAL 115 -14.889 18.441 -5.990 882 1HG2 VAL 115 1HG2 VAL 115 -13.288 20.404 -3.359 883 2HG2 VAL 115 2HG2 VAL 115 -13.748 18.989 -2.395 884 3HG2 VAL 115 3HG2 VAL 115 -12.056 19.237 -2.857 885 H HIS 116 H HIS 116 -12.152 16.892 -6.573 886 HA HIS 116 HA HIS 116 -13.333 14.477 -7.447 887 1HB HIS 116 1HB HIS 116 -15.324 16.161 -7.590 888 2HB HIS 116 2HB HIS 116 -14.442 16.906 -8.919 889 HD1 HIS 116 1HD HIS 116 -15.917 16.129 -10.943 890 HD2 HIS 116 2HD HIS 116 -14.988 13.065 -8.162 891 HE1 HIS 116 1HE HIS 116 -16.722 13.873 -11.975 892 HE2 HIS 116 2HE HIS 116 -16.152 12.046 -10.226 893 H ASP 117 H ASP 117 -12.909 14.353 -10.026 894 HA ASP 117 HA ASP 117 -10.304 14.141 -10.441 895 1HB ASP 117 1HB ASP 117 -12.039 13.301 -11.959 896 2HB ASP 117 2HB ASP 117 -12.269 14.928 -12.602 897 H HIS 118 H HIS 118 -12.028 17.104 -11.421 898 HA HIS 118 HA HIS 118 -11.276 19.205 -12.005 899 1HB HIS 118 1HB HIS 118 -11.576 19.145 -9.546 900 2HB HIS 118 2HB HIS 118 -9.884 18.705 -9.347 901 HD1 HIS 118 1HD HIS 118 -8.088 20.597 -9.788 902 HD2 HIS 118 2HD HIS 118 -12.127 21.786 -9.964 903 HE1 HIS 118 1HE HIS 118 -8.099 23.202 -9.749 904 HE2 HIS 118 2HE HIS 118 -10.530 23.925 -9.937 905 H HIS 119 H HIS 119 -10.106 18.178 -13.821 906 HA HIS 119 HA HIS 119 -7.401 17.493 -13.826 907 1HB HIS 119 1HB HIS 119 -9.191 17.051 -15.570 908 2HB HIS 119 2HB HIS 119 -8.936 18.691 -16.157 909 HD1 HIS 119 1HD HIS 119 -8.141 15.495 -17.251 910 HD2 HIS 119 2HD HIS 119 -5.784 18.919 -16.402 911 HE1 HIS 119 1HE HIS 119 -5.934 15.303 -18.631 912 HE2 HIS 119 2HE HIS 119 -4.490 17.382 -18.009 913 H HIS 120 H HIS 120 -5.968 18.867 -12.867 914 HA HIS 120 HA HIS 120 -5.092 21.211 -14.336 915 1HB HIS 120 1HB HIS 120 -6.694 22.194 -12.717 916 2HB HIS 120 2HB HIS 120 -5.957 21.280 -11.401 917 HD1 HIS 120 1HD HIS 120 -4.819 24.049 -13.938 918 HD2 HIS 120 2HD HIS 120 -4.359 22.727 -9.934 919 HE1 HIS 120 1HE HIS 120 -3.312 25.743 -12.762 920 HE2 HIS 120 2HE HIS 120 -3.030 24.939 -10.322 921 H HIS 121 H HIS 121 -2.881 21.288 -14.099 922 HA HIS 121 HA HIS 121 -0.753 20.756 -13.575 923 1HB HIS 121 1HB HIS 121 -1.673 18.518 -11.737 924 2HB HIS 121 2HB HIS 121 -0.045 19.072 -12.014 925 HD1 HIS 121 1HD HIS 121 -2.182 19.312 -9.285 926 HD2 HIS 121 2HD HIS 121 -0.097 22.122 -11.632 927 HE1 HIS 121 1HE HIS 121 -1.878 21.431 -7.825 928 HE2 HIS 121 2HE HIS 121 -0.559 23.103 -9.252 929 H GLU 122 H GLU 122 0.622 19.046 -14.401 930 HA GLU 122 HA GLU 122 -0.694 17.324 -16.389 931 1HB GLU 122 1HB GLU 122 -0.168 20.066 -16.872 932 2HB GLU 122 2HB GLU 122 1.235 19.274 -17.549 933 1HG GLU 122 1HG GLU 122 -0.365 19.440 -19.295 934 2HG GLU 122 2HG GLU 122 -0.351 17.744 -18.826 935 H HIS 123 H HIS 123 1.717 17.272 -17.997 936 HA HIS 123 HA HIS 123 3.499 15.627 -16.251 937 1HB HIS 123 1HB HIS 123 4.098 14.447 -18.373 938 2HB HIS 123 2HB HIS 123 2.448 14.211 -17.820 939 HD1 HIS 123 1HD HIS 123 4.385 15.511 -20.859 940 HD2 HIS 123 2HD HIS 123 0.441 15.535 -19.254 941 HE1 HIS 123 1HE HIS 123 2.793 16.289 -22.725 942 HE2 HIS 123 2HE HIS 123 0.455 16.415 -21.711 943 H HIS 124 H HIS 124 3.563 18.038 -19.016 944 HA HIS 124 HA HIS 124 5.832 19.179 -17.780 945 1HB HIS 124 1HB HIS 124 7.359 19.211 -19.433 946 2HB HIS 124 2HB HIS 124 6.777 17.578 -19.642 947 HD1 HIS 124 1HD HIS 124 8.086 19.941 -21.793 948 HD2 HIS 124 2HD HIS 124 4.223 18.212 -21.602 949 HE1 HIS 124 1HE HIS 124 7.056 20.165 -24.105 950 HE2 HIS 124 2HE HIS 124 4.742 19.102 -24.022 Start of MODEL 13 1 1H MET 1 1H MET 1 -4.177 -10.449 -3.421 2 HA MET 1 HA MET 1 -3.378 -8.385 -4.238 3 1HB MET 1 1HB MET 1 -4.993 -6.801 -3.506 4 2HB MET 1 2HB MET 1 -5.775 -8.395 -3.394 5 1HG MET 1 1HG MET 1 -4.795 -8.167 -0.919 6 2HG MET 1 2HG MET 1 -4.887 -6.455 -1.271 7 1HE MET 1 1HE MET 1 -7.246 -5.257 -2.008 8 2HE MET 1 2HE MET 1 -7.511 -6.544 -3.205 9 3HE MET 1 3HE MET 1 -8.788 -6.146 -2.064 10 H ILE 2 H ILE 2 -2.366 -6.196 -3.730 11 HA ILE 2 HA ILE 2 -0.657 -6.415 -1.318 12 HB ILE 2 HB ILE 2 0.166 -5.211 -3.924 13 1HG1 ILE 2 1HG1 ILE 2 0.523 -8.103 -3.058 14 2HG1 ILE 2 2HG1 ILE 2 -0.360 -7.525 -4.485 15 1HG2 ILE 2 1HG2 ILE 2 2.002 -6.445 -1.897 16 2HG2 ILE 2 2HG2 ILE 2 2.316 -5.181 -3.108 17 3HG2 ILE 2 3HG2 ILE 2 1.378 -4.839 -1.636 18 1HD1 ILE 2 1HD1 ILE 2 1.719 -6.645 -5.448 19 2HD1 ILE 2 2HD1 ILE 2 2.637 -7.379 -4.090 20 3HD1 ILE 2 3HD1 ILE 2 1.726 -8.404 -5.199 21 H ILE 3 H ILE 3 -0.555 -4.680 -0.095 22 HA ILE 3 HA ILE 3 -2.344 -2.370 -0.599 23 HB ILE 3 HB ILE 3 -1.708 -4.083 1.831 24 1HG1 ILE 3 1HG1 ILE 3 -4.489 -3.544 0.752 25 2HG1 ILE 3 2HG1 ILE 3 -3.469 -4.726 -0.033 26 1HG2 ILE 3 1HG2 ILE 3 -3.181 -1.443 1.666 27 2HG2 ILE 3 2HG2 ILE 3 -3.414 -2.598 3.010 28 3HG2 ILE 3 3HG2 ILE 3 -1.834 -1.879 2.713 29 1HD1 ILE 3 1HD1 ILE 3 -4.875 -5.811 1.653 30 2HD1 ILE 3 2HD1 ILE 3 -3.164 -5.908 2.156 31 3HD1 ILE 3 3HD1 ILE 3 -4.259 -4.732 2.916 32 H ALA 4 H ALA 4 -0.983 -0.743 -1.002 33 HA ALA 4 HA ALA 4 1.715 -0.580 0.283 34 1HB ALA 4 1HB ALA 4 1.352 1.925 -0.881 35 2HB ALA 4 2HB ALA 4 2.212 0.574 -1.578 36 3HB ALA 4 3HB ALA 4 0.492 0.835 -1.996 37 H ILE 5 H ILE 5 2.133 0.478 2.129 38 HA ILE 5 HA ILE 5 0.375 2.763 2.824 39 HB ILE 5 HB ILE 5 1.541 0.698 4.709 40 1HG1 ILE 5 1HG1 ILE 5 -1.323 1.673 4.567 41 2HG1 ILE 5 2HG1 ILE 5 -0.785 0.451 3.420 42 1HG2 ILE 5 1HG2 ILE 5 0.441 2.171 6.498 43 2HG2 ILE 5 2HG2 ILE 5 1.829 2.935 5.719 44 3HG2 ILE 5 3HG2 ILE 5 0.175 3.386 5.239 45 1HD1 ILE 5 1HD1 ILE 5 -0.193 -1.068 5.143 46 2HD1 ILE 5 2HD1 ILE 5 -0.661 0.106 6.411 47 3HD1 ILE 5 3HD1 ILE 5 -1.879 -0.564 5.307 48 HA PRO 6 HA PRO 6 4.560 4.537 2.408 49 1HB PRO 6 1HB PRO 6 3.848 7.150 2.896 50 2HB PRO 6 2HB PRO 6 3.598 6.363 1.314 51 1HG PRO 6 1HG PRO 6 1.597 6.844 3.502 52 2HG PRO 6 2HG PRO 6 1.385 7.032 1.741 53 1HD PRO 6 1HD PRO 6 0.569 4.830 3.187 54 2HD PRO 6 2HD PRO 6 1.050 4.722 1.463 55 H VAL 7 H VAL 7 5.951 4.409 4.227 56 HA VAL 7 HA VAL 7 4.780 5.237 6.835 57 HB VAL 7 HB VAL 7 6.160 3.520 7.936 58 1HG1 VAL 7 1HG1 VAL 7 4.473 2.029 7.894 59 2HG1 VAL 7 2HG1 VAL 7 3.646 3.361 7.179 60 3HG1 VAL 7 3HG1 VAL 7 4.256 2.063 6.118 61 1HG2 VAL 7 1HG2 VAL 7 6.618 2.447 5.122 62 2HG2 VAL 7 2HG2 VAL 7 7.819 2.908 6.358 63 3HG2 VAL 7 3HG2 VAL 7 6.803 1.487 6.588 64 H SER 8 H SER 8 6.249 5.962 8.429 65 HA SER 8 HA SER 8 7.979 7.887 7.178 66 1HB SER 8 1HB SER 8 6.548 8.005 9.431 67 2HB SER 8 2HB SER 8 8.071 7.430 10.159 68 HG SER 8 HG SER 8 9.134 9.229 9.223 69 H GLU 9 H GLU 9 8.524 4.746 8.875 70 HA GLU 9 HA GLU 9 11.272 4.754 7.975 71 1HB GLU 9 1HB GLU 9 10.636 4.252 10.898 72 2HB GLU 9 2HB GLU 9 12.178 3.997 10.130 73 1HG GLU 9 1HG GLU 9 10.850 6.720 10.410 74 2HG GLU 9 2HG GLU 9 12.066 6.065 11.489 75 H ASN 10 H ASN 10 12.168 2.547 8.612 76 HA ASN 10 HA ASN 10 10.433 0.398 7.706 77 1HB ASN 10 1HB ASN 10 12.706 -0.757 7.567 78 2HB ASN 10 2HB ASN 10 12.451 0.564 6.467 79 1HD2 ASN 10 1HD2 ASN 10 14.975 0.050 6.576 80 2HD2 ASN 10 2HD2 ASN 10 15.822 1.268 7.544 81 H ARG 11 H ARG 11 9.240 0.033 9.593 82 HA ARG 11 HA ARG 11 10.858 -1.130 11.789 83 1HB ARG 11 1HB ARG 11 8.288 0.370 12.250 84 2HB ARG 11 2HB ARG 11 9.412 -0.253 13.433 85 1HG ARG 11 1HG ARG 11 11.093 1.453 12.626 86 2HG ARG 11 2HG ARG 11 9.852 2.097 11.532 87 1HD ARG 11 1HD ARG 11 8.360 2.571 13.363 88 2HD ARG 11 2HD ARG 11 9.399 1.757 14.517 89 HE ARG 11 HE ARG 11 10.002 4.320 13.077 90 1HH1 ARG 11 2HH2 ARG 11 10.074 2.386 16.018 91 2HH1 ARG 11 1HH2 ARG 11 10.945 3.511 16.992 92 1HH2 ARG 11 2HH1 ARG 11 11.277 5.881 14.288 93 2HH2 ARG 11 1HH1 ARG 11 11.514 5.649 15.971 94 H GLY 12 H GLY 12 9.709 -2.446 9.520 95 1HA GLY 12 1HA GLY 12 8.877 -4.539 9.100 96 2HA GLY 12 2HA GLY 12 8.837 -4.785 10.859 97 H LYS 13 H LYS 13 6.909 -3.961 11.958 98 HA LYS 13 HA LYS 13 4.442 -3.890 10.280 99 1HB LYS 13 1HB LYS 13 4.793 -5.224 12.975 100 2HB LYS 13 2HB LYS 13 3.293 -5.152 12.097 101 1HG LYS 13 1HG LYS 13 4.142 -6.580 10.327 102 2HG LYS 13 2HG LYS 13 5.779 -6.507 10.980 103 1HD LYS 13 1HD LYS 13 3.450 -7.705 12.522 104 2HD LYS 13 2HD LYS 13 4.557 -8.628 11.468 105 1HE LYS 13 1HE LYS 13 6.495 -7.863 12.782 106 2HE LYS 13 2HE LYS 13 5.449 -6.912 13.830 107 1HZ LYS 13 1HZ LYS 13 6.045 -9.118 14.755 108 2HZ LYS 13 2HZ LYS 13 4.431 -8.900 14.612 109 3HZ LYS 13 3HZ LYS 13 5.217 -9.841 13.530 110 H ASP 14 H ASP 14 6.081 -2.994 13.176 111 HA ASP 14 HA ASP 14 4.334 -1.017 14.269 112 1HB ASP 14 1HB ASP 14 7.336 -0.763 14.457 113 2HB ASP 14 2HB ASP 14 6.121 -0.374 15.668 114 H SER 15 H SER 15 5.896 -0.974 11.352 115 HA SER 15 HA SER 15 6.976 1.552 10.842 116 1HB SER 15 1HB SER 15 6.110 -0.797 9.484 117 2HB SER 15 2HB SER 15 5.631 0.594 8.540 118 HG SER 15 HG SER 15 7.848 1.278 8.635 119 HA PRO 16 HA PRO 16 3.094 3.689 11.688 120 1HB PRO 16 1HB PRO 16 4.003 6.164 12.238 121 2HB PRO 16 2HB PRO 16 4.333 4.801 13.352 122 1HG PRO 16 1HG PRO 16 6.170 5.917 11.182 123 2HG PRO 16 2HG PRO 16 6.544 5.617 12.894 124 1HD PRO 16 1HD PRO 16 7.134 3.767 10.973 125 2HD PRO 16 2HD PRO 16 6.582 3.292 12.605 126 H ILE 17 H ILE 17 1.719 4.647 10.248 127 HA ILE 17 HA ILE 17 2.461 5.037 7.575 128 HB ILE 17 HB ILE 17 0.248 4.432 8.422 129 1HG1 ILE 17 1HG1 ILE 17 0.120 6.932 6.700 130 2HG1 ILE 17 2HG1 ILE 17 0.667 5.385 6.112 131 1HG2 ILE 17 1HG2 ILE 17 0.226 6.084 10.313 132 2HG2 ILE 17 2HG2 ILE 17 -0.153 7.343 9.128 133 3HG2 ILE 17 3HG2 ILE 17 -1.263 5.955 9.378 134 1HD1 ILE 17 1HD1 ILE 17 -1.641 5.640 5.494 135 2HD1 ILE 17 2HD1 ILE 17 -1.547 4.375 6.739 136 3HD1 ILE 17 3HD1 ILE 17 -2.109 6.011 7.166 137 H SER 18 H SER 18 3.083 6.691 6.373 138 HA SER 18 HA SER 18 4.167 9.116 7.556 139 1HB SER 18 1HB SER 18 5.021 7.755 5.433 140 2HB SER 18 2HB SER 18 3.666 8.624 4.644 141 HG SER 18 HG SER 18 5.744 9.914 6.067 142 H GLU 19 H GLU 19 3.601 11.179 6.427 143 HA GLU 19 HA GLU 19 0.667 11.469 6.667 144 1HB GLU 19 1HB GLU 19 2.904 13.542 6.404 145 2HB GLU 19 2HB GLU 19 1.232 13.962 6.666 146 1HG GLU 19 1HG GLU 19 2.033 12.104 8.755 147 2HG GLU 19 2HG GLU 19 3.240 13.393 8.629 148 H HIS 20 H HIS 20 2.992 11.398 4.141 149 HA HIS 20 HA HIS 20 0.917 12.204 2.136 150 1HB HIS 20 1HB HIS 20 3.813 13.099 1.942 151 2HB HIS 20 2HB HIS 20 2.436 13.594 0.962 152 HD1 HIS 20 1HD HIS 20 4.610 15.085 3.405 153 HD2 HIS 20 2HD HIS 20 0.391 14.784 3.056 154 HE1 HIS 20 1HE HIS 20 3.592 16.987 4.790 155 HE2 HIS 20 2HE HIS 20 1.082 16.784 4.658 156 H PHE 21 H PHE 21 2.172 11.647 -0.051 157 HA PHE 21 HA PHE 21 3.080 8.795 0.257 158 1HB PHE 21 1HB PHE 21 0.823 8.789 -0.453 159 2HB PHE 21 2HB PHE 21 1.104 10.071 -1.638 160 HD1 PHE 21 1HD PHE 21 2.159 9.609 -3.816 161 HD2 PHE 21 2HD PHE 21 1.589 6.473 -0.890 162 HE1 PHE 21 1HE PHE 21 2.656 7.871 -5.563 163 HE2 PHE 21 2HE PHE 21 2.167 4.792 -2.610 164 HZ PHE 21 HZ PHE 21 2.648 5.502 -4.941 165 H GLY 22 H GLY 22 3.106 11.630 -1.977 166 1HA GLY 22 1HA GLY 22 4.805 10.477 -3.824 167 2HA GLY 22 2HA GLY 22 4.535 12.206 -3.651 168 H ARG 23 H ARG 23 5.864 11.281 -0.777 169 HA ARG 23 HA ARG 23 8.644 11.006 -1.405 170 1HB ARG 23 1HB ARG 23 9.341 12.992 -0.007 171 2HB ARG 23 2HB ARG 23 8.802 13.363 -1.622 172 1HG ARG 23 1HG ARG 23 6.733 13.473 0.567 173 2HG ARG 23 2HG ARG 23 7.963 14.732 0.562 174 1HD ARG 23 1HD ARG 23 7.321 15.588 -1.524 175 2HD ARG 23 2HD ARG 23 6.526 14.094 -2.012 176 HE ARG 23 HE ARG 23 5.492 15.767 0.203 177 1HH1 ARG 23 2HH2 ARG 23 4.974 14.712 -3.104 178 2HH1 ARG 23 1HH2 ARG 23 3.268 14.927 -3.114 179 1HH2 ARG 23 2HH1 ARG 23 3.259 16.107 0.248 180 2HH2 ARG 23 1HH1 ARG 23 2.175 15.549 -0.979 181 H ALA 24 H ALA 24 6.931 9.229 -0.343 182 HA ALA 24 HA ALA 24 7.153 9.202 2.600 183 1HB ALA 24 1HB ALA 24 6.427 6.879 2.325 184 2HB ALA 24 2HB ALA 24 5.368 7.947 1.374 185 3HB ALA 24 3HB ALA 24 6.608 6.969 0.566 186 HA PRO 25 HA PRO 25 11.410 7.655 1.808 187 1HB PRO 25 1HB PRO 25 12.152 6.899 4.328 188 2HB PRO 25 2HB PRO 25 12.055 8.601 3.796 189 1HG PRO 25 1HG PRO 25 9.972 7.009 5.307 190 2HG PRO 25 2HG PRO 25 10.585 8.659 5.673 191 1HD PRO 25 1HD PRO 25 8.244 8.182 4.336 192 2HD PRO 25 2HD PRO 25 9.290 9.583 3.944 193 H TYR 26 H TYR 26 8.726 5.702 3.020 194 HA TYR 26 HA TYR 26 10.009 3.235 1.986 195 1HB TYR 26 1HB TYR 26 8.893 3.688 4.760 196 2HB TYR 26 2HB TYR 26 9.196 2.079 4.097 197 HD1 TYR 26 1HD TYR 26 10.627 4.999 5.691 198 HD2 TYR 26 2HD TYR 26 11.533 1.276 3.753 199 HE1 TYR 26 1HE TYR 26 13.027 5.242 6.381 200 HE2 TYR 26 2HE TYR 26 13.874 1.472 4.496 201 HH TYR 26 HH TYR 26 15.503 3.055 5.047 202 H PHE 27 H PHE 27 8.440 1.594 1.535 203 HA PHE 27 HA PHE 27 5.564 2.276 1.808 204 1HB PHE 27 1HB PHE 27 6.967 1.033 -0.587 205 2HB PHE 27 2HB PHE 27 5.253 0.891 -0.358 206 HD1 PHE 27 1HD PHE 27 4.198 3.449 0.405 207 HD2 PHE 27 2HD PHE 27 7.592 2.668 -2.124 208 HE1 PHE 27 1HE PHE 27 3.930 5.667 -0.675 209 HE2 PHE 27 2HE PHE 27 7.235 4.815 -3.276 210 HZ PHE 27 HZ PHE 27 5.446 6.375 -2.485 211 H ALA 28 H ALA 28 4.770 0.869 3.251 212 HA ALA 28 HA ALA 28 5.782 -1.911 3.387 213 1HB ALA 28 1HB ALA 28 3.635 -0.359 4.909 214 2HB ALA 28 2HB ALA 28 3.953 -2.090 5.101 215 3HB ALA 28 3HB ALA 28 5.203 -0.901 5.547 216 H PHE 29 H PHE 29 5.339 -2.479 1.226 217 HA PHE 29 HA PHE 29 2.517 -2.623 0.415 218 1HB PHE 29 1HB PHE 29 5.146 -3.192 -0.822 219 2HB PHE 29 2HB PHE 29 3.898 -4.376 -1.190 220 HD1 PHE 29 1HD PHE 29 1.403 -2.747 -1.396 221 HD2 PHE 29 2HD PHE 29 5.389 -1.988 -2.857 222 HE1 PHE 29 1HE PHE 29 0.464 -1.193 -3.072 223 HE2 PHE 29 2HE PHE 29 4.400 -0.739 -4.741 224 HZ PHE 29 HZ PHE 29 1.879 -0.229 -4.800 225 H VAL 30 H VAL 30 1.543 -3.675 2.081 226 HA VAL 30 HA VAL 30 2.616 -6.272 3.034 227 HB VAL 30 HB VAL 30 -0.097 -5.015 3.655 228 1HG1 VAL 30 1HG1 VAL 30 0.175 -6.349 5.731 229 2HG1 VAL 30 2HG1 VAL 30 0.158 -7.373 4.299 230 3HG1 VAL 30 3HG1 VAL 30 1.699 -7.010 5.109 231 1HG2 VAL 30 1HG2 VAL 30 1.148 -4.239 5.802 232 2HG2 VAL 30 2HG2 VAL 30 2.636 -4.432 4.871 233 3HG2 VAL 30 3HG2 VAL 30 1.392 -3.280 4.336 234 H LYS 31 H LYS 31 1.500 -8.294 2.511 235 HA LYS 31 HA LYS 31 0.018 -8.095 -0.073 236 1HB LYS 31 1HB LYS 31 1.447 -10.459 1.211 237 2HB LYS 31 2HB LYS 31 0.634 -10.442 -0.364 238 1HG LYS 31 1HG LYS 31 2.197 -8.382 -0.876 239 2HG LYS 31 2HG LYS 31 3.141 -8.933 0.481 240 1HD LYS 31 1HD LYS 31 4.179 -9.898 -1.369 241 2HD LYS 31 2HD LYS 31 3.213 -11.236 -0.714 242 1HE LYS 31 1HE LYS 31 1.408 -10.724 -2.354 243 2HE LYS 31 2HE LYS 31 2.328 -9.323 -2.930 244 1HZ LYS 31 1HZ LYS 31 2.568 -11.168 -4.401 245 2HZ LYS 31 2HZ LYS 31 4.039 -10.851 -3.688 246 3HZ LYS 31 3HZ LYS 31 3.161 -12.136 -3.210 247 H VAL 32 H VAL 32 -1.413 -10.447 -0.016 248 HA VAL 32 HA VAL 32 -2.636 -10.799 2.567 249 HB VAL 32 HB VAL 32 -4.469 -10.294 0.179 250 1HG1 VAL 32 1HG1 VAL 32 -5.148 -10.524 3.163 251 2HG1 VAL 32 2HG1 VAL 32 -6.274 -10.312 1.804 252 3HG1 VAL 32 3HG1 VAL 32 -5.385 -11.812 1.967 253 1HG2 VAL 32 1HG2 VAL 32 -4.038 -8.400 2.545 254 2HG2 VAL 32 2HG2 VAL 32 -3.602 -8.078 0.853 255 3HG2 VAL 32 3HG2 VAL 32 -5.290 -8.252 1.294 256 H LYS 33 H LYS 33 -3.098 -12.839 2.848 257 HA LYS 33 HA LYS 33 -2.574 -14.887 0.784 258 1HB LYS 33 1HB LYS 33 -1.740 -15.063 3.206 259 2HB LYS 33 2HB LYS 33 -3.365 -15.180 3.726 260 1HG LYS 33 1HG LYS 33 -2.092 -17.280 3.675 261 2HG LYS 33 2HG LYS 33 -3.558 -17.410 2.741 262 1HD LYS 33 1HD LYS 33 -0.854 -16.870 1.442 263 2HD LYS 33 2HD LYS 33 -1.438 -18.487 1.860 264 1HE LYS 33 1HE LYS 33 -3.590 -17.760 0.491 265 2HE LYS 33 2HE LYS 33 -2.463 -16.616 -0.268 266 1HZ LYS 33 1HZ LYS 33 -2.110 -19.545 -0.106 267 2HZ LYS 33 2HZ LYS 33 -2.599 -18.721 -1.441 268 3HZ LYS 33 3HZ LYS 33 -1.083 -18.518 -0.872 269 H ASN 34 H ASN 34 -4.885 -16.444 2.404 270 HA ASN 34 HA ASN 34 -7.014 -15.867 0.559 271 1HB ASN 34 1HB ASN 34 -6.712 -18.025 1.809 272 2HB ASN 34 2HB ASN 34 -7.206 -17.209 3.305 273 1HD2 ASN 34 1HD2 ASN 34 -8.350 -18.895 0.537 274 2HD2 ASN 34 2HD2 ASN 34 -10.002 -18.314 0.569 275 H ASN 35 H ASN 35 -6.601 -15.093 4.081 276 HA ASN 35 HA ASN 35 -7.954 -12.504 3.677 277 1HB ASN 35 1HB ASN 35 -9.226 -14.886 4.716 278 2HB ASN 35 2HB ASN 35 -9.013 -13.768 6.065 279 1HD2 ASN 35 1HD2 ASN 35 -9.798 -13.334 2.524 280 2HD2 ASN 35 2HD2 ASN 35 -11.333 -12.526 2.860 281 H ALA 36 H ALA 36 -5.195 -13.642 4.558 282 HA ALA 36 HA ALA 36 -4.953 -12.182 7.118 283 1HB ALA 36 1HB ALA 36 -3.122 -13.797 7.695 284 2HB ALA 36 2HB ALA 36 -4.580 -14.726 7.361 285 3HB ALA 36 3HB ALA 36 -3.309 -14.613 6.138 286 H ILE 37 H ILE 37 -2.550 -11.435 7.306 287 HA ILE 37 HA ILE 37 -1.937 -9.665 5.245 288 HB ILE 37 HB ILE 37 -0.738 -10.638 7.809 289 1HG1 ILE 37 1HG1 ILE 37 -0.457 -8.153 8.148 290 2HG1 ILE 37 2HG1 ILE 37 -1.162 -7.903 6.552 291 1HG2 ILE 37 1HG2 ILE 37 1.331 -10.829 6.565 292 2HG2 ILE 37 2HG2 ILE 37 1.108 -9.215 5.857 293 3HG2 ILE 37 3HG2 ILE 37 1.382 -9.403 7.594 294 1HD1 ILE 37 1HD1 ILE 37 -2.789 -7.538 8.340 295 2HD1 ILE 37 2HD1 ILE 37 -3.288 -8.923 7.352 296 3HD1 ILE 37 3HD1 ILE 37 -2.532 -9.172 8.951 297 H ALA 38 H ALA 38 -1.160 -12.980 5.295 298 HA ALA 38 HA ALA 38 0.302 -14.349 4.236 299 1HB ALA 38 1HB ALA 38 0.153 -12.211 2.088 300 2HB ALA 38 2HB ALA 38 1.225 -13.618 1.954 301 3HB ALA 38 3HB ALA 38 -0.508 -13.845 2.073 302 H ASP 39 H ASP 39 1.658 -11.039 3.665 303 HA ASP 39 HA ASP 39 4.322 -11.826 4.575 304 1HB ASP 39 1HB ASP 39 3.801 -12.947 2.297 305 2HB ASP 39 2HB ASP 39 3.773 -11.326 1.623 306 H ILE 40 H ILE 40 5.833 -10.038 4.083 307 HA ILE 40 HA ILE 40 4.530 -7.345 4.037 308 HB ILE 40 HB ILE 40 6.481 -8.617 5.978 309 1HG1 ILE 40 1HG1 ILE 40 3.901 -8.525 6.382 310 2HG1 ILE 40 2HG1 ILE 40 5.035 -8.216 7.676 311 1HG2 ILE 40 1HG2 ILE 40 7.690 -6.694 5.483 312 2HG2 ILE 40 2HG2 ILE 40 6.233 -5.704 5.335 313 3HG2 ILE 40 3HG2 ILE 40 6.796 -6.261 6.941 314 1HD1 ILE 40 1HD1 ILE 40 3.679 -5.966 6.168 315 2HD1 ILE 40 2HD1 ILE 40 3.027 -6.681 7.649 316 3HD1 ILE 40 3HD1 ILE 40 4.598 -5.868 7.686 317 H SER 41 H SER 41 5.456 -6.148 2.253 318 HA SER 41 HA SER 41 8.332 -6.495 1.749 319 1HB SER 41 1HB SER 41 6.044 -5.432 0.025 320 2HB SER 41 2HB SER 41 7.722 -5.496 -0.400 321 HG SER 41 HG SER 41 7.071 -7.917 0.413 322 H VAL 42 H VAL 42 9.108 -5.120 3.361 323 HA VAL 42 HA VAL 42 7.916 -2.395 3.521 324 HB VAL 42 HB VAL 42 8.011 -3.324 5.651 325 1HG1 VAL 42 1HG1 VAL 42 9.930 -4.171 6.818 326 2HG1 VAL 42 2HG1 VAL 42 9.602 -5.164 5.407 327 3HG1 VAL 42 3HG1 VAL 42 10.944 -4.008 5.361 328 1HG2 VAL 42 1HG2 VAL 42 8.667 -0.965 5.437 329 2HG2 VAL 42 2HG2 VAL 42 9.382 -1.738 6.856 330 3HG2 VAL 42 3HG2 VAL 42 10.375 -1.437 5.409 331 H GLU 43 H GLU 43 8.542 -1.698 1.591 332 HA GLU 43 HA GLU 43 11.297 -2.151 0.681 333 1HB GLU 43 1HB GLU 43 8.696 -1.355 -0.688 334 2HB GLU 43 2HB GLU 43 10.276 -1.329 -1.518 335 1HG GLU 43 1HG GLU 43 10.660 -3.669 -1.065 336 2HG GLU 43 2HG GLU 43 9.224 -3.795 -0.052 337 H GLU 44 H GLU 44 12.716 -0.591 0.314 338 HA GLU 44 HA GLU 44 12.342 2.037 1.543 339 1HB GLU 44 1HB GLU 44 14.660 0.932 -0.124 340 2HB GLU 44 2HB GLU 44 14.685 2.375 0.876 341 1HG GLU 44 1HG GLU 44 13.790 0.354 2.636 342 2HG GLU 44 2HG GLU 44 14.923 -0.486 1.617 343 H ASN 45 H ASN 45 12.236 4.036 0.408 344 HA ASN 45 HA ASN 45 10.903 3.798 -2.171 345 1HB ASN 45 1HB ASN 45 11.203 5.913 -0.164 346 2HB ASN 45 2HB ASN 45 11.392 6.532 -1.766 347 1HD2 ASN 45 1HD2 ASN 45 9.194 4.733 0.302 348 2HD2 ASN 45 2HD2 ASN 45 7.765 5.043 -0.691 349 HA PRO 46 HA PRO 46 14.908 4.351 -4.199 350 1HB PRO 46 1HB PRO 46 14.107 3.993 -6.816 351 2HB PRO 46 2HB PRO 46 14.385 2.672 -5.641 352 1HG PRO 46 1HG PRO 46 11.757 3.906 -6.501 353 2HG PRO 46 2HG PRO 46 12.170 2.180 -6.211 354 1HD PRO 46 1HD PRO 46 10.891 3.810 -4.382 355 2HD PRO 46 2HD PRO 46 11.883 2.413 -3.925 356 H LEU 47 H LEU 47 12.026 6.275 -4.724 357 HA LEU 47 HA LEU 47 13.683 8.555 -5.776 358 1HB LEU 47 1HB LEU 47 10.832 7.836 -6.402 359 2HB LEU 47 2HB LEU 47 11.613 9.329 -6.899 360 HG LEU 47 HG LEU 47 11.388 8.084 -8.791 361 1HD1 LEU 47 1HD1 LEU 47 13.651 7.716 -9.585 362 2HD1 LEU 47 2HD1 LEU 47 13.558 9.174 -8.587 363 3HD1 LEU 47 3HD1 LEU 47 14.267 7.682 -7.924 364 1HD2 LEU 47 1HD2 LEU 47 12.762 5.660 -7.627 365 2HD2 LEU 47 2HD2 LEU 47 10.998 5.838 -7.783 366 3HD2 LEU 47 3HD2 LEU 47 12.031 5.825 -9.214 367 H ALA 48 H ALA 48 13.389 8.062 -3.000 368 HA ALA 48 HA ALA 48 11.120 9.236 -1.746 369 1HB ALA 48 1HB ALA 48 14.024 9.084 -0.793 370 2HB ALA 48 2HB ALA 48 12.612 9.438 0.224 371 3HB ALA 48 3HB ALA 48 12.779 7.840 -0.528 372 H GLN 49 H GLN 49 14.189 10.592 -2.898 373 HA GLN 49 HA GLN 49 13.200 13.356 -2.555 374 1HB GLN 49 1HB GLN 49 14.923 14.175 -1.291 375 2HB GLN 49 2HB GLN 49 14.151 12.879 -0.391 376 1HG GLN 49 1HG GLN 49 16.030 11.460 -0.541 377 2HG GLN 49 2HG GLN 49 16.670 12.293 -1.962 378 1HE2 GLN 49 1HE2 GLN 49 18.714 12.367 -0.761 379 2HE2 GLN 49 2HE2 GLN 49 19.010 13.675 0.363 380 H ASP 50 H ASP 50 14.041 11.498 -4.857 381 HA ASP 50 HA ASP 50 16.367 12.955 -5.964 382 1HB ASP 50 1HB ASP 50 16.190 10.578 -6.478 383 2HB ASP 50 2HB ASP 50 14.635 10.844 -7.270 384 H HIS 51 H HIS 51 15.117 14.924 -5.436 385 HA HIS 51 HA HIS 51 14.232 16.861 -6.215 386 1HB HIS 51 1HB HIS 51 15.940 15.686 -8.138 387 2HB HIS 51 2HB HIS 51 14.594 16.268 -9.074 388 HD1 HIS 51 1HD HIS 51 14.291 18.987 -9.122 389 HD2 HIS 51 2HD HIS 51 17.586 17.428 -6.961 390 HE1 HIS 51 1HE HIS 51 15.937 20.926 -8.776 391 HE2 HIS 51 2HE HIS 51 17.905 20.000 -7.391 392 H VAL 52 H VAL 52 12.266 14.756 -5.769 393 HA VAL 52 HA VAL 52 10.377 13.802 -6.436 394 HB VAL 52 HB VAL 52 8.467 15.397 -6.612 395 1HG1 VAL 52 1HG1 VAL 52 9.208 14.556 -4.467 396 2HG1 VAL 52 2HG1 VAL 52 10.481 15.772 -4.367 397 3HG1 VAL 52 3HG1 VAL 52 8.784 16.276 -4.294 398 1HG2 VAL 52 1HG2 VAL 52 9.613 17.300 -7.749 399 2HG2 VAL 52 2HG2 VAL 52 8.798 17.778 -6.247 400 3HG2 VAL 52 3HG2 VAL 52 10.562 17.587 -6.274 401 H HIS 53 H HIS 53 12.069 13.437 -8.457 402 HA HIS 53 HA HIS 53 10.936 14.052 -11.003 403 1HB HIS 53 1HB HIS 53 13.270 12.943 -10.242 404 2HB HIS 53 2HB HIS 53 12.398 11.448 -10.559 405 HD1 HIS 53 1HD HIS 53 12.792 10.706 -13.057 406 HD2 HIS 53 2HD HIS 53 13.183 14.861 -12.348 407 HE1 HIS 53 1HE HIS 53 13.627 11.768 -15.237 408 HE2 HIS 53 2HE HIS 53 13.913 14.265 -14.802 409 H GLY 54 H GLY 54 9.813 12.454 -12.456 410 1HA GLY 54 1HA GLY 54 7.342 12.110 -11.354 411 2HA GLY 54 2HA GLY 54 7.836 11.421 -12.893 412 H ALA 55 H ALA 55 9.816 9.581 -11.505 413 HA ALA 55 HA ALA 55 8.013 7.502 -11.894 414 1HB ALA 55 1HB ALA 55 10.335 7.550 -12.678 415 2HB ALA 55 2HB ALA 55 10.914 7.368 -11.008 416 3HB ALA 55 3HB ALA 55 9.962 6.074 -11.771 417 H VAL 56 H VAL 56 8.413 8.870 -8.828 418 HA VAL 56 HA VAL 56 8.689 6.786 -7.035 419 HB VAL 56 HB VAL 56 7.011 9.284 -7.082 420 1HG1 VAL 56 1HG1 VAL 56 6.064 9.083 -4.894 421 2HG1 VAL 56 2HG1 VAL 56 5.352 7.875 -5.952 422 3HG1 VAL 56 3HG1 VAL 56 6.610 7.414 -4.769 423 1HG2 VAL 56 1HG2 VAL 56 9.283 9.446 -6.354 424 2HG2 VAL 56 2HG2 VAL 56 8.236 9.690 -4.938 425 3HG2 VAL 56 3HG2 VAL 56 9.037 8.138 -5.143 426 HA PRO 57 HA PRO 57 4.150 5.262 -7.460 427 1HB PRO 57 1HB PRO 57 3.012 6.337 -9.901 428 2HB PRO 57 2HB PRO 57 2.434 6.605 -8.209 429 1HG PRO 57 1HG PRO 57 3.428 8.607 -9.818 430 2HG PRO 57 2HG PRO 57 3.554 8.588 -8.022 431 1HD PRO 57 1HD PRO 57 5.626 7.715 -10.056 432 2HD PRO 57 2HD PRO 57 5.792 8.730 -8.605 433 H ASN 58 H ASN 58 5.931 5.854 -10.488 434 HA ASN 58 HA ASN 58 4.865 3.646 -11.979 435 1HB ASN 58 1HB ASN 58 6.020 5.497 -13.092 436 2HB ASN 58 2HB ASN 58 7.509 5.135 -12.219 437 1HD2 ASN 58 1HD2 ASN 58 5.122 3.081 -14.092 438 2HD2 ASN 58 2HD2 ASN 58 6.377 2.376 -15.077 439 H PHE 59 H PHE 59 7.724 4.040 -9.821 440 HA PHE 59 HA PHE 59 8.727 1.416 -9.897 441 1HB PHE 59 1HB PHE 59 10.047 2.872 -8.694 442 2HB PHE 59 2HB PHE 59 8.691 3.644 -7.887 443 HD1 PHE 59 1HD PHE 59 10.358 0.253 -8.056 444 HD2 PHE 59 2HD PHE 59 8.325 3.189 -5.622 445 HE1 PHE 59 1HE PHE 59 10.578 -1.214 -6.076 446 HE2 PHE 59 2HE PHE 59 8.543 1.655 -3.656 447 HZ PHE 59 HZ PHE 59 9.613 -0.551 -3.899 448 H VAL 60 H VAL 60 6.351 2.597 -7.405 449 HA VAL 60 HA VAL 60 5.694 -0.042 -6.573 450 HB VAL 60 HB VAL 60 3.602 1.148 -5.629 451 1HG1 VAL 60 1HG1 VAL 60 5.885 0.853 -4.396 452 2HG1 VAL 60 2HG1 VAL 60 6.219 2.514 -4.886 453 3HG1 VAL 60 3HG1 VAL 60 4.844 2.163 -3.832 454 1HG2 VAL 60 1HG2 VAL 60 3.306 2.918 -7.114 455 2HG2 VAL 60 2HG2 VAL 60 3.556 3.490 -5.477 456 3HG2 VAL 60 3HG2 VAL 60 4.894 3.576 -6.654 457 H LYS 61 H LYS 61 4.878 1.189 -9.530 458 HA LYS 61 HA LYS 61 2.478 -0.541 -9.784 459 1HB LYS 61 1HB LYS 61 3.400 1.934 -11.173 460 2HB LYS 61 2HB LYS 61 2.581 0.730 -12.148 461 1HG LYS 61 1HG LYS 61 1.075 2.451 -11.168 462 2HG LYS 61 2HG LYS 61 0.630 0.778 -10.854 463 1HD LYS 61 1HD LYS 61 2.107 1.837 -8.589 464 2HD LYS 61 2HD LYS 61 0.775 2.854 -9.010 465 1HE LYS 61 1HE LYS 61 0.083 1.176 -7.365 466 2HE LYS 61 2HE LYS 61 -0.806 1.025 -8.879 467 1HZ LYS 61 1HZ LYS 61 -0.210 -1.135 -8.034 468 2HZ LYS 61 2HZ LYS 61 0.550 -0.890 -9.420 469 3HZ LYS 61 3HZ LYS 61 1.404 -0.744 -8.005 470 H GLU 62 H GLU 62 5.817 -0.440 -10.676 471 HA GLU 62 HA GLU 62 5.548 -2.826 -12.316 472 1HB GLU 62 1HB GLU 62 7.789 -2.969 -12.331 473 2HB GLU 62 2HB GLU 62 7.673 -1.260 -11.863 474 1HG GLU 62 1HG GLU 62 7.930 -2.124 -9.427 475 2HG GLU 62 2HG GLU 62 8.220 -3.699 -10.104 476 H LYS 63 H LYS 63 5.185 -2.194 -8.897 477 HA LYS 63 HA LYS 63 6.037 -4.838 -8.066 478 1HB LYS 63 1HB LYS 63 4.683 -2.703 -6.377 479 2HB LYS 63 2HB LYS 63 5.609 -4.070 -5.796 480 1HG LYS 63 1HG LYS 63 6.699 -1.759 -7.414 481 2HG LYS 63 2HG LYS 63 6.813 -1.900 -5.681 482 1HD LYS 63 1HD LYS 63 8.106 -3.922 -7.576 483 2HD LYS 63 2HD LYS 63 8.867 -2.426 -7.049 484 1HE LYS 63 1HE LYS 63 9.684 -3.834 -5.454 485 2HE LYS 63 2HE LYS 63 8.266 -3.149 -4.644 486 1HZ LYS 63 1HZ LYS 63 8.372 -5.822 -5.939 487 2HZ LYS 63 2HZ LYS 63 8.439 -5.457 -4.323 488 3HZ LYS 63 3HZ LYS 63 7.073 -5.175 -5.135 489 H GLY 64 H GLY 64 3.797 -4.841 -9.811 490 1HA GLY 64 1HA GLY 64 1.727 -5.802 -10.196 491 2HA GLY 64 2HA GLY 64 2.160 -6.873 -8.892 492 H ALA 65 H ALA 65 1.871 -3.782 -7.552 493 HA ALA 65 HA ALA 65 -0.106 -4.853 -5.919 494 1HB ALA 65 1HB ALA 65 1.080 -2.051 -6.108 495 2HB ALA 65 2HB ALA 65 0.128 -2.703 -4.743 496 3HB ALA 65 3HB ALA 65 1.706 -3.419 -5.156 497 H GLU 66 H GLU 66 -2.207 -3.721 -5.106 498 HA GLU 66 HA GLU 66 -3.690 -2.685 -7.427 499 1HB GLU 66 1HB GLU 66 -4.095 -5.128 -5.749 500 2HB GLU 66 2HB GLU 66 -5.495 -4.242 -6.362 501 1HG GLU 66 1HG GLU 66 -4.692 -4.371 -8.652 502 2HG GLU 66 2HG GLU 66 -3.285 -5.327 -8.125 503 H LEU 67 H LEU 67 -3.005 -2.650 -3.945 504 HA LEU 67 HA LEU 67 -5.178 -0.752 -3.687 505 1HB LEU 67 1HB LEU 67 -5.680 -3.142 -2.903 506 2HB LEU 67 2HB LEU 67 -4.466 -2.931 -1.672 507 HG LEU 67 HG LEU 67 -6.775 -2.793 -0.919 508 1HD1 LEU 67 1HD1 LEU 67 -6.519 -1.301 0.735 509 2HD1 LEU 67 2HD1 LEU 67 -4.842 -1.361 0.166 510 3HD1 LEU 67 3HD1 LEU 67 -5.911 -0.018 -0.300 511 1HD2 LEU 67 1HD2 LEU 67 -7.768 -1.723 -2.901 512 2HD2 LEU 67 2HD2 LEU 67 -8.256 -0.953 -1.378 513 3HD2 LEU 67 3HD2 LEU 67 -7.043 -0.170 -2.415 514 H VAL 68 H VAL 68 -4.893 0.796 -1.953 515 HA VAL 68 HA VAL 68 -2.187 1.083 -0.831 516 HB VAL 68 HB VAL 68 -3.446 3.406 -2.304 517 1HG1 VAL 68 1HG1 VAL 68 -1.285 4.339 -2.293 518 2HG1 VAL 68 2HG1 VAL 68 -1.380 3.533 -0.715 519 3HG1 VAL 68 3HG1 VAL 68 -0.501 2.766 -2.048 520 1HG2 VAL 68 1HG2 VAL 68 -1.589 1.410 -3.677 521 2HG2 VAL 68 2HG2 VAL 68 -3.300 1.716 -4.069 522 3HG2 VAL 68 3HG2 VAL 68 -2.135 2.986 -4.312 523 H ILE 69 H ILE 69 -2.295 2.202 1.157 524 HA ILE 69 HA ILE 69 -4.861 3.411 1.969 525 HB ILE 69 HB ILE 69 -3.206 1.513 3.637 526 1HG1 ILE 69 1HG1 ILE 69 -6.045 1.099 2.641 527 2HG1 ILE 69 2HG1 ILE 69 -4.613 0.357 1.928 528 1HG2 ILE 69 1HG2 ILE 69 -5.639 3.238 4.223 529 2HG2 ILE 69 2HG2 ILE 69 -5.202 1.857 5.208 530 3HG2 ILE 69 3HG2 ILE 69 -4.073 3.194 5.100 531 1HD1 ILE 69 1HD1 ILE 69 -5.724 -0.169 4.700 532 2HD1 ILE 69 2HD1 ILE 69 -5.507 -1.287 3.355 533 3HD1 ILE 69 3HD1 ILE 69 -4.094 -0.643 4.220 534 H VAL 70 H VAL 70 -4.322 5.516 2.203 535 HA VAL 70 HA VAL 70 -1.619 6.270 3.226 536 HB VAL 70 HB VAL 70 -1.447 7.948 1.496 537 1HG1 VAL 70 1HG1 VAL 70 -2.323 5.430 0.060 538 2HG1 VAL 70 2HG1 VAL 70 -1.069 6.592 -0.426 539 3HG1 VAL 70 3HG1 VAL 70 -0.816 5.525 0.968 540 1HG2 VAL 70 1HG2 VAL 70 -3.800 8.583 1.118 541 2HG2 VAL 70 2HG2 VAL 70 -3.078 8.034 -0.408 542 3HG2 VAL 70 3HG2 VAL 70 -4.129 6.952 0.473 543 H ARG 71 H ARG 71 -1.605 8.856 3.519 544 HA ARG 71 HA ARG 71 -4.179 9.692 4.844 545 1HB ARG 71 1HB ARG 71 -1.339 10.588 5.487 546 2HB ARG 71 2HB ARG 71 -2.818 11.186 6.232 547 1HG ARG 71 1HG ARG 71 -3.116 8.596 6.813 548 2HG ARG 71 2HG ARG 71 -1.387 8.548 6.523 549 1HD ARG 71 1HD ARG 71 -1.568 8.922 8.835 550 2HD ARG 71 2HD ARG 71 -1.170 10.505 8.182 551 HE ARG 71 HE ARG 71 -3.979 9.640 8.651 552 1HH1 ARG 71 2HH2 ARG 71 -1.491 11.975 9.503 553 2HH1 ARG 71 1HH2 ARG 71 -2.327 12.653 10.847 554 1HH2 ARG 71 2HH1 ARG 71 -5.222 10.569 10.276 555 2HH2 ARG 71 1HH1 ARG 71 -4.616 11.798 11.300 556 H GLY 72 H GLY 72 -1.614 11.974 4.221 557 1HA GLY 72 1HA GLY 72 -3.388 13.519 2.566 558 2HA GLY 72 2HA GLY 72 -1.863 13.988 3.314 559 H ILE 73 H ILE 73 -2.879 11.552 0.949 560 HA ILE 73 HA ILE 73 -0.604 12.021 -0.757 561 HB ILE 73 HB ILE 73 -1.866 9.888 -0.659 562 1HG1 ILE 73 1HG1 ILE 73 -2.221 10.821 -3.512 563 2HG1 ILE 73 2HG1 ILE 73 -0.622 10.647 -2.803 564 1HG2 ILE 73 1HG2 ILE 73 -4.187 10.678 -0.414 565 2HG2 ILE 73 2HG2 ILE 73 -4.156 11.368 -2.052 566 3HG2 ILE 73 3HG2 ILE 73 -4.094 9.627 -1.839 567 1HD1 ILE 73 1HD1 ILE 73 -2.712 8.431 -3.045 568 2HD1 ILE 73 2HD1 ILE 73 -1.233 8.591 -3.974 569 3HD1 ILE 73 3HD1 ILE 73 -1.135 8.263 -2.242 570 H GLY 74 H GLY 74 -1.090 12.853 -3.211 571 1HA GLY 74 1HA GLY 74 -3.278 14.854 -3.333 572 2HA GLY 74 2HA GLY 74 -1.622 15.311 -3.775 573 H ARG 75 H ARG 75 -3.613 15.551 -5.650 574 HA ARG 75 HA ARG 75 -4.599 13.401 -6.999 575 1HB ARG 75 1HB ARG 75 -5.459 15.592 -7.427 576 2HB ARG 75 2HB ARG 75 -3.913 16.136 -8.093 577 1HG ARG 75 1HG ARG 75 -5.396 15.872 -9.920 578 2HG ARG 75 2HG ARG 75 -4.194 14.618 -10.039 579 1HD ARG 75 1HD ARG 75 -5.933 13.243 -10.415 580 2HD ARG 75 2HD ARG 75 -6.205 13.270 -8.673 581 HE ARG 75 HE ARG 75 -7.727 15.267 -9.141 582 1HH1 ARG 75 2HH2 ARG 75 -7.743 12.374 -11.311 583 2HH1 ARG 75 1HH2 ARG 75 -8.967 13.033 -12.276 584 1HH2 ARG 75 2HH1 ARG 75 -9.531 15.869 -10.260 585 2HH2 ARG 75 1HH1 ARG 75 -10.175 14.835 -11.475 586 H ARG 76 H ARG 76 -1.311 14.767 -7.666 587 HA ARG 76 HA ARG 76 -1.005 13.441 -10.121 588 1HB ARG 76 1HB ARG 76 0.613 15.119 -9.196 589 2HB ARG 76 2HB ARG 76 1.269 13.870 -8.119 590 1HG ARG 76 1HG ARG 76 1.905 12.482 -10.047 591 2HG ARG 76 2HG ARG 76 1.026 13.591 -11.117 592 1HD ARG 76 1HD ARG 76 2.857 15.289 -10.017 593 2HD ARG 76 2HD ARG 76 3.772 13.777 -10.066 594 HE ARG 76 HE ARG 76 2.755 15.401 -12.289 595 1HH1 ARG 76 2HH2 ARG 76 4.235 12.217 -11.519 596 2HH1 ARG 76 1HH2 ARG 76 4.461 11.846 -13.208 597 1HH2 ARG 76 2HH1 ARG 76 3.194 14.878 -14.470 598 2HH2 ARG 76 1HH1 ARG 76 4.293 13.581 -14.809 599 H ALA 77 H ALA 77 -0.983 12.023 -6.923 600 HA ALA 77 HA ALA 77 0.352 9.614 -7.969 601 1HB ALA 77 1HB ALA 77 1.231 10.336 -5.888 602 2HB ALA 77 2HB ALA 77 -0.401 10.431 -5.168 603 3HB ALA 77 3HB ALA 77 0.286 8.849 -5.618 604 H ILE 78 H ILE 78 -2.958 10.595 -6.567 605 HA ILE 78 HA ILE 78 -4.386 8.347 -7.008 606 HB ILE 78 HB ILE 78 -4.788 11.304 -7.397 607 1HG1 ILE 78 1HG1 ILE 78 -6.715 10.859 -5.856 608 2HG1 ILE 78 2HG1 ILE 78 -6.215 9.178 -5.816 609 1HG2 ILE 78 1HG2 ILE 78 -6.013 10.568 -9.357 610 2HG2 ILE 78 2HG2 ILE 78 -6.818 9.295 -8.424 611 3HG2 ILE 78 3HG2 ILE 78 -7.145 10.994 -8.092 612 1HD1 ILE 78 1HD1 ILE 78 -4.518 11.500 -4.859 613 2HD1 ILE 78 2HD1 ILE 78 -5.528 10.447 -3.829 614 3HD1 ILE 78 3HD1 ILE 78 -4.140 9.762 -4.700 615 H ALA 79 H ALA 79 -3.286 10.756 -9.472 616 HA ALA 79 HA ALA 79 -4.275 9.465 -11.730 617 1HB ALA 79 1HB ALA 79 -2.866 10.983 -12.983 618 2HB ALA 79 2HB ALA 79 -3.664 11.810 -11.622 619 3HB ALA 79 3HB ALA 79 -1.943 11.368 -11.522 620 H ALA 80 H ALA 80 -1.499 8.349 -9.877 621 HA ALA 80 HA ALA 80 -0.301 6.960 -12.183 622 1HB ALA 80 1HB ALA 80 1.005 5.879 -10.453 623 2HB ALA 80 2HB ALA 80 1.172 7.667 -10.382 624 3HB ALA 80 3HB ALA 80 0.199 6.791 -9.170 625 H PHE 81 H PHE 81 -2.077 6.156 -9.070 626 HA PHE 81 HA PHE 81 -2.340 3.462 -9.593 627 1HB PHE 81 1HB PHE 81 -4.022 5.456 -8.012 628 2HB PHE 81 2HB PHE 81 -4.009 3.728 -7.774 629 HD1 PHE 81 1HD PHE 81 -1.290 2.908 -7.815 630 HD2 PHE 81 2HD PHE 81 -2.996 6.415 -6.043 631 HE1 PHE 81 1HE PHE 81 0.522 2.899 -6.098 632 HE2 PHE 81 2HE PHE 81 -1.245 6.351 -4.273 633 HZ PHE 81 HZ PHE 81 0.465 4.555 -4.291 634 H GLU 82 H GLU 82 -4.354 6.225 -10.490 635 HA GLU 82 HA GLU 82 -6.520 5.140 -11.812 636 1HB GLU 82 1HB GLU 82 -4.628 7.447 -12.187 637 2HB GLU 82 2HB GLU 82 -5.803 7.179 -13.452 638 1HG GLU 82 1HG GLU 82 -6.770 7.213 -10.580 639 2HG GLU 82 2HG GLU 82 -6.363 8.732 -11.367 640 H ALA 83 H ALA 83 -3.100 5.029 -12.929 641 HA ALA 83 HA ALA 83 -3.770 4.463 -15.677 642 1HB ALA 83 1HB ALA 83 -1.523 5.302 -14.943 643 2HB ALA 83 2HB ALA 83 -1.249 3.736 -14.132 644 3HB ALA 83 3HB ALA 83 -1.425 3.791 -15.885 645 H MET 84 H MET 84 -3.797 2.591 -12.783 646 HA MET 84 HA MET 84 -4.350 0.100 -14.349 647 1HB MET 84 1HB MET 84 -3.353 -0.815 -11.967 648 2HB MET 84 2HB MET 84 -2.533 -0.719 -13.485 649 1HG MET 84 1HG MET 84 -2.306 1.738 -11.820 650 2HG MET 84 2HG MET 84 -1.573 0.323 -11.172 651 1HE MET 84 1HE MET 84 -0.473 -1.394 -13.594 652 2HE MET 84 2HE MET 84 1.106 -0.656 -13.915 653 3HE MET 84 3HE MET 84 0.564 -0.925 -12.248 654 H GLY 85 H GLY 85 -5.936 2.313 -12.490 655 1HA GLY 85 1HA GLY 85 -7.846 2.221 -11.193 656 2HA GLY 85 2HA GLY 85 -8.120 0.565 -11.780 657 H VAL 86 H VAL 86 -5.351 1.878 -9.989 658 HA VAL 86 HA VAL 86 -5.607 -0.207 -7.927 659 HB VAL 86 HB VAL 86 -3.436 1.827 -8.709 660 1HG1 VAL 86 1HG1 VAL 86 -3.292 1.883 -6.298 661 2HG1 VAL 86 2HG1 VAL 86 -3.511 0.143 -6.152 662 3HG1 VAL 86 3HG1 VAL 86 -2.015 0.771 -6.831 663 1HG2 VAL 86 1HG2 VAL 86 -3.790 -1.157 -8.617 664 2HG2 VAL 86 2HG2 VAL 86 -3.622 -0.118 -10.003 665 3HG2 VAL 86 3HG2 VAL 86 -2.237 -0.380 -8.933 666 H LYS 87 H LYS 87 -6.802 0.056 -6.176 667 HA LYS 87 HA LYS 87 -8.268 2.541 -5.892 668 1HB LYS 87 1HB LYS 87 -9.464 0.540 -5.650 669 2HB LYS 87 2HB LYS 87 -8.329 -0.156 -4.499 670 1HG LYS 87 1HG LYS 87 -9.145 1.118 -2.706 671 2HG LYS 87 2HG LYS 87 -9.722 2.392 -3.772 672 1HD LYS 87 1HD LYS 87 -11.578 1.204 -2.731 673 2HD LYS 87 2HD LYS 87 -11.619 1.094 -4.491 674 1HE LYS 87 1HE LYS 87 -10.735 -1.193 -4.425 675 2HE LYS 87 2HE LYS 87 -10.506 -1.091 -2.668 676 1HZ LYS 87 1HZ LYS 87 -12.569 -2.240 -3.250 677 2HZ LYS 87 2HZ LYS 87 -12.871 -0.858 -2.419 678 3HZ LYS 87 3HZ LYS 87 -13.108 -0.919 -4.050 679 H VAL 88 H VAL 88 -8.187 4.076 -4.293 680 HA VAL 88 HA VAL 88 -5.670 4.116 -2.711 681 HB VAL 88 HB VAL 88 -7.072 6.476 -4.044 682 1HG1 VAL 88 1HG1 VAL 88 -5.679 6.990 -2.049 683 2HG1 VAL 88 2HG1 VAL 88 -4.302 6.155 -2.796 684 3HG1 VAL 88 3HG1 VAL 88 -4.967 7.638 -3.541 685 1HG2 VAL 88 1HG2 VAL 88 -5.237 6.462 -5.696 686 2HG2 VAL 88 2HG2 VAL 88 -4.690 4.872 -5.051 687 3HG2 VAL 88 3HG2 VAL 88 -6.266 5.067 -5.837 688 H ILE 89 H ILE 89 -6.742 3.296 -0.888 689 HA ILE 89 HA ILE 89 -8.947 4.783 0.319 690 HB ILE 89 HB ILE 89 -7.189 2.447 1.121 691 1HG1 ILE 89 1HG1 ILE 89 -10.195 2.766 0.683 692 2HG1 ILE 89 2HG1 ILE 89 -9.051 2.136 -0.515 693 1HG2 ILE 89 1HG2 ILE 89 -8.244 2.186 3.234 694 2HG2 ILE 89 2HG2 ILE 89 -7.617 3.825 3.196 695 3HG2 ILE 89 3HG2 ILE 89 -9.345 3.543 2.944 696 1HD1 ILE 89 1HD1 ILE 89 -8.501 0.281 1.047 697 2HD1 ILE 89 2HD1 ILE 89 -9.805 0.872 2.120 698 3HD1 ILE 89 3HD1 ILE 89 -10.186 0.309 0.483 699 H LYS 90 H LYS 90 -8.730 6.552 1.666 700 HA LYS 90 HA LYS 90 -6.053 7.133 2.684 701 1HB LYS 90 1HB LYS 90 -6.028 9.357 1.555 702 2HB LYS 90 2HB LYS 90 -5.987 7.978 0.449 703 1HG LYS 90 1HG LYS 90 -8.412 8.250 0.043 704 2HG LYS 90 2HG LYS 90 -8.335 9.736 1.047 705 1HD LYS 90 1HD LYS 90 -6.612 10.649 -0.511 706 2HD LYS 90 2HD LYS 90 -6.734 9.117 -1.477 707 1HE LYS 90 1HE LYS 90 -9.021 9.465 -1.932 708 2HE LYS 90 2HE LYS 90 -9.127 10.657 -0.643 709 1HZ LYS 90 1HZ LYS 90 -7.930 12.230 -1.946 710 2HZ LYS 90 2HZ LYS 90 -7.887 11.150 -3.239 711 3HZ LYS 90 3HZ LYS 90 -9.307 11.750 -2.654 712 H GLY 91 H GLY 91 -5.932 8.486 4.332 713 1HA GLY 91 1HA GLY 91 -6.926 10.107 5.923 714 2HA GLY 91 2HA GLY 91 -8.481 9.320 5.667 715 H ALA 92 H ALA 92 -5.713 7.146 5.754 716 HA ALA 92 HA ALA 92 -6.838 5.813 8.102 717 1HB ALA 92 1HB ALA 92 -5.879 4.556 6.214 718 2HB ALA 92 2HB ALA 92 -4.298 5.330 6.476 719 3HB ALA 92 3HB ALA 92 -4.981 4.235 7.702 720 H SER 93 H SER 93 -5.008 5.169 9.934 721 HA SER 93 HA SER 93 -2.892 7.109 10.241 722 1HB SER 93 1HB SER 93 -3.712 7.916 12.456 723 2HB SER 93 2HB SER 93 -4.630 8.514 11.084 724 HG SER 93 HG SER 93 -6.177 6.787 11.533 725 H GLY 94 H GLY 94 -1.420 6.455 11.961 726 1HA GLY 94 1HA GLY 94 -0.785 5.187 13.827 727 2HA GLY 94 2HA GLY 94 -2.165 4.112 13.603 728 H THR 95 H THR 95 -0.877 2.248 13.780 729 HA THR 95 HA THR 95 1.463 1.994 12.145 730 HB THR 95 HB THR 95 1.114 -0.484 13.368 731 HG1 THR 95 1HG THR 95 -0.529 -0.389 14.810 732 1HG2 THR 95 1HG2 THR 95 2.343 0.435 15.276 733 2HG2 THR 95 2HG2 THR 95 2.936 1.104 13.745 734 3HG2 THR 95 3HG2 THR 95 1.889 2.090 14.786 735 H VAL 96 H VAL 96 1.900 0.270 10.641 736 HA VAL 96 HA VAL 96 -0.113 -0.036 8.693 737 HB VAL 96 HB VAL 96 2.510 -1.371 9.300 738 1HG1 VAL 96 1HG1 VAL 96 0.728 -1.919 6.895 739 2HG1 VAL 96 2HG1 VAL 96 2.461 -2.252 6.887 740 3HG1 VAL 96 3HG1 VAL 96 1.395 -3.090 8.017 741 1HG2 VAL 96 1HG2 VAL 96 1.728 0.384 6.956 742 2HG2 VAL 96 2HG2 VAL 96 2.312 1.055 8.483 743 3HG2 VAL 96 3HG2 VAL 96 3.357 -0.010 7.525 744 H GLU 97 H GLU 97 1.018 -2.329 11.199 745 HA GLU 97 HA GLU 97 -0.499 -4.533 10.295 746 1HB GLU 97 1HB GLU 97 -0.275 -5.496 12.542 747 2HB GLU 97 2HB GLU 97 1.217 -4.867 11.891 748 1HG GLU 97 1HG GLU 97 0.972 -2.809 13.284 749 2HG GLU 97 2HG GLU 97 -0.535 -3.492 13.917 750 H GLU 98 H GLU 98 -1.551 -1.717 12.037 751 HA GLU 98 HA GLU 98 -4.210 -2.678 12.838 752 1HB GLU 98 1HB GLU 98 -2.543 -0.179 13.205 753 2HB GLU 98 2HB GLU 98 -4.282 0.021 13.125 754 1HG GLU 98 1HG GLU 98 -3.543 -0.157 15.422 755 2HG GLU 98 2HG GLU 98 -4.621 -1.471 14.996 756 H VAL 99 H VAL 99 -2.797 -0.154 10.646 757 HA VAL 99 HA VAL 99 -5.158 0.660 9.426 758 HB VAL 99 HB VAL 99 -2.235 0.549 8.549 759 1HG1 VAL 99 1HG1 VAL 99 -4.442 1.964 7.124 760 2HG1 VAL 99 2HG1 VAL 99 -2.705 2.095 6.744 761 3HG1 VAL 99 3HG1 VAL 99 -3.551 0.567 6.467 762 1HG2 VAL 99 1HG2 VAL 99 -2.899 2.202 10.355 763 2HG2 VAL 99 2HG2 VAL 99 -2.398 3.016 8.853 764 3HG2 VAL 99 3HG2 VAL 99 -4.117 2.854 9.244 765 H VAL 100 H VAL 100 -3.015 -2.033 8.457 766 HA VAL 100 HA VAL 100 -4.456 -2.769 6.091 767 HB VAL 100 HB VAL 100 -2.589 -4.295 7.972 768 1HG1 VAL 100 1HG1 VAL 100 -3.749 -5.230 5.308 769 2HG1 VAL 100 2HG1 VAL 100 -2.356 -5.964 6.129 770 3HG1 VAL 100 3HG1 VAL 100 -3.934 -6.010 6.905 771 1HG2 VAL 100 1HG2 VAL 100 -1.571 -2.479 6.668 772 2HG2 VAL 100 2HG2 VAL 100 -1.043 -4.033 6.031 773 3HG2 VAL 100 3HG2 VAL 100 -2.277 -3.109 5.166 774 H ASN 101 H ASN 101 -4.751 -3.828 9.553 775 HA ASN 101 HA ASN 101 -6.849 -5.706 8.993 776 1HB ASN 101 1HB ASN 101 -5.670 -5.741 11.157 777 2HB ASN 101 2HB ASN 101 -6.221 -4.116 11.541 778 1HD2 ASN 101 1HD2 ASN 101 -6.789 -7.185 12.425 779 2HD2 ASN 101 2HD2 ASN 101 -8.478 -7.090 12.822 780 H GLN 102 H GLN 102 -6.995 -2.190 9.877 781 HA GLN 102 HA GLN 102 -9.777 -2.012 10.109 782 1HB GLN 102 1HB GLN 102 -7.936 0.101 8.898 783 2HB GLN 102 2HB GLN 102 -9.591 0.358 9.454 784 1HG GLN 102 1HG GLN 102 -8.733 -0.539 11.739 785 2HG GLN 102 2HG GLN 102 -7.121 -0.200 11.100 786 1HE2 GLN 102 1HE2 GLN 102 -8.683 1.070 13.312 787 2HE2 GLN 102 2HE2 GLN 102 -8.785 2.785 12.943 788 H TYR 103 H TYR 103 -7.859 -1.988 7.121 789 HA TYR 103 HA TYR 103 -10.117 -1.426 5.372 790 1HB TYR 103 1HB TYR 103 -8.088 -0.801 4.566 791 2HB TYR 103 2HB TYR 103 -7.245 -2.248 5.030 792 HD1 TYR 103 1HD TYR 103 -10.104 -1.165 2.882 793 HD2 TYR 103 2HD TYR 103 -6.856 -3.939 3.356 794 HE1 TYR 103 1HE TYR 103 -10.613 -2.129 0.642 795 HE2 TYR 103 2HE TYR 103 -7.375 -4.953 1.170 796 HH TYR 103 HH TYR 103 -9.718 -4.973 -0.363 797 H LEU 104 H LEU 104 -8.314 -4.427 6.191 798 HA LEU 104 HA LEU 104 -9.827 -6.141 4.563 799 1HB LEU 104 1HB LEU 104 -8.214 -6.503 7.133 800 2HB LEU 104 2HB LEU 104 -9.229 -7.787 6.498 801 HG LEU 104 HG LEU 104 -8.090 -7.514 4.300 802 1HD1 LEU 104 1HD1 LEU 104 -5.870 -6.267 5.878 803 2HD1 LEU 104 2HD1 LEU 104 -5.859 -6.671 4.148 804 3HD1 LEU 104 3HD1 LEU 104 -6.919 -5.395 4.765 805 1HD2 LEU 104 1HD2 LEU 104 -7.626 -9.460 5.811 806 2HD2 LEU 104 2HD2 LEU 104 -6.167 -8.964 4.926 807 3HD2 LEU 104 3HD2 LEU 104 -6.371 -8.502 6.623 808 H SER 105 H SER 105 -10.333 -4.805 7.757 809 HA SER 105 HA SER 105 -12.709 -6.373 8.409 810 1HB SER 105 1HB SER 105 -11.357 -4.007 9.765 811 2HB SER 105 2HB SER 105 -12.723 -4.909 10.432 812 HG SER 105 HG SER 105 -10.247 -5.480 10.789 813 H GLY 106 H GLY 106 -12.246 -3.711 6.361 814 1HA GLY 106 1HA GLY 106 -13.869 -2.782 5.029 815 2HA GLY 106 2HA GLY 106 -15.123 -3.425 6.095 816 H GLN 107 H GLN 107 -12.828 -1.620 7.897 817 HA GLN 107 HA GLN 107 -14.935 0.381 8.433 818 1HB GLN 107 1HB GLN 107 -12.174 -0.120 9.628 819 2HB GLN 107 2HB GLN 107 -13.292 1.108 10.210 820 1HG GLN 107 1HG GLN 107 -13.912 -1.879 10.068 821 2HG GLN 107 2HG GLN 107 -13.330 -1.047 11.501 822 1HE2 GLN 107 1HE2 GLN 107 -16.040 -2.468 10.970 823 2HE2 GLN 107 2HE2 GLN 107 -17.166 -1.255 11.504 824 H LEU 108 H LEU 108 -11.816 0.180 6.936 825 HA LEU 108 HA LEU 108 -11.438 3.057 6.598 826 1HB LEU 108 1HB LEU 108 -9.996 0.562 5.945 827 2HB LEU 108 2HB LEU 108 -9.788 1.785 4.727 828 HG LEU 108 HG LEU 108 -9.265 2.168 7.693 829 1HD1 LEU 108 1HD1 LEU 108 -6.880 2.043 7.065 830 2HD1 LEU 108 2HD1 LEU 108 -7.727 0.551 6.661 831 3HD1 LEU 108 3HD1 LEU 108 -7.363 1.701 5.379 832 1HD2 LEU 108 1HD2 LEU 108 -8.470 3.960 5.370 833 2HD2 LEU 108 2HD2 LEU 108 -9.736 4.333 6.559 834 3HD2 LEU 108 3HD2 LEU 108 -8.072 4.187 7.085 835 H LYS 109 H LYS 109 -11.265 4.125 4.366 836 HA LYS 109 HA LYS 109 -13.107 3.057 2.369 837 1HB LYS 109 1HB LYS 109 -14.236 4.462 4.384 838 2HB LYS 109 2HB LYS 109 -13.560 5.834 3.524 839 1HG LYS 109 1HG LYS 109 -15.783 5.613 2.755 840 2HG LYS 109 2HG LYS 109 -14.793 4.955 1.456 841 1HD LYS 109 1HD LYS 109 -15.225 2.660 2.852 842 2HD LYS 109 2HD LYS 109 -16.662 3.540 3.366 843 1HE LYS 109 1HE LYS 109 -15.787 3.330 0.462 844 2HE LYS 109 2HE LYS 109 -16.721 2.048 1.229 845 1HZ LYS 109 1HZ LYS 109 -17.659 4.844 0.948 846 2HZ LYS 109 2HZ LYS 109 -18.131 3.565 0.024 847 3HZ LYS 109 3HZ LYS 109 -18.513 3.603 1.609 848 H ASP 110 H ASP 110 -12.893 4.213 0.331 849 HA ASP 110 HA ASP 110 -10.651 6.119 0.133 850 1HB ASP 110 1HB ASP 110 -10.453 5.540 -2.204 851 2HB ASP 110 2HB ASP 110 -10.353 4.059 -1.262 852 H SER 111 H SER 111 -13.628 6.279 0.780 853 HA SER 111 HA SER 111 -15.345 7.792 0.510 854 1HB SER 111 1HB SER 111 -13.330 9.064 1.281 855 2HB SER 111 2HB SER 111 -13.116 9.605 -0.377 856 HG SER 111 HG SER 111 -14.518 11.056 -0.115 857 H ASP 112 H ASP 112 -14.800 9.967 -1.751 858 HA ASP 112 HA ASP 112 -15.850 8.357 -4.027 859 1HB ASP 112 1HB ASP 112 -16.972 10.664 -2.538 860 2HB ASP 112 2HB ASP 112 -16.884 10.935 -4.272 861 H TYR 113 H TYR 113 -14.269 8.367 -5.557 862 HA TYR 113 HA TYR 113 -13.077 10.962 -6.309 863 1HB TYR 113 1HB TYR 113 -11.483 8.964 -5.189 864 2HB TYR 113 2HB TYR 113 -11.363 8.604 -6.902 865 HD1 TYR 113 1HD TYR 113 -10.539 10.469 -8.499 866 HD2 TYR 113 2HD TYR 113 -10.409 10.787 -4.232 867 HE1 TYR 113 1HE TYR 113 -9.195 12.521 -8.724 868 HE2 TYR 113 2HE TYR 113 -9.049 12.901 -4.426 869 HH TYR 113 HH TYR 113 -8.342 14.479 -5.829 870 H GLU 114 H GLU 114 -12.893 11.164 -8.595 871 HA GLU 114 HA GLU 114 -14.661 9.522 -10.194 872 1HB GLU 114 1HB GLU 114 -13.904 10.857 -12.062 873 2HB GLU 114 2HB GLU 114 -14.160 11.936 -10.684 874 1HG GLU 114 1HG GLU 114 -11.686 11.868 -10.215 875 2HG GLU 114 2HG GLU 114 -11.479 10.855 -11.644 876 H VAL 115 H VAL 115 -13.794 8.285 -12.169 877 HA VAL 115 HA VAL 115 -11.078 7.220 -11.742 878 HB VAL 115 HB VAL 115 -13.556 5.532 -12.260 879 1HG1 VAL 115 1HG1 VAL 115 -10.625 4.692 -12.086 880 2HG1 VAL 115 2HG1 VAL 115 -12.035 3.594 -12.201 881 3HG1 VAL 115 3HG1 VAL 115 -11.638 4.650 -13.539 882 1HG2 VAL 115 1HG2 VAL 115 -11.644 5.608 -9.874 883 2HG2 VAL 115 2HG2 VAL 115 -13.348 6.095 -9.879 884 3HG2 VAL 115 3HG2 VAL 115 -12.932 4.403 -10.124 885 H HIS 116 H HIS 116 -9.924 7.200 -13.575 886 HA HIS 116 HA HIS 116 -9.333 7.228 -15.751 887 1HB HIS 116 1HB HIS 116 -11.650 5.754 -15.901 888 2HB HIS 116 2HB HIS 116 -12.007 7.046 -17.016 889 HD1 HIS 116 1HD HIS 116 -8.823 4.656 -16.525 890 HD2 HIS 116 2HD HIS 116 -11.797 5.921 -19.273 891 HE1 HIS 116 1HE HIS 116 -8.494 3.318 -18.633 892 HE2 HIS 116 2HE HIS 116 -10.318 4.096 -20.329 893 H ASP 117 H ASP 117 -10.640 8.657 -17.951 894 HA ASP 117 HA ASP 117 -10.203 10.720 -18.778 895 1HB ASP 117 1HB ASP 117 -12.588 11.117 -16.968 896 2HB ASP 117 2HB ASP 117 -11.933 12.468 -17.875 897 H HIS 118 H HIS 118 -8.036 10.636 -17.737 898 HA HIS 118 HA HIS 118 -7.650 13.268 -16.480 899 1HB HIS 118 1HB HIS 118 -7.717 11.642 -14.586 900 2HB HIS 118 2HB HIS 118 -6.275 10.864 -15.244 901 HD1 HIS 118 1HD HIS 118 -7.413 14.222 -13.742 902 HD2 HIS 118 2HD HIS 118 -3.957 12.026 -14.814 903 HE1 HIS 118 1HE HIS 118 -5.374 15.512 -12.776 904 HE2 HIS 118 2HE HIS 118 -3.278 14.110 -13.374 905 H HIS 119 H HIS 119 -7.221 13.379 -18.946 906 HA HIS 119 HA HIS 119 -4.413 13.514 -19.166 907 1HB HIS 119 1HB HIS 119 -5.209 10.944 -19.822 908 2HB HIS 119 2HB HIS 119 -5.355 11.717 -21.391 909 HD1 HIS 119 1HD HIS 119 -3.048 11.114 -22.650 910 HD2 HIS 119 2HD HIS 119 -2.709 11.825 -18.475 911 HE1 HIS 119 1HE HIS 119 -0.606 11.014 -22.103 912 HE2 HIS 119 2HE HIS 119 -0.362 11.335 -19.550 913 H HIS 120 H HIS 120 -3.708 14.566 -21.141 914 HA HIS 120 HA HIS 120 -5.676 15.330 -23.148 915 1HB HIS 120 1HB HIS 120 -5.528 17.071 -21.118 916 2HB HIS 120 2HB HIS 120 -4.010 17.528 -21.876 917 HD1 HIS 120 1HD HIS 120 -4.247 19.110 -23.991 918 HD2 HIS 120 2HD HIS 120 -7.849 17.465 -22.486 919 HE1 HIS 120 1HE HIS 120 -6.181 20.483 -25.005 920 HE2 HIS 120 2HE HIS 120 -8.363 19.463 -24.101 921 H HIS 121 H HIS 121 -4.495 15.571 -25.136 922 HA HIS 121 HA HIS 121 -1.793 16.181 -25.356 923 1HB HIS 121 1HB HIS 121 -1.711 13.656 -24.466 924 2HB HIS 121 2HB HIS 121 -2.105 13.249 -26.115 925 HD1 HIS 121 1HD HIS 121 0.057 15.835 -27.099 926 HD2 HIS 121 2HD HIS 121 0.569 12.279 -24.832 927 HE1 HIS 121 1HE HIS 121 2.517 15.162 -27.298 928 HE2 HIS 121 2HE HIS 121 2.850 13.071 -25.894 929 H GLU 122 H GLU 122 -4.077 13.823 -26.865 930 HA GLU 122 HA GLU 122 -5.021 15.572 -28.892 931 1HB GLU 122 1HB GLU 122 -3.229 15.168 -30.260 932 2HB GLU 122 2HB GLU 122 -2.771 13.670 -29.466 933 1HG GLU 122 1HG GLU 122 -5.213 13.741 -31.274 934 2HG GLU 122 2HG GLU 122 -3.589 13.639 -31.933 935 H HIS 123 H HIS 123 -6.991 14.644 -29.611 936 HA HIS 123 HA HIS 123 -7.928 12.230 -29.996 937 1HB HIS 123 1HB HIS 123 -7.859 12.635 -27.027 938 2HB HIS 123 2HB HIS 123 -9.411 12.212 -27.628 939 HD1 HIS 123 1HD HIS 123 -6.236 10.684 -29.254 940 HD2 HIS 123 2HD HIS 123 -9.503 9.784 -26.695 941 HE1 HIS 123 1HE HIS 123 -6.226 8.156 -28.906 942 HE2 HIS 123 2HE HIS 123 -8.176 7.581 -27.317 943 H HIS 124 H HIS 124 -10.558 12.370 -29.254 944 HA HIS 124 HA HIS 124 -11.444 15.123 -29.933 945 1HB HIS 124 1HB HIS 124 -13.052 12.545 -30.159 946 2HB HIS 124 2HB HIS 124 -13.540 14.139 -30.653 947 HD1 HIS 124 1HD HIS 124 -11.962 11.039 -31.925 948 HD2 HIS 124 2HD HIS 124 -11.825 15.164 -32.772 949 HE1 HIS 124 1HE HIS 124 -11.025 11.297 -34.312 950 HE2 HIS 124 2HE HIS 124 -10.943 13.836 -34.841 Start of MODEL 14 1 1H MET 1 1H MET 1 -5.256 -9.373 -5.145 2 HA MET 1 HA MET 1 -4.552 -7.179 -4.529 3 1HB MET 1 1HB MET 1 -6.638 -7.732 -3.692 4 2HB MET 1 2HB MET 1 -5.998 -8.690 -2.364 5 1HG MET 1 1HG MET 1 -5.319 -6.767 -1.160 6 2HG MET 1 2HG MET 1 -5.353 -5.741 -2.589 7 1HE MET 1 1HE MET 1 -8.403 -8.171 -1.987 8 2HE MET 1 2HE MET 1 -7.921 -7.908 -0.292 9 3HE MET 1 3HE MET 1 -9.429 -7.217 -0.916 10 H ILE 2 H ILE 2 -3.210 -5.771 -3.481 11 HA ILE 2 HA ILE 2 -1.335 -6.665 -1.446 12 HB ILE 2 HB ILE 2 -0.452 -5.149 -3.912 13 1HG1 ILE 2 1HG1 ILE 2 -0.027 -8.112 -3.341 14 2HG1 ILE 2 2HG1 ILE 2 -0.930 -7.401 -4.701 15 1HG2 ILE 2 1HG2 ILE 2 1.333 -6.511 -1.879 16 2HG2 ILE 2 2HG2 ILE 2 1.768 -5.290 -3.082 17 3HG2 ILE 2 3HG2 ILE 2 0.801 -4.867 -1.681 18 1HD1 ILE 2 1HD1 ILE 2 1.196 -6.318 -5.472 19 2HD1 ILE 2 2HD1 ILE 2 2.065 -7.296 -4.270 20 3HD1 ILE 2 3HD1 ILE 2 1.167 -8.083 -5.561 21 H ILE 3 H ILE 3 -0.793 -4.766 -0.195 22 HA ILE 3 HA ILE 3 -2.671 -2.482 -0.454 23 HB ILE 3 HB ILE 3 -1.977 -4.237 1.943 24 1HG1 ILE 3 1HG1 ILE 3 -4.794 -3.885 0.918 25 2HG1 ILE 3 2HG1 ILE 3 -3.730 -4.943 0.038 26 1HG2 ILE 3 1HG2 ILE 3 -3.713 -1.742 1.694 27 2HG2 ILE 3 2HG2 ILE 3 -3.746 -2.840 3.102 28 3HG2 ILE 3 3HG2 ILE 3 -2.274 -1.950 2.699 29 1HD1 ILE 3 1HD1 ILE 3 -4.400 -5.157 3.007 30 2HD1 ILE 3 2HD1 ILE 3 -5.001 -6.214 1.714 31 3HD1 ILE 3 3HD1 ILE 3 -3.275 -6.228 2.141 32 H ALA 4 H ALA 4 -1.304 -0.902 -0.851 33 HA ALA 4 HA ALA 4 1.412 -0.796 0.375 34 1HB ALA 4 1HB ALA 4 0.914 1.770 -0.626 35 2HB ALA 4 2HB ALA 4 1.857 0.495 -1.362 36 3HB ALA 4 3HB ALA 4 0.122 0.689 -1.782 37 H ILE 5 H ILE 5 2.155 0.722 1.859 38 HA ILE 5 HA ILE 5 0.283 2.697 2.951 39 HB ILE 5 HB ILE 5 1.811 0.698 4.649 40 1HG1 ILE 5 1HG1 ILE 5 -1.176 1.182 4.259 41 2HG1 ILE 5 2HG1 ILE 5 -0.277 -0.250 3.741 42 1HG2 ILE 5 1HG2 ILE 5 0.038 3.031 5.501 43 2HG2 ILE 5 2HG2 ILE 5 0.927 1.943 6.592 44 3HG2 ILE 5 3HG2 ILE 5 1.807 3.059 5.571 45 1HD1 ILE 5 1HD1 ILE 5 -1.605 -0.712 5.683 46 2HD1 ILE 5 2HD1 ILE 5 0.127 -0.918 6.017 47 3HD1 ILE 5 3HD1 ILE 5 -0.744 0.519 6.610 48 HA PRO 6 HA PRO 6 4.410 4.632 2.359 49 1HB PRO 6 1HB PRO 6 3.572 7.237 2.702 50 2HB PRO 6 2HB PRO 6 3.438 6.360 1.149 51 1HG PRO 6 1HG PRO 6 1.309 6.953 3.172 52 2HG PRO 6 2HG PRO 6 1.183 6.878 1.391 53 1HD PRO 6 1HD PRO 6 0.438 4.842 3.156 54 2HD PRO 6 2HD PRO 6 0.843 4.576 1.430 55 H VAL 7 H VAL 7 5.791 4.612 4.100 56 HA VAL 7 HA VAL 7 4.692 5.519 6.709 57 HB VAL 7 HB VAL 7 6.167 3.844 7.804 58 1HG1 VAL 7 1HG1 VAL 7 4.684 2.064 7.667 59 2HG1 VAL 7 2HG1 VAL 7 3.716 3.479 7.436 60 3HG1 VAL 7 3HG1 VAL 7 4.138 2.478 6.018 61 1HG2 VAL 7 1HG2 VAL 7 7.790 3.150 6.298 62 2HG2 VAL 7 2HG2 VAL 7 6.742 1.760 6.417 63 3HG2 VAL 7 3HG2 VAL 7 6.618 2.785 4.995 64 H SER 8 H SER 8 6.220 6.318 8.215 65 HA SER 8 HA SER 8 8.195 8.073 6.923 66 1HB SER 8 1HB SER 8 7.361 7.626 9.808 67 2HB SER 8 2HB SER 8 8.644 8.727 9.320 68 HG SER 8 HG SER 8 7.054 10.022 9.279 69 H GLU 9 H GLU 9 8.242 4.899 8.601 70 HA GLU 9 HA GLU 9 11.168 4.831 8.433 71 1HB GLU 9 1HB GLU 9 9.544 4.771 11.000 72 2HB GLU 9 2HB GLU 9 11.104 3.983 10.878 73 1HG GLU 9 1HG GLU 9 10.614 6.953 10.439 74 2HG GLU 9 2HG GLU 9 11.222 6.235 11.886 75 H ASN 10 H ASN 10 11.934 2.735 8.573 76 HA ASN 10 HA ASN 10 10.144 0.799 7.378 77 1HB ASN 10 1HB ASN 10 12.146 -0.292 6.697 78 2HB ASN 10 2HB ASN 10 12.372 1.408 6.464 79 1HD2 ASN 10 1HD2 ASN 10 14.508 -0.325 6.484 80 2HD2 ASN 10 2HD2 ASN 10 15.475 -0.116 7.942 81 H ARG 11 H ARG 11 9.197 0.890 9.844 82 HA ARG 11 HA ARG 11 10.716 -0.875 11.701 83 1HB ARG 11 1HB ARG 11 8.195 0.722 12.257 84 2HB ARG 11 2HB ARG 11 9.244 0.001 13.414 85 1HG ARG 11 1HG ARG 11 10.898 1.699 11.793 86 2HG ARG 11 2HG ARG 11 9.403 2.587 12.059 87 1HD ARG 11 1HD ARG 11 9.647 2.388 14.440 88 2HD ARG 11 2HD ARG 11 11.095 1.370 14.274 89 HE ARG 11 HE ARG 11 11.057 4.180 14.374 90 1HH1 ARG 11 2HH2 ARG 11 12.748 1.674 12.448 91 2HH1 ARG 11 1HH2 ARG 11 13.995 2.738 11.940 92 1HH2 ARG 11 2HH1 ARG 11 12.757 5.497 13.848 93 2HH2 ARG 11 1HH1 ARG 11 13.890 5.069 12.634 94 H GLY 12 H GLY 12 9.613 -2.229 9.446 95 1HA GLY 12 1HA GLY 12 8.316 -3.973 8.844 96 2HA GLY 12 2HA GLY 12 8.490 -4.507 10.520 97 H LYS 13 H LYS 13 6.577 -4.964 11.383 98 HA LYS 13 HA LYS 13 3.950 -4.325 10.491 99 1HB LYS 13 1HB LYS 13 5.084 -4.944 13.245 100 2HB LYS 13 2HB LYS 13 3.377 -4.998 12.893 101 1HG LYS 13 1HG LYS 13 3.575 -6.920 11.546 102 2HG LYS 13 2HG LYS 13 5.322 -6.736 11.355 103 1HD LYS 13 1HD LYS 13 3.972 -7.377 14.016 104 2HD LYS 13 2HD LYS 13 4.670 -8.578 12.927 105 1HE LYS 13 1HE LYS 13 6.842 -7.190 13.013 106 2HE LYS 13 2HE LYS 13 6.133 -6.341 14.392 107 1HZ LYS 13 1HZ LYS 13 7.584 -8.205 14.957 108 2HZ LYS 13 2HZ LYS 13 6.076 -8.422 15.583 109 3HZ LYS 13 3HZ LYS 13 6.549 -9.256 14.252 110 H ASP 14 H ASP 14 6.047 -2.930 12.917 111 HA ASP 14 HA ASP 14 4.209 -1.076 14.035 112 1HB ASP 14 1HB ASP 14 7.009 -0.417 14.604 113 2HB ASP 14 2HB ASP 14 5.702 -0.804 15.695 114 H SER 15 H SER 15 6.037 -0.836 11.189 115 HA SER 15 HA SER 15 6.936 1.726 10.860 116 1HB SER 15 1HB SER 15 5.298 0.258 8.832 117 2HB SER 15 2HB SER 15 6.492 1.562 8.579 118 HG SER 15 HG SER 15 6.821 -1.122 9.129 119 HA PRO 16 HA PRO 16 3.068 3.953 11.689 120 1HB PRO 16 1HB PRO 16 4.097 6.427 12.136 121 2HB PRO 16 2HB PRO 16 4.181 5.106 13.341 122 1HG PRO 16 1HG PRO 16 6.331 5.978 11.386 123 2HG PRO 16 2HG PRO 16 6.487 5.639 13.148 124 1HD PRO 16 1HD PRO 16 7.133 3.793 11.246 125 2HD PRO 16 2HD PRO 16 6.432 3.344 12.821 126 H ILE 17 H ILE 17 1.763 4.738 10.160 127 HA ILE 17 HA ILE 17 2.517 5.185 7.496 128 HB ILE 17 HB ILE 17 0.311 4.505 8.425 129 1HG1 ILE 17 1HG1 ILE 17 0.044 6.863 6.544 130 2HG1 ILE 17 2HG1 ILE 17 0.663 5.289 6.058 131 1HG2 ILE 17 1HG2 ILE 17 -1.250 6.139 9.218 132 2HG2 ILE 17 2HG2 ILE 17 0.202 6.263 10.216 133 3HG2 ILE 17 3HG2 ILE 17 -0.091 7.474 8.954 134 1HD1 ILE 17 1HD1 ILE 17 -1.677 5.369 5.501 135 2HD1 ILE 17 2HD1 ILE 17 -1.462 4.219 6.834 136 3HD1 ILE 17 3HD1 ILE 17 -2.121 5.842 7.146 137 H SER 18 H SER 18 2.833 7.015 6.287 138 HA SER 18 HA SER 18 3.727 9.449 7.711 139 1HB SER 18 1HB SER 18 4.845 7.985 5.653 140 2HB SER 18 2HB SER 18 3.934 9.208 4.763 141 HG SER 18 HG SER 18 5.938 9.563 6.780 142 H GLU 19 H GLU 19 3.129 11.510 6.301 143 HA GLU 19 HA GLU 19 0.159 11.474 6.015 144 1HB GLU 19 1HB GLU 19 2.097 13.833 5.891 145 2HB GLU 19 2HB GLU 19 0.359 13.917 5.615 146 1HG GLU 19 1HG GLU 19 0.333 14.524 7.766 147 2HG GLU 19 2HG GLU 19 0.238 12.786 8.034 148 H HIS 20 H HIS 20 3.132 12.181 4.296 149 HA HIS 20 HA HIS 20 1.730 12.813 1.771 150 1HB HIS 20 1HB HIS 20 4.701 12.783 2.570 151 2HB HIS 20 2HB HIS 20 4.046 13.511 1.119 152 HD1 HIS 20 1HD HIS 20 4.607 14.262 4.791 153 HD2 HIS 20 2HD HIS 20 2.216 15.659 1.599 154 HE1 HIS 20 1HE HIS 20 3.613 16.538 5.514 155 HE2 HIS 20 2HE HIS 20 2.152 17.351 3.597 156 H PHE 21 H PHE 21 2.638 11.936 -0.202 157 HA PHE 21 HA PHE 21 3.395 9.032 0.031 158 1HB PHE 21 1HB PHE 21 1.136 9.104 -0.750 159 2HB PHE 21 2HB PHE 21 1.519 10.409 -1.888 160 HD1 PHE 21 1HD PHE 21 2.699 9.982 -4.001 161 HD2 PHE 21 2HD PHE 21 1.856 6.752 -1.255 162 HE1 PHE 21 1HE PHE 21 3.299 8.323 -5.757 163 HE2 PHE 21 2HE PHE 21 2.550 5.141 -2.997 164 HZ PHE 21 HZ PHE 21 3.277 5.914 -5.226 165 H GLY 22 H GLY 22 3.448 11.917 -2.168 166 1HA GLY 22 1HA GLY 22 5.278 10.860 -3.981 167 2HA GLY 22 2HA GLY 22 5.001 12.588 -3.707 168 H ARG 23 H ARG 23 5.947 11.973 -0.810 169 HA ARG 23 HA ARG 23 8.800 11.384 -1.147 170 1HB ARG 23 1HB ARG 23 9.499 13.367 0.113 171 2HB ARG 23 2HB ARG 23 8.758 13.752 -1.416 172 1HG ARG 23 1HG ARG 23 7.673 15.323 -0.313 173 2HG ARG 23 2HG ARG 23 6.547 14.060 0.171 174 1HD ARG 23 1HD ARG 23 7.547 13.845 2.322 175 2HD ARG 23 2HD ARG 23 9.019 14.698 1.811 176 HE ARG 23 HE ARG 23 6.973 16.540 1.517 177 1HH1 ARG 23 2HH2 ARG 23 8.659 14.700 4.072 178 2HH1 ARG 23 1HH2 ARG 23 8.405 15.874 5.304 179 1HH2 ARG 23 2HH1 ARG 23 6.780 18.257 3.192 180 2HH2 ARG 23 1HH1 ARG 23 7.565 17.961 4.702 181 H ALA 24 H ALA 24 6.770 9.743 -0.182 182 HA ALA 24 HA ALA 24 6.979 9.590 2.752 183 1HB ALA 24 1HB ALA 24 6.162 7.564 0.607 184 2HB ALA 24 2HB ALA 24 6.093 7.315 2.361 185 3HB ALA 24 3HB ALA 24 5.062 8.544 1.599 186 HA PRO 25 HA PRO 25 11.156 8.095 1.762 187 1HB PRO 25 1HB PRO 25 11.958 7.172 4.234 188 2HB PRO 25 2HB PRO 25 11.907 8.876 3.724 189 1HG PRO 25 1HG PRO 25 9.821 7.377 5.309 190 2HG PRO 25 2HG PRO 25 10.521 8.982 5.662 191 1HD PRO 25 1HD PRO 25 8.122 8.642 4.421 192 2HD PRO 25 2HD PRO 25 9.229 9.968 3.939 193 H TYR 26 H TYR 26 8.601 5.982 2.954 194 HA TYR 26 HA TYR 26 9.981 3.588 1.883 195 1HB TYR 26 1HB TYR 26 8.773 3.967 4.633 196 2HB TYR 26 2HB TYR 26 9.319 2.446 4.017 197 HD1 TYR 26 1HD TYR 26 10.272 5.412 5.768 198 HD2 TYR 26 2HD TYR 26 11.770 2.043 3.587 199 HE1 TYR 26 1HE TYR 26 12.554 5.935 6.574 200 HE2 TYR 26 2HE TYR 26 14.054 2.531 4.362 201 HH TYR 26 HH TYR 26 15.445 4.162 5.400 202 H PHE 27 H PHE 27 8.436 1.814 1.493 203 HA PHE 27 HA PHE 27 5.552 2.468 1.551 204 1HB PHE 27 1HB PHE 27 7.003 1.310 -0.852 205 2HB PHE 27 2HB PHE 27 5.282 1.281 -0.646 206 HD1 PHE 27 1HD PHE 27 4.811 4.094 0.433 207 HD2 PHE 27 2HD PHE 27 7.224 2.633 -2.798 208 HE1 PHE 27 1HE PHE 27 4.455 6.196 -0.777 209 HE2 PHE 27 2HE PHE 27 6.748 4.678 -4.099 210 HZ PHE 27 HZ PHE 27 5.355 6.494 -3.080 211 H ALA 28 H ALA 28 4.933 0.979 3.019 212 HA ALA 28 HA ALA 28 5.899 -1.819 2.976 213 1HB ALA 28 1HB ALA 28 4.219 -1.974 4.866 214 2HB ALA 28 2HB ALA 28 5.559 -0.841 5.173 215 3HB ALA 28 3HB ALA 28 3.954 -0.234 4.702 216 H PHE 29 H PHE 29 5.201 -2.788 1.192 217 HA PHE 29 HA PHE 29 2.293 -2.709 0.504 218 1HB PHE 29 1HB PHE 29 4.764 -3.483 -0.981 219 2HB PHE 29 2HB PHE 29 3.329 -4.445 -1.273 220 HD1 PHE 29 1HD PHE 29 1.013 -2.796 -1.612 221 HD2 PHE 29 2HD PHE 29 5.102 -1.889 -2.696 222 HE1 PHE 29 1HE PHE 29 0.219 -1.148 -3.204 223 HE2 PHE 29 2HE PHE 29 4.235 -0.461 -4.483 224 HZ PHE 29 HZ PHE 29 1.810 0.011 -4.697 225 H VAL 30 H VAL 30 1.289 -3.905 2.007 226 HA VAL 30 HA VAL 30 2.370 -6.549 2.822 227 HB VAL 30 HB VAL 30 -0.267 -5.233 3.658 228 1HG1 VAL 30 1HG1 VAL 30 -0.005 -6.702 5.648 229 2HG1 VAL 30 2HG1 VAL 30 -0.079 -7.645 4.168 230 3HG1 VAL 30 3HG1 VAL 30 1.489 -7.372 4.955 231 1HG2 VAL 30 1HG2 VAL 30 2.543 -4.845 4.753 232 2HG2 VAL 30 2HG2 VAL 30 1.313 -3.616 4.385 233 3HG2 VAL 30 3HG2 VAL 30 1.134 -4.656 5.800 234 H LYS 31 H LYS 31 1.026 -8.470 2.333 235 HA LYS 31 HA LYS 31 -0.484 -8.097 -0.228 236 1HB LYS 31 1HB LYS 31 0.936 -10.566 0.816 237 2HB LYS 31 2HB LYS 31 0.070 -10.402 -0.723 238 1HG LYS 31 1HG LYS 31 1.722 -8.434 -1.181 239 2HG LYS 31 2HG LYS 31 2.642 -9.070 0.145 240 1HD LYS 31 1HD LYS 31 3.668 -10.112 -1.668 241 2HD LYS 31 2HD LYS 31 2.498 -11.373 -1.201 242 1HE LYS 31 1HE LYS 31 0.905 -10.443 -2.912 243 2HE LYS 31 2HE LYS 31 2.092 -9.205 -3.319 244 1HZ LYS 31 1HZ LYS 31 2.327 -12.103 -3.830 245 2HZ LYS 31 2HZ LYS 31 2.259 -10.875 -4.922 246 3HZ LYS 31 3HZ LYS 31 3.587 -11.066 -3.980 247 H VAL 32 H VAL 32 -1.939 -10.507 -0.180 248 HA VAL 32 HA VAL 32 -2.957 -10.878 2.443 249 HB VAL 32 HB VAL 32 -4.413 -9.043 1.830 250 1HG1 VAL 32 1HG1 VAL 32 -5.278 -10.636 -0.604 251 2HG1 VAL 32 2HG1 VAL 32 -5.994 -9.122 -0.019 252 3HG1 VAL 32 3HG1 VAL 32 -4.322 -9.131 -0.582 253 1HG2 VAL 32 1HG2 VAL 32 -5.481 -10.714 3.204 254 2HG2 VAL 32 2HG2 VAL 32 -6.651 -10.061 2.067 255 3HG2 VAL 32 3HG2 VAL 32 -5.954 -11.663 1.771 256 H LYS 33 H LYS 33 -3.431 -12.921 2.748 257 HA LYS 33 HA LYS 33 -3.561 -14.866 0.496 258 1HB LYS 33 1HB LYS 33 -1.766 -15.206 2.250 259 2HB LYS 33 2HB LYS 33 -2.966 -15.313 3.482 260 1HG LYS 33 1HG LYS 33 -3.258 -17.142 1.090 261 2HG LYS 33 2HG LYS 33 -1.822 -17.333 2.074 262 1HD LYS 33 1HD LYS 33 -2.961 -18.737 3.305 263 2HD LYS 33 2HD LYS 33 -3.723 -17.353 4.065 264 1HE LYS 33 1HE LYS 33 -5.700 -17.608 2.886 265 2HE LYS 33 2HE LYS 33 -4.917 -18.391 1.495 266 1HZ LYS 33 1HZ LYS 33 -6.242 -19.923 2.801 267 2HZ LYS 33 2HZ LYS 33 -4.657 -20.391 2.843 268 3HZ LYS 33 3HZ LYS 33 -5.344 -19.644 4.126 269 H ASN 34 H ASN 34 -5.778 -14.280 0.094 270 HA ASN 34 HA ASN 34 -7.982 -14.618 0.223 271 1HB ASN 34 1HB ASN 34 -7.009 -16.878 0.974 272 2HB ASN 34 2HB ASN 34 -7.509 -16.437 2.603 273 1HD2 ASN 34 1HD2 ASN 34 -9.127 -16.149 -0.667 274 2HD2 ASN 34 2HD2 ASN 34 -10.489 -17.136 -0.176 275 H ASN 35 H ASN 35 -7.337 -14.710 3.776 276 HA ASN 35 HA ASN 35 -8.346 -11.939 3.998 277 1HB ASN 35 1HB ASN 35 -10.201 -13.726 4.512 278 2HB ASN 35 2HB ASN 35 -9.196 -14.031 5.963 279 1HD2 ASN 35 1HD2 ASN 35 -11.496 -13.302 6.884 280 2HD2 ASN 35 2HD2 ASN 35 -11.557 -11.588 7.240 281 H ALA 36 H ALA 36 -5.697 -13.645 4.317 282 HA ALA 36 HA ALA 36 -5.004 -12.641 6.999 283 1HB ALA 36 1HB ALA 36 -5.074 -15.099 7.041 284 2HB ALA 36 2HB ALA 36 -4.079 -15.185 5.558 285 3HB ALA 36 3HB ALA 36 -3.380 -14.596 7.071 286 H ILE 37 H ILE 37 -2.280 -12.491 6.977 287 HA ILE 37 HA ILE 37 -2.016 -10.265 5.239 288 HB ILE 37 HB ILE 37 -0.395 -11.567 7.376 289 1HG1 ILE 37 1HG1 ILE 37 -0.157 -9.112 8.044 290 2HG1 ILE 37 2HG1 ILE 37 -1.174 -8.697 6.669 291 1HG2 ILE 37 1HG2 ILE 37 1.600 -10.148 7.025 292 2HG2 ILE 37 2HG2 ILE 37 1.428 -11.377 5.782 293 3HG2 ILE 37 3HG2 ILE 37 0.992 -9.687 5.435 294 1HD1 ILE 37 1HD1 ILE 37 -1.949 -10.491 9.005 295 2HD1 ILE 37 2HD1 ILE 37 -2.417 -8.792 8.810 296 3HD1 ILE 37 3HD1 ILE 37 -3.035 -10.004 7.674 297 H ALA 38 H ALA 38 -1.165 -13.525 4.492 298 HA ALA 38 HA ALA 38 0.118 -14.557 2.976 299 1HB ALA 38 1HB ALA 38 0.719 -13.173 0.799 300 2HB ALA 38 2HB ALA 38 -0.909 -13.771 1.018 301 3HB ALA 38 3HB ALA 38 -0.544 -12.092 1.391 302 H ASP 39 H ASP 39 1.413 -11.177 3.019 303 HA ASP 39 HA ASP 39 4.061 -12.073 3.699 304 1HB ASP 39 1HB ASP 39 3.655 -12.646 1.120 305 2HB ASP 39 2HB ASP 39 3.802 -10.888 0.930 306 H ILE 40 H ILE 40 5.570 -10.171 3.356 307 HA ILE 40 HA ILE 40 4.290 -7.550 3.931 308 HB ILE 40 HB ILE 40 6.066 -9.400 5.505 309 1HG1 ILE 40 1HG1 ILE 40 3.662 -8.979 6.045 310 2HG1 ILE 40 2HG1 ILE 40 4.799 -8.822 7.364 311 1HG2 ILE 40 1HG2 ILE 40 7.711 -7.809 5.310 312 2HG2 ILE 40 2HG2 ILE 40 6.597 -6.453 5.437 313 3HG2 ILE 40 3HG2 ILE 40 6.948 -7.504 6.858 314 1HD1 ILE 40 1HD1 ILE 40 3.674 -6.428 5.867 315 2HD1 ILE 40 2HD1 ILE 40 2.949 -7.096 7.344 316 3HD1 ILE 40 3HD1 ILE 40 4.566 -6.420 7.407 317 H SER 41 H SER 41 5.385 -5.896 2.853 318 HA SER 41 HA SER 41 8.137 -6.356 1.852 319 1HB SER 41 1HB SER 41 6.059 -6.939 0.206 320 2HB SER 41 2HB SER 41 6.095 -5.205 -0.034 321 HG SER 41 HG SER 41 8.206 -7.044 -0.603 322 H VAL 42 H VAL 42 8.320 -4.981 3.800 323 HA VAL 42 HA VAL 42 7.800 -2.126 3.519 324 HB VAL 42 HB VAL 42 7.686 -3.149 5.685 325 1HG1 VAL 42 1HG1 VAL 42 9.366 -4.989 5.464 326 2HG1 VAL 42 2HG1 VAL 42 10.653 -3.770 5.645 327 3HG1 VAL 42 3HG1 VAL 42 9.502 -4.042 6.943 328 1HG2 VAL 42 1HG2 VAL 42 9.946 -1.154 5.407 329 2HG2 VAL 42 2HG2 VAL 42 8.229 -0.840 5.705 330 3HG2 VAL 42 3HG2 VAL 42 9.201 -1.622 6.956 331 H GLU 43 H GLU 43 8.688 -1.601 1.566 332 HA GLU 43 HA GLU 43 11.619 -2.063 1.195 333 1HB GLU 43 1HB GLU 43 9.545 -1.488 -0.934 334 2HB GLU 43 2HB GLU 43 11.216 -1.924 -1.200 335 1HG GLU 43 1HG GLU 43 9.299 -3.872 0.158 336 2HG GLU 43 2HG GLU 43 9.367 -3.702 -1.567 337 H GLU 44 H GLU 44 12.773 -0.211 0.189 338 HA GLU 44 HA GLU 44 11.845 2.235 1.477 339 1HB GLU 44 1HB GLU 44 14.366 1.804 -0.180 340 2HB GLU 44 2HB GLU 44 14.000 3.117 0.961 341 1HG GLU 44 1HG GLU 44 13.737 1.225 2.711 342 2HG GLU 44 2HG GLU 44 14.562 0.205 1.595 343 H ASN 45 H ASN 45 12.063 4.372 0.178 344 HA ASN 45 HA ASN 45 10.718 4.006 -2.418 345 1HB ASN 45 1HB ASN 45 10.587 6.041 -0.433 346 2HB ASN 45 2HB ASN 45 11.180 6.787 -1.902 347 1HD2 ASN 45 1HD2 ASN 45 8.439 6.304 -0.356 348 2HD2 ASN 45 2HD2 ASN 45 7.332 5.834 -1.641 349 HA PRO 46 HA PRO 46 14.904 4.401 -4.047 350 1HB PRO 46 1HB PRO 46 14.448 3.746 -6.669 351 2HB PRO 46 2HB PRO 46 14.462 2.552 -5.348 352 1HG PRO 46 1HG PRO 46 12.053 3.898 -6.587 353 2HG PRO 46 2HG PRO 46 12.302 2.168 -6.266 354 1HD PRO 46 1HD PRO 46 10.921 3.822 -4.573 355 2HD PRO 46 2HD PRO 46 11.914 2.467 -3.952 356 H LEU 47 H LEU 47 12.271 6.429 -4.572 357 HA LEU 47 HA LEU 47 14.011 8.467 -5.902 358 1HB LEU 47 1HB LEU 47 11.149 7.670 -6.578 359 2HB LEU 47 2HB LEU 47 11.849 9.191 -7.099 360 HG LEU 47 HG LEU 47 11.713 7.889 -8.889 361 1HD1 LEU 47 1HD1 LEU 47 13.736 9.229 -8.681 362 2HD1 LEU 47 2HD1 LEU 47 14.614 7.795 -8.079 363 3HD1 LEU 47 3HD1 LEU 47 13.962 7.812 -9.729 364 1HD2 LEU 47 1HD2 LEU 47 13.310 5.597 -7.778 365 2HD2 LEU 47 2HD2 LEU 47 11.526 5.637 -7.940 366 3HD2 LEU 47 3HD2 LEU 47 12.571 5.734 -9.365 367 H ALA 48 H ALA 48 13.440 8.116 -3.028 368 HA ALA 48 HA ALA 48 11.067 9.387 -2.171 369 1HB ALA 48 1HB ALA 48 12.580 7.964 -0.707 370 2HB ALA 48 2HB ALA 48 13.756 9.283 -0.710 371 3HB ALA 48 3HB ALA 48 12.157 9.526 0.016 372 H GLN 49 H GLN 49 14.219 10.603 -3.006 373 HA GLN 49 HA GLN 49 13.377 13.424 -2.723 374 1HB GLN 49 1HB GLN 49 15.369 13.861 -1.339 375 2HB GLN 49 2HB GLN 49 14.203 12.777 -0.608 376 1HG GLN 49 1HG GLN 49 15.800 10.846 -1.519 377 2HG GLN 49 2HG GLN 49 16.979 12.153 -1.650 378 1HE2 GLN 49 1HE2 GLN 49 18.099 10.580 -0.011 379 2HE2 GLN 49 2HE2 GLN 49 17.647 10.789 1.672 380 H ASP 50 H ASP 50 13.562 12.057 -5.084 381 HA ASP 50 HA ASP 50 15.868 13.468 -6.349 382 1HB ASP 50 1HB ASP 50 16.572 11.156 -6.103 383 2HB ASP 50 2HB ASP 50 15.129 10.590 -6.971 384 H HIS 51 H HIS 51 12.959 11.524 -7.306 385 HA HIS 51 HA HIS 51 12.440 13.634 -9.385 386 1HB HIS 51 1HB HIS 51 11.489 10.783 -9.075 387 2HB HIS 51 2HB HIS 51 10.566 11.947 -10.018 388 HD1 HIS 51 1HD HIS 51 14.463 11.928 -10.247 389 HD2 HIS 51 2HD HIS 51 10.967 10.727 -12.351 390 HE1 HIS 51 1HE HIS 51 15.189 11.266 -12.563 391 HE2 HIS 51 2HE HIS 51 13.080 10.447 -13.831 392 H VAL 52 H VAL 52 10.948 12.182 -6.485 393 HA VAL 52 HA VAL 52 9.110 12.572 -5.334 394 HB VAL 52 HB VAL 52 8.932 15.433 -6.276 395 1HG1 VAL 52 1HG1 VAL 52 8.262 15.811 -3.968 396 2HG1 VAL 52 2HG1 VAL 52 7.288 14.470 -4.621 397 3HG1 VAL 52 3HG1 VAL 52 8.652 14.135 -3.551 398 1HG2 VAL 52 1HG2 VAL 52 11.022 14.304 -4.358 399 2HG2 VAL 52 2HG2 VAL 52 11.332 15.184 -5.866 400 3HG2 VAL 52 3HG2 VAL 52 10.607 16.025 -4.507 401 H HIS 53 H HIS 53 8.372 14.556 -8.273 402 HA HIS 53 HA HIS 53 6.025 12.801 -8.862 403 1HB HIS 53 1HB HIS 53 5.787 14.623 -10.754 404 2HB HIS 53 2HB HIS 53 5.116 14.845 -9.154 405 HD1 HIS 53 1HD HIS 53 5.220 17.413 -8.834 406 HD2 HIS 53 2HD HIS 53 8.763 15.766 -10.484 407 HE1 HIS 53 1HE HIS 53 6.922 19.323 -9.077 408 HE2 HIS 53 2HE HIS 53 9.000 18.333 -10.134 409 H GLY 54 H GLY 54 6.261 11.315 -10.454 410 1HA GLY 54 1HA GLY 54 6.652 11.162 -12.745 411 2HA GLY 54 2HA GLY 54 8.270 11.814 -12.577 412 H ALA 55 H ALA 55 8.665 9.770 -10.158 413 HA ALA 55 HA ALA 55 8.672 7.259 -11.756 414 1HB ALA 55 1HB ALA 55 11.091 6.888 -11.222 415 2HB ALA 55 2HB ALA 55 10.767 8.147 -12.420 416 3HB ALA 55 3HB ALA 55 11.193 8.614 -10.779 417 H VAL 56 H VAL 56 8.729 8.761 -8.582 418 HA VAL 56 HA VAL 56 9.128 6.558 -6.934 419 HB VAL 56 HB VAL 56 7.437 9.048 -6.802 420 1HG1 VAL 56 1HG1 VAL 56 6.474 8.580 -4.605 421 2HG1 VAL 56 2HG1 VAL 56 5.763 7.576 -5.866 422 3HG1 VAL 56 3HG1 VAL 56 6.981 6.890 -4.764 423 1HG2 VAL 56 1HG2 VAL 56 9.485 7.891 -4.915 424 2HG2 VAL 56 2HG2 VAL 56 9.680 9.241 -6.064 425 3HG2 VAL 56 3HG2 VAL 56 8.626 9.425 -4.671 426 HA PRO 57 HA PRO 57 4.573 5.156 -7.768 427 1HB PRO 57 1HB PRO 57 3.500 6.140 -10.203 428 2HB PRO 57 2HB PRO 57 2.959 6.599 -8.559 429 1HG PRO 57 1HG PRO 57 4.377 8.189 -10.517 430 2HG PRO 57 2HG PRO 57 3.804 8.674 -8.891 431 1HD PRO 57 1HD PRO 57 6.468 8.003 -9.813 432 2HD PRO 57 2HD PRO 57 5.986 8.676 -8.240 433 H ASN 58 H ASN 58 6.849 5.729 -10.471 434 HA ASN 58 HA ASN 58 5.788 3.622 -12.147 435 1HB ASN 58 1HB ASN 58 7.246 5.473 -13.004 436 2HB ASN 58 2HB ASN 58 8.607 4.722 -12.162 437 1HD2 ASN 58 1HD2 ASN 58 7.278 4.931 -15.275 438 2HD2 ASN 58 2HD2 ASN 58 7.862 3.375 -15.805 439 H PHE 59 H PHE 59 8.349 3.830 -9.629 440 HA PHE 59 HA PHE 59 9.255 1.150 -9.701 441 1HB PHE 59 1HB PHE 59 10.514 2.536 -8.349 442 2HB PHE 59 2HB PHE 59 9.123 3.326 -7.634 443 HD1 PHE 59 1HD PHE 59 10.556 -0.190 -7.747 444 HD2 PHE 59 2HD PHE 59 8.714 2.926 -5.387 445 HE1 PHE 59 1HE PHE 59 10.785 -1.597 -5.722 446 HE2 PHE 59 2HE PHE 59 9.080 1.545 -3.329 447 HZ PHE 59 HZ PHE 59 10.067 -0.711 -3.517 448 H VAL 60 H VAL 60 6.715 2.448 -7.461 449 HA VAL 60 HA VAL 60 5.909 -0.202 -6.659 450 HB VAL 60 HB VAL 60 3.808 1.116 -5.864 451 1HG1 VAL 60 1HG1 VAL 60 6.483 2.310 -4.991 452 2HG1 VAL 60 2HG1 VAL 60 5.036 2.069 -3.999 453 3HG1 VAL 60 3HG1 VAL 60 6.017 0.688 -4.505 454 1HG2 VAL 60 1HG2 VAL 60 3.871 3.470 -5.702 455 2HG2 VAL 60 2HG2 VAL 60 5.384 3.526 -6.621 456 3HG2 VAL 60 3HG2 VAL 60 3.862 2.969 -7.394 457 H LYS 61 H LYS 61 4.700 1.745 -9.327 458 HA LYS 61 HA LYS 61 2.672 -0.092 -9.924 459 1HB LYS 61 1HB LYS 61 3.019 2.262 -10.900 460 2HB LYS 61 2HB LYS 61 4.290 1.620 -11.903 461 1HG LYS 61 1HG LYS 61 1.734 0.133 -12.172 462 2HG LYS 61 2HG LYS 61 1.553 1.845 -12.524 463 1HD LYS 61 1HD LYS 61 3.360 1.734 -14.191 464 2HD LYS 61 2HD LYS 61 3.758 0.079 -13.699 465 1HE LYS 61 1HE LYS 61 1.324 -0.498 -14.321 466 2HE LYS 61 2HE LYS 61 1.282 1.057 -15.173 467 1HZ LYS 61 1HZ LYS 61 1.944 -0.730 -16.642 468 2HZ LYS 61 2HZ LYS 61 3.245 0.245 -16.426 469 3HZ LYS 61 3HZ LYS 61 3.125 -1.204 -15.615 470 H GLU 62 H GLU 62 6.063 -0.572 -10.295 471 HA GLU 62 HA GLU 62 5.658 -2.811 -12.071 472 1HB GLU 62 1HB GLU 62 7.808 -2.786 -12.205 473 2HB GLU 62 2HB GLU 62 7.814 -1.326 -11.279 474 1HG GLU 62 1HG GLU 62 9.289 -2.393 -10.025 475 2HG GLU 62 2HG GLU 62 7.934 -3.154 -9.236 476 H LYS 63 H LYS 63 5.262 -2.359 -8.435 477 HA LYS 63 HA LYS 63 5.713 -5.040 -8.069 478 1HB LYS 63 1HB LYS 63 5.123 -2.815 -6.233 479 2HB LYS 63 2HB LYS 63 5.100 -4.503 -5.685 480 1HG LYS 63 1HG LYS 63 7.238 -4.427 -5.568 481 2HG LYS 63 2HG LYS 63 7.443 -4.422 -7.265 482 1HD LYS 63 1HD LYS 63 8.698 -2.588 -6.461 483 2HD LYS 63 2HD LYS 63 7.152 -2.054 -7.209 484 1HE LYS 63 1HE LYS 63 7.739 -0.829 -5.023 485 2HE LYS 63 2HE LYS 63 6.222 -1.736 -4.881 486 1HZ LYS 63 1HZ LYS 63 8.825 -2.793 -3.934 487 2HZ LYS 63 2HZ LYS 63 7.710 -2.078 -2.940 488 3HZ LYS 63 3HZ LYS 63 7.377 -3.463 -3.705 489 H GLY 64 H GLY 64 3.443 -4.555 -9.718 490 1HA GLY 64 1HA GLY 64 1.207 -5.144 -10.139 491 2HA GLY 64 2HA GLY 64 1.683 -6.579 -9.234 492 H ALA 65 H ALA 65 1.054 -3.257 -7.940 493 HA ALA 65 HA ALA 65 -0.440 -4.264 -5.757 494 1HB ALA 65 1HB ALA 65 0.437 -2.274 -5.221 495 2HB ALA 65 2HB ALA 65 0.226 -1.539 -6.839 496 3HB ALA 65 3HB ALA 65 -1.126 -1.650 -5.693 497 H GLU 66 H GLU 66 -2.562 -3.381 -5.127 498 HA GLU 66 HA GLU 66 -4.592 -3.091 -7.248 499 1HB GLU 66 1HB GLU 66 -4.489 -5.259 -5.153 500 2HB GLU 66 2HB GLU 66 -6.047 -4.637 -5.652 501 1HG GLU 66 1HG GLU 66 -5.984 -5.549 -7.722 502 2HG GLU 66 2HG GLU 66 -4.247 -5.360 -7.908 503 H LEU 67 H LEU 67 -3.462 -2.608 -3.830 504 HA LEU 67 HA LEU 67 -5.554 -0.586 -3.521 505 1HB LEU 67 1HB LEU 67 -6.071 -2.977 -2.492 506 2HB LEU 67 2HB LEU 67 -4.778 -2.608 -1.366 507 HG LEU 67 HG LEU 67 -6.095 -0.441 -0.832 508 1HD1 LEU 67 1HD1 LEU 67 -7.663 -0.612 -2.805 509 2HD1 LEU 67 2HD1 LEU 67 -8.307 -2.124 -2.139 510 3HD1 LEU 67 3HD1 LEU 67 -8.559 -0.611 -1.267 511 1HD2 LEU 67 1HD2 LEU 67 -5.943 -2.059 0.822 512 2HD2 LEU 67 2HD2 LEU 67 -7.648 -1.684 0.689 513 3HD2 LEU 67 3HD2 LEU 67 -7.024 -3.185 -0.047 514 H VAL 68 H VAL 68 -4.970 1.139 -2.023 515 HA VAL 68 HA VAL 68 -2.273 1.088 -0.809 516 HB VAL 68 HB VAL 68 -3.259 3.385 -2.529 517 1HG1 VAL 68 1HG1 VAL 68 -1.236 4.420 -2.232 518 2HG1 VAL 68 2HG1 VAL 68 -1.308 3.545 -0.691 519 3HG1 VAL 68 3HG1 VAL 68 -0.347 2.904 -2.042 520 1HG2 VAL 68 1HG2 VAL 68 -1.794 2.805 -4.309 521 2HG2 VAL 68 2HG2 VAL 68 -1.288 1.299 -3.489 522 3HG2 VAL 68 3HG2 VAL 68 -2.958 1.535 -4.023 523 H ILE 69 H ILE 69 -2.502 1.890 1.259 524 HA ILE 69 HA ILE 69 -4.946 3.447 1.903 525 HB ILE 69 HB ILE 69 -3.324 1.494 3.575 526 1HG1 ILE 69 1HG1 ILE 69 -6.218 1.246 2.631 527 2HG1 ILE 69 2HG1 ILE 69 -4.863 0.444 1.839 528 1HG2 ILE 69 1HG2 ILE 69 -5.237 1.904 5.192 529 2HG2 ILE 69 2HG2 ILE 69 -4.105 3.229 5.035 530 3HG2 ILE 69 3HG2 ILE 69 -5.700 3.289 4.218 531 1HD1 ILE 69 1HD1 ILE 69 -5.872 -0.083 4.652 532 2HD1 ILE 69 2HD1 ILE 69 -5.829 -1.177 3.268 533 3HD1 ILE 69 3HD1 ILE 69 -4.317 -0.671 4.056 534 H VAL 70 H VAL 70 -4.417 5.508 2.103 535 HA VAL 70 HA VAL 70 -1.761 6.278 3.218 536 HB VAL 70 HB VAL 70 -1.480 7.913 1.516 537 1HG1 VAL 70 1HG1 VAL 70 -1.197 6.613 -0.471 538 2HG1 VAL 70 2HG1 VAL 70 -1.002 5.486 0.877 539 3HG1 VAL 70 3HG1 VAL 70 -2.512 5.509 -0.031 540 1HG2 VAL 70 1HG2 VAL 70 -3.069 8.232 -0.370 541 2HG2 VAL 70 2HG2 VAL 70 -4.228 7.193 0.437 542 3HG2 VAL 70 3HG2 VAL 70 -3.769 8.741 1.177 543 H ARG 71 H ARG 71 -1.894 8.897 3.477 544 HA ARG 71 HA ARG 71 -4.478 9.529 4.856 545 1HB ARG 71 1HB ARG 71 -1.741 10.654 5.535 546 2HB ARG 71 2HB ARG 71 -3.294 11.069 6.279 547 1HG ARG 71 1HG ARG 71 -3.459 8.555 6.875 548 2HG ARG 71 2HG ARG 71 -1.778 8.439 6.437 549 1HD ARG 71 1HD ARG 71 -1.707 8.783 8.710 550 2HD ARG 71 2HD ARG 71 -1.308 10.369 8.090 551 HE ARG 71 HE ARG 71 -4.143 9.766 8.649 552 1HH1 ARG 71 2HH2 ARG 71 -1.144 10.878 10.243 553 2HH1 ARG 71 1HH2 ARG 71 -1.986 11.561 11.580 554 1HH2 ARG 71 2HH1 ARG 71 -5.235 10.746 10.410 555 2HH2 ARG 71 1HH1 ARG 71 -4.273 11.276 11.761 556 H GLY 72 H GLY 72 -1.861 11.702 3.954 557 1HA GLY 72 1HA GLY 72 -3.769 13.565 2.937 558 2HA GLY 72 2HA GLY 72 -2.020 13.785 3.043 559 H ILE 73 H ILE 73 -0.993 11.994 1.363 560 HA ILE 73 HA ILE 73 -0.215 12.021 -0.730 561 HB ILE 73 HB ILE 73 -1.740 10.112 -0.534 562 1HG1 ILE 73 1HG1 ILE 73 -2.005 10.759 -3.453 563 2HG1 ILE 73 2HG1 ILE 73 -0.396 10.699 -2.749 564 1HG2 ILE 73 1HG2 ILE 73 -3.906 9.978 -1.759 565 2HG2 ILE 73 2HG2 ILE 73 -3.955 11.157 -0.444 566 3HG2 ILE 73 3HG2 ILE 73 -3.815 11.694 -2.123 567 1HD1 ILE 73 1HD1 ILE 73 -1.025 8.531 -3.714 568 2HD1 ILE 73 2HD1 ILE 73 -0.840 8.380 -1.957 569 3HD1 ILE 73 3HD1 ILE 73 -2.459 8.455 -2.683 570 H GLY 74 H GLY 74 -1.965 12.452 -3.284 571 1HA GLY 74 1HA GLY 74 -2.854 15.087 -3.442 572 2HA GLY 74 2HA GLY 74 -1.189 15.029 -4.033 573 H ARG 75 H ARG 75 -3.602 15.531 -5.641 574 HA ARG 75 HA ARG 75 -4.650 13.296 -6.932 575 1HB ARG 75 1HB ARG 75 -5.632 15.471 -7.233 576 2HB ARG 75 2HB ARG 75 -4.160 16.117 -7.946 577 1HG ARG 75 1HG ARG 75 -5.856 15.798 -9.630 578 2HG ARG 75 2HG ARG 75 -4.443 14.823 -9.964 579 1HD ARG 75 1HD ARG 75 -5.677 12.968 -10.084 580 2HD ARG 75 2HD ARG 75 -6.239 13.158 -8.456 581 HE ARG 75 HE ARG 75 -8.207 14.231 -9.180 582 1HH1 ARG 75 2HH2 ARG 75 -6.307 13.053 -11.867 583 2HH1 ARG 75 1HH2 ARG 75 -7.302 13.635 -13.114 584 1HH2 ARG 75 2HH1 ARG 75 -9.756 14.664 -10.729 585 2HH2 ARG 75 1HH1 ARG 75 -9.472 14.420 -12.427 586 H ARG 76 H ARG 76 -1.680 15.061 -7.744 587 HA ARG 76 HA ARG 76 -0.927 13.682 -10.054 588 1HB ARG 76 1HB ARG 76 1.362 14.306 -9.548 589 2HB ARG 76 2HB ARG 76 0.244 15.625 -9.184 590 1HG ARG 76 1HG ARG 76 0.298 14.968 -6.759 591 2HG ARG 76 2HG ARG 76 1.499 13.710 -7.155 592 1HD ARG 76 1HD ARG 76 3.098 15.327 -7.835 593 2HD ARG 76 2HD ARG 76 1.877 16.569 -8.023 594 HE ARG 76 HE ARG 76 3.282 15.823 -5.594 595 1HH1 ARG 76 2HH2 ARG 76 0.656 17.830 -6.920 596 2HH1 ARG 76 1HH2 ARG 76 0.315 18.599 -5.435 597 1HH2 ARG 76 2HH1 ARG 76 2.847 16.854 -3.637 598 2HH2 ARG 76 1HH1 ARG 76 1.479 17.931 -3.452 599 H ALA 77 H ALA 77 -1.074 12.308 -6.845 600 HA ALA 77 HA ALA 77 0.581 10.003 -7.758 601 1HB ALA 77 1HB ALA 77 0.392 9.360 -5.320 602 2HB ALA 77 2HB ALA 77 1.380 10.767 -5.722 603 3HB ALA 77 3HB ALA 77 -0.251 10.994 -5.033 604 H ILE 78 H ILE 78 -2.775 10.978 -6.766 605 HA ILE 78 HA ILE 78 -3.933 8.412 -6.860 606 HB ILE 78 HB ILE 78 -5.046 11.070 -7.827 607 1HG1 ILE 78 1HG1 ILE 78 -4.460 11.286 -5.504 608 2HG1 ILE 78 2HG1 ILE 78 -6.200 11.122 -5.628 609 1HG2 ILE 78 1HG2 ILE 78 -6.396 9.343 -8.770 610 2HG2 ILE 78 2HG2 ILE 78 -6.483 8.456 -7.233 611 3HG2 ILE 78 3HG2 ILE 78 -7.279 10.037 -7.426 612 1HD1 ILE 78 1HD1 ILE 78 -5.323 9.874 -3.740 613 2HD1 ILE 78 2HD1 ILE 78 -6.062 8.764 -4.908 614 3HD1 ILE 78 3HD1 ILE 78 -4.287 8.908 -4.782 615 H ALA 79 H ALA 79 -3.106 10.755 -9.510 616 HA ALA 79 HA ALA 79 -4.096 9.337 -11.661 617 1HB ALA 79 1HB ALA 79 -3.232 11.667 -11.717 618 2HB ALA 79 2HB ALA 79 -1.584 11.051 -11.489 619 3HB ALA 79 3HB ALA 79 -2.468 10.676 -12.979 620 H ALA 80 H ALA 80 -1.074 8.442 -9.876 621 HA ALA 80 HA ALA 80 -0.049 6.891 -12.086 622 1HB ALA 80 1HB ALA 80 0.513 6.930 -9.105 623 2HB ALA 80 2HB ALA 80 1.382 5.965 -10.300 624 3HB ALA 80 3HB ALA 80 1.454 7.757 -10.371 625 H PHE 81 H PHE 81 -1.780 6.055 -8.909 626 HA PHE 81 HA PHE 81 -2.022 3.353 -9.364 627 1HB PHE 81 1HB PHE 81 -3.532 5.438 -7.746 628 2HB PHE 81 2HB PHE 81 -3.710 3.711 -7.525 629 HD1 PHE 81 1HD PHE 81 -2.274 6.348 -5.926 630 HD2 PHE 81 2HD PHE 81 -1.116 2.509 -7.537 631 HE1 PHE 81 1HE PHE 81 -0.396 6.201 -4.306 632 HE2 PHE 81 2HE PHE 81 0.803 2.440 -6.013 633 HZ PHE 81 HZ PHE 81 1.148 4.245 -4.371 634 H GLU 82 H GLU 82 -4.036 6.138 -10.326 635 HA GLU 82 HA GLU 82 -6.131 4.616 -11.529 636 1HB GLU 82 1HB GLU 82 -5.045 7.404 -12.001 637 2HB GLU 82 2HB GLU 82 -6.401 6.759 -12.890 638 1HG GLU 82 1HG GLU 82 -7.304 6.133 -10.437 639 2HG GLU 82 2HG GLU 82 -6.205 7.385 -9.943 640 H ALA 83 H ALA 83 -2.775 4.786 -12.603 641 HA ALA 83 HA ALA 83 -3.527 4.288 -15.386 642 1HB ALA 83 1HB ALA 83 -1.160 4.302 -15.750 643 2HB ALA 83 2HB ALA 83 -1.451 5.595 -14.579 644 3HB ALA 83 3HB ALA 83 -0.817 4.014 -14.051 645 H MET 84 H MET 84 -3.255 2.525 -12.467 646 HA MET 84 HA MET 84 -2.739 -0.075 -13.814 647 1HB MET 84 1HB MET 84 -1.623 -0.636 -11.516 648 2HB MET 84 2HB MET 84 -0.731 0.249 -12.751 649 1HG MET 84 1HG MET 84 -1.048 2.313 -11.626 650 2HG MET 84 2HG MET 84 -2.163 1.580 -10.465 651 1HE MET 84 1HE MET 84 1.671 2.746 -9.066 652 2HE MET 84 2HE MET 84 1.036 3.221 -10.658 653 3HE MET 84 3HE MET 84 0.055 3.443 -9.213 654 H GLY 85 H GLY 85 -5.221 1.564 -12.784 655 1HA GLY 85 1HA GLY 85 -7.281 1.028 -11.915 656 2HA GLY 85 2HA GLY 85 -6.817 -0.670 -12.057 657 H VAL 86 H VAL 86 -4.743 1.305 -10.097 658 HA VAL 86 HA VAL 86 -5.331 -0.430 -7.844 659 HB VAL 86 HB VAL 86 -3.235 1.765 -8.403 660 1HG1 VAL 86 1HG1 VAL 86 -3.692 1.844 -6.031 661 2HG1 VAL 86 2HG1 VAL 86 -3.715 0.074 -5.892 662 3HG1 VAL 86 3HG1 VAL 86 -2.197 0.912 -6.252 663 1HG2 VAL 86 1HG2 VAL 86 -2.918 -0.459 -9.520 664 2HG2 VAL 86 2HG2 VAL 86 -1.721 -0.237 -8.244 665 3HG2 VAL 86 3HG2 VAL 86 -3.134 -1.273 -7.964 666 H LYS 87 H LYS 87 -6.963 -0.041 -6.462 667 HA LYS 87 HA LYS 87 -8.194 2.602 -6.332 668 1HB LYS 87 1HB LYS 87 -9.620 0.725 -6.073 669 2HB LYS 87 2HB LYS 87 -8.585 -0.013 -4.839 670 1HG LYS 87 1HG LYS 87 -9.217 1.577 -3.194 671 2HG LYS 87 2HG LYS 87 -9.809 2.698 -4.416 672 1HD LYS 87 1HD LYS 87 -11.508 1.592 -2.930 673 2HD LYS 87 2HD LYS 87 -11.848 1.603 -4.639 674 1HE LYS 87 1HE LYS 87 -10.459 -0.826 -3.485 675 2HE LYS 87 2HE LYS 87 -12.152 -0.550 -3.068 676 1HZ LYS 87 1HZ LYS 87 -12.155 -1.884 -4.921 677 2HZ LYS 87 2HZ LYS 87 -12.648 -0.411 -5.438 678 3HZ LYS 87 3HZ LYS 87 -11.117 -0.963 -5.795 679 H VAL 88 H VAL 88 -8.099 4.084 -4.589 680 HA VAL 88 HA VAL 88 -5.837 3.687 -2.703 681 HB VAL 88 HB VAL 88 -6.435 6.304 -4.138 682 1HG1 VAL 88 1HG1 VAL 88 -5.334 6.579 -1.973 683 2HG1 VAL 88 2HG1 VAL 88 -4.068 5.435 -2.437 684 3HG1 VAL 88 3HG1 VAL 88 -4.226 6.981 -3.293 685 1HG2 VAL 88 1HG2 VAL 88 -5.665 4.800 -5.865 686 2HG2 VAL 88 2HG2 VAL 88 -4.427 5.972 -5.472 687 3HG2 VAL 88 3HG2 VAL 88 -4.284 4.296 -4.862 688 H ILE 89 H ILE 89 -6.729 3.559 -0.811 689 HA ILE 89 HA ILE 89 -9.044 5.088 0.164 690 HB ILE 89 HB ILE 89 -7.138 2.950 1.192 691 1HG1 ILE 89 1HG1 ILE 89 -10.161 2.767 1.162 692 2HG1 ILE 89 2HG1 ILE 89 -9.260 2.513 -0.322 693 1HG2 ILE 89 1HG2 ILE 89 -9.206 4.406 2.873 694 2HG2 ILE 89 2HG2 ILE 89 -8.447 2.869 3.335 695 3HG2 ILE 89 3HG2 ILE 89 -7.472 4.327 3.150 696 1HD1 ILE 89 1HD1 ILE 89 -8.911 0.915 2.239 697 2HD1 ILE 89 2HD1 ILE 89 -9.650 0.384 0.715 698 3HD1 ILE 89 3HD1 ILE 89 -7.919 0.747 0.767 699 H LYS 90 H LYS 90 -8.757 7.025 1.188 700 HA LYS 90 HA LYS 90 -6.047 7.751 2.213 701 1HB LYS 90 1HB LYS 90 -8.346 9.449 1.232 702 2HB LYS 90 2HB LYS 90 -6.927 10.120 2.004 703 1HG LYS 90 1HG LYS 90 -5.657 9.981 0.175 704 2HG LYS 90 2HG LYS 90 -6.142 8.346 -0.217 705 1HD LYS 90 1HD LYS 90 -7.689 10.844 -0.963 706 2HD LYS 90 2HD LYS 90 -6.663 9.879 -2.039 707 1HE LYS 90 1HE LYS 90 -8.191 7.856 -1.403 708 2HE LYS 90 2HE LYS 90 -9.171 9.078 -0.619 709 1HZ LYS 90 1HZ LYS 90 -9.562 10.149 -2.691 710 2HZ LYS 90 2HZ LYS 90 -8.733 8.917 -3.511 711 3HZ LYS 90 3HZ LYS 90 -10.092 8.616 -2.673 712 H GLY 91 H GLY 91 -6.474 9.455 4.102 713 1HA GLY 91 1HA GLY 91 -7.594 10.094 6.010 714 2HA GLY 91 2HA GLY 91 -8.956 9.087 5.506 715 H ALA 92 H ALA 92 -6.092 7.215 5.677 716 HA ALA 92 HA ALA 92 -6.993 5.802 8.055 717 1HB ALA 92 1HB ALA 92 -5.920 4.707 6.108 718 2HB ALA 92 2HB ALA 92 -4.417 5.593 6.427 719 3HB ALA 92 3HB ALA 92 -5.023 4.401 7.601 720 H SER 93 H SER 93 -5.033 5.285 9.689 721 HA SER 93 HA SER 93 -2.915 7.181 10.012 722 1HB SER 93 1HB SER 93 -4.703 8.408 11.121 723 2HB SER 93 2HB SER 93 -5.089 6.993 12.129 724 HG SER 93 HG SER 93 -3.535 7.487 13.413 725 H GLY 94 H GLY 94 -1.489 6.252 11.840 726 1HA GLY 94 1HA GLY 94 -1.202 4.677 13.603 727 2HA GLY 94 2HA GLY 94 -2.365 3.599 12.848 728 H THR 95 H THR 95 -0.583 1.975 13.358 729 HA THR 95 HA THR 95 1.755 2.156 11.639 730 HB THR 95 HB THR 95 2.327 -0.037 12.739 731 HG1 THR 95 1HG THR 95 1.013 -0.727 14.431 732 1HG2 THR 95 1HG2 THR 95 2.966 2.222 13.718 733 2HG2 THR 95 2HG2 THR 95 1.586 2.056 14.812 734 3HG2 THR 95 3HG2 THR 95 2.898 0.871 14.868 735 H VAL 96 H VAL 96 2.372 0.346 10.239 736 HA VAL 96 HA VAL 96 0.554 -0.197 8.244 737 HB VAL 96 HB VAL 96 3.126 -1.507 9.182 738 1HG1 VAL 96 1HG1 VAL 96 1.630 -2.447 6.709 739 2HG1 VAL 96 2HG1 VAL 96 3.317 -2.826 7.126 740 3HG1 VAL 96 3HG1 VAL 96 2.004 -3.424 8.139 741 1HG2 VAL 96 1HG2 VAL 96 4.022 -0.461 7.217 742 2HG2 VAL 96 2HG2 VAL 96 2.394 -0.080 6.613 743 3HG2 VAL 96 3HG2 VAL 96 3.003 0.732 8.058 744 H GLU 97 H GLU 97 1.436 -2.396 10.947 745 HA GLU 97 HA GLU 97 -0.227 -4.477 10.011 746 1HB GLU 97 1HB GLU 97 0.142 -5.583 12.036 747 2HB GLU 97 2HB GLU 97 1.629 -4.817 11.522 748 1HG GLU 97 1HG GLU 97 1.563 -3.216 13.211 749 2HG GLU 97 2HG GLU 97 -0.157 -3.343 13.506 750 H GLU 98 H GLU 98 -1.082 -1.612 11.700 751 HA GLU 98 HA GLU 98 -3.570 -2.613 12.915 752 1HB GLU 98 1HB GLU 98 -1.962 -0.977 14.022 753 2HB GLU 98 2HB GLU 98 -2.414 0.195 12.786 754 1HG GLU 98 1HG GLU 98 -4.834 -0.089 13.609 755 2HG GLU 98 2HG GLU 98 -4.184 -1.061 14.929 756 H VAL 99 H VAL 99 -2.502 -0.138 10.478 757 HA VAL 99 HA VAL 99 -4.951 0.602 9.424 758 HB VAL 99 HB VAL 99 -2.142 0.319 8.277 759 1HG1 VAL 99 1HG1 VAL 99 -2.812 1.920 6.521 760 2HG1 VAL 99 2HG1 VAL 99 -3.680 0.387 6.363 761 3HG1 VAL 99 3HG1 VAL 99 -4.490 1.784 7.116 762 1HG2 VAL 99 1HG2 VAL 99 -1.931 2.684 8.639 763 2HG2 VAL 99 2HG2 VAL 99 -3.664 2.848 8.979 764 3HG2 VAL 99 3HG2 VAL 99 -2.596 2.041 10.148 765 H VAL 100 H VAL 100 -2.839 -2.128 8.455 766 HA VAL 100 HA VAL 100 -4.410 -3.090 6.280 767 HB VAL 100 HB VAL 100 -2.444 -4.392 8.210 768 1HG1 VAL 100 1HG1 VAL 100 -3.864 -6.240 7.436 769 2HG1 VAL 100 2HG1 VAL 100 -3.639 -5.716 5.743 770 3HG1 VAL 100 3HG1 VAL 100 -2.271 -6.321 6.693 771 1HG2 VAL 100 1HG2 VAL 100 -1.570 -2.739 6.573 772 2HG2 VAL 100 2HG2 VAL 100 -0.972 -4.358 6.257 773 3HG2 VAL 100 3HG2 VAL 100 -2.260 -3.676 5.240 774 H ASN 101 H ASN 101 -4.492 -3.924 9.800 775 HA ASN 101 HA ASN 101 -6.606 -5.853 9.475 776 1HB ASN 101 1HB ASN 101 -5.042 -5.810 11.423 777 2HB ASN 101 2HB ASN 101 -5.668 -4.235 11.910 778 1HD2 ASN 101 1HD2 ASN 101 -6.424 -7.709 11.746 779 2HD2 ASN 101 2HD2 ASN 101 -7.699 -7.597 12.935 780 H GLN 102 H GLN 102 -6.618 -2.304 10.218 781 HA GLN 102 HA GLN 102 -9.388 -2.096 10.737 782 1HB GLN 102 1HB GLN 102 -7.683 0.010 9.325 783 2HB GLN 102 2HB GLN 102 -9.243 0.235 10.113 784 1HG GLN 102 1HG GLN 102 -7.799 -0.804 12.183 785 2HG GLN 102 2HG GLN 102 -6.522 0.020 11.295 786 1HE2 GLN 102 1HE2 GLN 102 -7.841 0.589 13.958 787 2HE2 GLN 102 2HE2 GLN 102 -8.347 2.267 13.852 788 H TYR 103 H TYR 103 -7.660 -1.829 7.581 789 HA TYR 103 HA TYR 103 -9.993 -1.574 5.956 790 1HB TYR 103 1HB TYR 103 -7.925 -1.045 5.054 791 2HB TYR 103 2HB TYR 103 -7.196 -2.595 5.432 792 HD1 TYR 103 1HD TYR 103 -10.079 -1.184 3.425 793 HD2 TYR 103 2HD TYR 103 -7.034 -4.222 3.744 794 HE1 TYR 103 1HE TYR 103 -10.830 -2.154 1.284 795 HE2 TYR 103 2HE TYR 103 -7.804 -5.243 1.662 796 HH TYR 103 HH TYR 103 -9.123 -4.952 -0.191 797 H LEU 104 H LEU 104 -8.125 -4.606 6.721 798 HA LEU 104 HA LEU 104 -9.819 -6.326 5.341 799 1HB LEU 104 1HB LEU 104 -7.934 -6.633 7.709 800 2HB LEU 104 2HB LEU 104 -9.022 -7.950 7.294 801 HG LEU 104 HG LEU 104 -8.184 -7.758 4.926 802 1HD1 LEU 104 1HD1 LEU 104 -6.952 -5.629 5.186 803 2HD1 LEU 104 2HD1 LEU 104 -5.770 -6.477 6.167 804 3HD1 LEU 104 3HD1 LEU 104 -5.992 -6.928 4.460 805 1HD2 LEU 104 1HD2 LEU 104 -7.555 -9.634 6.451 806 2HD2 LEU 104 2HD2 LEU 104 -6.202 -9.211 5.388 807 3HD2 LEU 104 3HD2 LEU 104 -6.215 -8.642 7.070 808 H SER 105 H SER 105 -10.217 -4.807 8.488 809 HA SER 105 HA SER 105 -12.422 -6.483 9.374 810 1HB SER 105 1HB SER 105 -11.422 -3.751 10.275 811 2HB SER 105 2HB SER 105 -12.670 -4.705 11.070 812 HG SER 105 HG SER 105 -9.955 -5.375 10.675 813 H GLY 106 H GLY 106 -12.187 -3.726 7.213 814 1HA GLY 106 1HA GLY 106 -13.927 -2.884 5.933 815 2HA GLY 106 2HA GLY 106 -15.118 -3.501 7.070 816 H GLN 107 H GLN 107 -12.531 -1.828 8.716 817 HA GLN 107 HA GLN 107 -14.419 0.312 9.409 818 1HB GLN 107 1HB GLN 107 -11.531 -0.219 10.264 819 2HB GLN 107 2HB GLN 107 -12.611 0.972 10.985 820 1HG GLN 107 1HG GLN 107 -13.001 -2.040 10.935 821 2HG GLN 107 2HG GLN 107 -12.535 -1.088 12.332 822 1HE2 GLN 107 1HE2 GLN 107 -15.024 -2.814 11.743 823 2HE2 GLN 107 2HE2 GLN 107 -16.406 -1.722 11.687 824 H LEU 108 H LEU 108 -11.832 -0.173 7.247 825 HA LEU 108 HA LEU 108 -11.503 2.763 6.746 826 1HB LEU 108 1HB LEU 108 -9.731 0.469 6.705 827 2HB LEU 108 2HB LEU 108 -9.782 1.167 5.098 828 HG LEU 108 HG LEU 108 -9.047 3.308 5.936 829 1HD1 LEU 108 1HD1 LEU 108 -9.155 2.106 8.741 830 2HD1 LEU 108 2HD1 LEU 108 -8.370 3.633 8.315 831 3HD1 LEU 108 3HD1 LEU 108 -10.112 3.479 8.161 832 1HD2 LEU 108 1HD2 LEU 108 -6.828 2.625 6.759 833 2HD2 LEU 108 2HD2 LEU 108 -7.446 1.013 7.142 834 3HD2 LEU 108 3HD2 LEU 108 -7.404 1.557 5.457 835 H LYS 109 H LYS 109 -11.878 3.662 4.706 836 HA LYS 109 HA LYS 109 -12.994 1.987 2.602 837 1HB LYS 109 1HB LYS 109 -14.972 3.422 2.303 838 2HB LYS 109 2HB LYS 109 -15.033 2.537 3.806 839 1HG LYS 109 1HG LYS 109 -13.907 5.320 3.959 840 2HG LYS 109 2HG LYS 109 -15.613 5.162 3.578 841 1HD LYS 109 1HD LYS 109 -16.117 4.011 5.581 842 2HD LYS 109 2HD LYS 109 -14.407 3.720 5.966 843 1HE LYS 109 1HE LYS 109 -13.987 6.051 6.351 844 2HE LYS 109 2HE LYS 109 -15.567 6.511 5.691 845 1HZ LYS 109 1HZ LYS 109 -16.628 5.426 7.549 846 2HZ LYS 109 2HZ LYS 109 -15.215 4.908 8.165 847 3HZ LYS 109 3HZ LYS 109 -15.558 6.506 8.134 848 H ASP 110 H ASP 110 -13.408 3.425 0.686 849 HA ASP 110 HA ASP 110 -11.269 5.455 0.496 850 1HB ASP 110 1HB ASP 110 -10.807 4.976 -1.561 851 2HB ASP 110 2HB ASP 110 -11.445 3.401 -1.162 852 H SER 111 H SER 111 -12.340 6.919 1.638 853 HA SER 111 HA SER 111 -14.387 8.491 0.133 854 1HB SER 111 1HB SER 111 -14.335 7.695 3.056 855 2HB SER 111 2HB SER 111 -15.303 9.075 2.436 856 HG SER 111 HG SER 111 -15.401 6.479 1.298 857 H ASP 112 H ASP 112 -12.699 9.771 -0.683 858 HA ASP 112 HA ASP 112 -12.383 12.082 0.736 859 1HB ASP 112 1HB ASP 112 -10.398 11.000 1.853 860 2HB ASP 112 2HB ASP 112 -9.697 10.743 0.267 861 H TYR 113 H TYR 113 -13.325 12.931 -1.055 862 HA TYR 113 HA TYR 113 -11.333 13.999 -2.743 863 1HB TYR 113 1HB TYR 113 -12.741 11.756 -3.877 864 2HB TYR 113 2HB TYR 113 -13.327 13.201 -4.690 865 HD1 TYR 113 1HD TYR 113 -11.641 14.853 -5.695 866 HD2 TYR 113 2HD TYR 113 -10.557 10.820 -4.539 867 HE1 TYR 113 1HE TYR 113 -9.415 15.154 -6.663 868 HE2 TYR 113 2HE TYR 113 -8.357 11.125 -5.536 869 HH TYR 113 HH TYR 113 -7.141 14.178 -5.880 870 H GLU 114 H GLU 114 -12.548 15.671 -4.299 871 HA GLU 114 HA GLU 114 -15.238 16.314 -3.356 872 1HB GLU 114 1HB GLU 114 -14.832 18.696 -3.829 873 2HB GLU 114 2HB GLU 114 -14.052 18.098 -2.363 874 1HG GLU 114 1HG GLU 114 -11.874 18.157 -3.354 875 2HG GLU 114 2HG GLU 114 -12.534 18.329 -4.984 876 H VAL 115 H VAL 115 -16.629 16.461 -5.117 877 HA VAL 115 HA VAL 115 -15.533 15.828 -7.735 878 HB VAL 115 HB VAL 115 -18.007 16.055 -8.362 879 1HG1 VAL 115 1HG1 VAL 115 -18.385 13.745 -7.644 880 2HG1 VAL 115 2HG1 VAL 115 -16.709 13.949 -8.150 881 3HG1 VAL 115 3HG1 VAL 115 -17.109 13.890 -6.425 882 1HG2 VAL 115 1HG2 VAL 115 -19.660 15.709 -6.638 883 2HG2 VAL 115 2HG2 VAL 115 -18.441 15.736 -5.357 884 3HG2 VAL 115 3HG2 VAL 115 -18.808 17.211 -6.282 885 H HIS 116 H HIS 116 -14.158 17.559 -7.906 886 HA HIS 116 HA HIS 116 -15.413 19.574 -9.560 887 1HB HIS 116 1HB HIS 116 -14.080 20.240 -6.973 888 2HB HIS 116 2HB HIS 116 -13.387 21.094 -8.323 889 HD1 HIS 116 1HD HIS 116 -14.843 22.794 -6.194 890 HD2 HIS 116 2HD HIS 116 -16.717 21.150 -9.634 891 HE1 HIS 116 1HE HIS 116 -16.956 24.200 -6.705 892 HE2 HIS 116 2HE HIS 116 -18.114 23.077 -8.717 893 H ASP 117 H ASP 117 -13.645 20.839 -10.657 894 HA ASP 117 HA ASP 117 -12.100 20.926 -12.230 895 1HB ASP 117 1HB ASP 117 -10.520 20.531 -10.347 896 2HB ASP 117 2HB ASP 117 -10.559 18.793 -10.700 897 H HIS 118 H HIS 118 -10.919 19.517 -14.022 898 HA HIS 118 HA HIS 118 -11.671 16.774 -14.166 899 1HB HIS 118 1HB HIS 118 -13.735 17.789 -15.113 900 2HB HIS 118 2HB HIS 118 -12.780 18.504 -16.403 901 HD1 HIS 118 1HD HIS 118 -14.563 16.997 -17.925 902 HD2 HIS 118 2HD HIS 118 -11.702 14.909 -15.590 903 HE1 HIS 118 1HE HIS 118 -14.403 14.603 -18.870 904 HE2 HIS 118 2HE HIS 118 -12.640 13.357 -17.450 905 H HIS 119 H HIS 119 -9.236 17.790 -13.854 906 HA HIS 119 HA HIS 119 -7.600 18.610 -15.697 907 1HB HIS 119 1HB HIS 119 -7.254 17.338 -13.300 908 2HB HIS 119 2HB HIS 119 -6.605 16.099 -14.358 909 HD1 HIS 119 1HD HIS 119 -3.961 16.443 -14.475 910 HD2 HIS 119 2HD HIS 119 -6.247 19.995 -14.006 911 HE1 HIS 119 1HE HIS 119 -2.311 18.379 -14.319 912 HE2 HIS 119 2HE HIS 119 -3.655 20.506 -13.980 913 H HIS 120 H HIS 120 -6.694 18.082 -17.680 914 HA HIS 120 HA HIS 120 -6.742 15.298 -18.574 915 1HB HIS 120 1HB HIS 120 -7.985 15.507 -20.502 916 2HB HIS 120 2HB HIS 120 -8.944 16.336 -19.309 917 HD1 HIS 120 1HD HIS 120 -9.421 16.882 -22.351 918 HD2 HIS 120 2HD HIS 120 -6.883 19.149 -19.811 919 HE1 HIS 120 1HE HIS 120 -9.017 19.133 -23.511 920 HE2 HIS 120 2HE HIS 120 -7.494 20.499 -21.974 921 H HIS 121 H HIS 121 -5.711 15.229 -20.886 922 HA HIS 121 HA HIS 121 -3.796 15.344 -22.044 923 1HB HIS 121 1HB HIS 121 -4.240 17.824 -22.233 924 2HB HIS 121 2HB HIS 121 -3.246 18.077 -20.804 925 HD1 HIS 121 1HD HIS 121 -0.734 18.570 -21.263 926 HD2 HIS 121 2HD HIS 121 -2.858 16.745 -24.460 927 HE1 HIS 121 1HE HIS 121 0.819 18.560 -23.269 928 HE2 HIS 121 2HE HIS 121 -0.444 17.468 -25.214 929 H GLU 122 H GLU 122 -1.323 15.536 -21.568 930 HA GLU 122 HA GLU 122 0.539 14.951 -20.480 931 1HB GLU 122 1HB GLU 122 -0.447 16.541 -18.728 932 2HB GLU 122 2HB GLU 122 -0.915 15.081 -17.845 933 1HG GLU 122 1HG GLU 122 1.425 14.417 -17.669 934 2HG GLU 122 2HG GLU 122 1.925 15.812 -18.627 935 H HIS 123 H HIS 123 1.138 12.910 -20.904 936 HA HIS 123 HA HIS 123 0.282 10.690 -19.245 937 1HB HIS 123 1HB HIS 123 -1.516 10.815 -21.045 938 2HB HIS 123 2HB HIS 123 -0.261 10.575 -22.257 939 HD1 HIS 123 1HD HIS 123 -2.381 8.650 -19.739 940 HD2 HIS 123 2HD HIS 123 0.997 8.107 -22.260 941 HE1 HIS 123 1HE HIS 123 -1.873 6.120 -19.817 942 HE2 HIS 123 2HE HIS 123 0.209 5.854 -21.348 943 H HIS 124 H HIS 124 2.053 9.054 -19.274 944 HA HIS 124 HA HIS 124 4.409 9.893 -20.870 945 1HB HIS 124 1HB HIS 124 4.069 11.011 -18.501 946 2HB HIS 124 2HB HIS 124 4.512 9.431 -17.873 947 HD1 HIS 124 1HD HIS 124 7.073 9.391 -17.303 948 HD2 HIS 124 2HD HIS 124 6.039 11.862 -20.587 949 HE1 HIS 124 1HE HIS 124 9.251 10.434 -18.153 950 HE2 HIS 124 2HE HIS 124 8.649 11.921 -20.136 Start of MODEL 15 1 1H MET 1 1H MET 1 -3.862 -10.216 -3.380 2 HA MET 1 HA MET 1 -3.765 -7.659 -4.833 3 1HB MET 1 1HB MET 1 -5.967 -8.104 -3.955 4 2HB MET 1 2HB MET 1 -5.347 -8.438 -2.349 5 1HG MET 1 1HG MET 1 -4.878 -6.196 -1.897 6 2HG MET 1 2HG MET 1 -4.829 -5.739 -3.585 7 1HE MET 1 1HE MET 1 -6.883 -6.356 -5.104 8 2HE MET 1 2HE MET 1 -8.435 -6.858 -4.420 9 3HE MET 1 3HE MET 1 -8.148 -5.151 -4.835 10 H ILE 2 H ILE 2 -2.459 -5.977 -3.909 11 HA ILE 2 HA ILE 2 -0.731 -6.692 -1.641 12 HB ILE 2 HB ILE 2 0.270 -5.328 -4.151 13 1HG1 ILE 2 1HG1 ILE 2 0.406 -8.287 -3.463 14 2HG1 ILE 2 2HG1 ILE 2 -0.266 -7.513 -4.911 15 1HG2 ILE 2 1HG2 ILE 2 1.461 -4.950 -1.947 16 2HG2 ILE 2 2HG2 ILE 2 1.899 -6.653 -1.968 17 3HG2 ILE 2 3HG2 ILE 2 2.462 -5.570 -3.256 18 1HD1 ILE 2 1HD1 ILE 2 1.808 -8.568 -5.493 19 2HD1 ILE 2 2HD1 ILE 2 2.030 -6.808 -5.571 20 3HD1 ILE 2 3HD1 ILE 2 2.673 -7.740 -4.190 21 H ILE 3 H ILE 3 -0.392 -4.867 -0.371 22 HA ILE 3 HA ILE 3 -2.326 -2.657 -0.766 23 HB ILE 3 HB ILE 3 -1.659 -4.462 1.573 24 1HG1 ILE 3 1HG1 ILE 3 -4.459 -3.964 0.544 25 2HG1 ILE 3 2HG1 ILE 3 -3.395 -5.008 -0.398 26 1HG2 ILE 3 1HG2 ILE 3 -3.488 -3.081 2.776 27 2HG2 ILE 3 2HG2 ILE 3 -1.882 -2.366 2.625 28 3HG2 ILE 3 3HG2 ILE 3 -3.172 -1.831 1.546 29 1HD1 ILE 3 1HD1 ILE 3 -4.610 -6.447 1.029 30 2HD1 ILE 3 2HD1 ILE 3 -2.964 -6.347 1.706 31 3HD1 ILE 3 3HD1 ILE 3 -4.302 -5.436 2.450 32 H ALA 4 H ALA 4 -1.099 -0.904 -1.105 33 HA ALA 4 HA ALA 4 1.607 -0.705 -0.015 34 1HB ALA 4 1HB ALA 4 0.020 0.683 -2.056 35 2HB ALA 4 2HB ALA 4 0.840 1.843 -0.982 36 3HB ALA 4 3HB ALA 4 1.779 0.660 -1.846 37 H ILE 5 H ILE 5 2.353 0.649 1.596 38 HA ILE 5 HA ILE 5 0.464 2.561 2.795 39 HB ILE 5 HB ILE 5 1.943 0.553 4.548 40 1HG1 ILE 5 1HG1 ILE 5 -1.023 0.790 3.886 41 2HG1 ILE 5 2HG1 ILE 5 0.036 -0.546 3.432 42 1HG2 ILE 5 1HG2 ILE 5 0.733 1.709 6.385 43 2HG2 ILE 5 2HG2 ILE 5 1.687 2.870 5.482 44 3HG2 ILE 5 3HG2 ILE 5 -0.064 2.761 5.198 45 1HD1 ILE 5 1HD1 ILE 5 -1.385 -1.207 5.229 46 2HD1 ILE 5 2HD1 ILE 5 0.311 -1.193 5.745 47 3HD1 ILE 5 3HD1 ILE 5 -0.804 0.100 6.270 48 HA PRO 6 HA PRO 6 4.642 4.386 2.437 49 1HB PRO 6 1HB PRO 6 3.991 7.018 2.720 50 2HB PRO 6 2HB PRO 6 3.689 6.125 1.206 51 1HG PRO 6 1HG PRO 6 1.709 6.758 3.407 52 2HG PRO 6 2HG PRO 6 1.495 6.907 1.638 53 1HD PRO 6 1HD PRO 6 0.639 4.734 3.119 54 2HD PRO 6 2HD PRO 6 1.134 4.595 1.401 55 H VAL 7 H VAL 7 5.888 4.073 4.317 56 HA VAL 7 HA VAL 7 4.703 4.924 6.921 57 HB VAL 7 HB VAL 7 6.299 3.266 7.908 58 1HG1 VAL 7 1HG1 VAL 7 3.983 2.375 6.158 59 2HG1 VAL 7 2HG1 VAL 7 4.826 1.316 7.292 60 3HG1 VAL 7 3HG1 VAL 7 4.016 2.747 7.912 61 1HG2 VAL 7 1HG2 VAL 7 7.850 2.870 6.135 62 2HG2 VAL 7 2HG2 VAL 7 7.020 1.362 6.460 63 3HG2 VAL 7 3HG2 VAL 7 6.583 2.301 5.016 64 H SER 8 H SER 8 5.934 6.128 8.348 65 HA SER 8 HA SER 8 7.822 7.907 7.044 66 1HB SER 8 1HB SER 8 6.727 7.606 9.860 67 2HB SER 8 2HB SER 8 8.107 8.667 9.547 68 HG SER 8 HG SER 8 6.688 9.456 7.721 69 H GLU 9 H GLU 9 8.259 4.847 8.759 70 HA GLU 9 HA GLU 9 11.140 5.082 8.467 71 1HB GLU 9 1HB GLU 9 9.670 4.714 11.115 72 2HB GLU 9 2HB GLU 9 11.296 4.101 10.874 73 1HG GLU 9 1HG GLU 9 10.590 7.031 10.468 74 2HG GLU 9 2HG GLU 9 11.007 6.369 11.996 75 H ASN 10 H ASN 10 12.023 2.904 8.700 76 HA ASN 10 HA ASN 10 10.129 0.848 7.686 77 1HB ASN 10 1HB ASN 10 12.233 1.386 6.465 78 2HB ASN 10 2HB ASN 10 13.185 0.776 7.809 79 1HD2 ASN 10 1HD2 ASN 10 12.839 -0.148 4.943 80 2HD2 ASN 10 2HD2 ASN 10 12.200 -1.766 4.942 81 H ARG 11 H ARG 11 9.101 0.105 9.564 82 HA ARG 11 HA ARG 11 10.957 -1.072 11.581 83 1HB ARG 11 1HB ARG 11 8.462 0.537 12.270 84 2HB ARG 11 2HB ARG 11 9.549 -0.282 13.390 85 1HG ARG 11 1HG ARG 11 11.402 1.238 12.575 86 2HG ARG 11 2HG ARG 11 10.180 2.173 11.693 87 1HD ARG 11 1HD ARG 11 9.029 2.765 13.716 88 2HD ARG 11 2HD ARG 11 9.912 1.556 14.647 89 HE ARG 11 HE ARG 11 11.721 3.487 13.486 90 1HH1 ARG 11 2HH2 ARG 11 9.660 2.737 16.275 91 2HH1 ARG 11 1HH2 ARG 11 10.616 3.562 17.424 92 1HH2 ARG 11 2HH1 ARG 11 12.596 5.162 14.907 93 2HH2 ARG 11 1HH1 ARG 11 12.395 4.974 16.611 94 H GLY 12 H GLY 12 9.722 -2.365 9.370 95 1HA GLY 12 1HA GLY 12 8.517 -4.273 8.849 96 2HA GLY 12 2HA GLY 12 8.716 -4.701 10.547 97 H LYS 13 H LYS 13 6.945 -4.750 11.826 98 HA LYS 13 HA LYS 13 4.270 -4.273 10.681 99 1HB LYS 13 1HB LYS 13 5.196 -5.279 13.402 100 2HB LYS 13 2HB LYS 13 3.545 -5.336 12.804 101 1HG LYS 13 1HG LYS 13 4.081 -6.963 11.135 102 2HG LYS 13 2HG LYS 13 5.815 -6.759 11.341 103 1HD LYS 13 1HD LYS 13 3.989 -7.932 13.467 104 2HD LYS 13 2HD LYS 13 5.001 -8.850 12.333 105 1HE LYS 13 1HE LYS 13 6.986 -7.444 13.221 106 2HE LYS 13 2HE LYS 13 5.910 -6.938 14.517 107 1HZ LYS 13 1HZ LYS 13 5.622 -9.388 14.968 108 2HZ LYS 13 2HZ LYS 13 6.864 -9.685 13.923 109 3HZ LYS 13 3HZ LYS 13 7.145 -8.800 15.266 110 H ASP 14 H ASP 14 6.375 -3.142 13.273 111 HA ASP 14 HA ASP 14 4.653 -1.320 14.558 112 1HB ASP 14 1HB ASP 14 7.605 -0.715 14.386 113 2HB ASP 14 2HB ASP 14 6.520 -0.485 15.728 114 H SER 15 H SER 15 6.155 -1.006 11.516 115 HA SER 15 HA SER 15 6.930 1.504 10.892 116 1HB SER 15 1HB SER 15 5.111 -0.132 9.209 117 2HB SER 15 2HB SER 15 6.267 1.154 8.746 118 HG SER 15 HG SER 15 6.719 -1.451 9.221 119 HA PRO 16 HA PRO 16 3.184 3.872 12.031 120 1HB PRO 16 1HB PRO 16 4.375 6.332 12.268 121 2HB PRO 16 2HB PRO 16 4.415 5.094 13.558 122 1HG PRO 16 1HG PRO 16 6.556 5.721 11.506 123 2HG PRO 16 2HG PRO 16 6.744 5.468 13.272 124 1HD PRO 16 1HD PRO 16 7.227 3.487 11.451 125 2HD PRO 16 2HD PRO 16 6.533 3.140 13.054 126 H ILE 17 H ILE 17 1.814 4.804 10.504 127 HA ILE 17 HA ILE 17 2.666 4.901 7.814 128 HB ILE 17 HB ILE 17 0.275 4.489 8.587 129 1HG1 ILE 17 1HG1 ILE 17 0.554 6.716 6.535 130 2HG1 ILE 17 2HG1 ILE 17 1.100 5.063 6.275 131 1HG2 ILE 17 1HG2 ILE 17 -1.129 6.364 9.097 132 2HG2 ILE 17 2HG2 ILE 17 0.136 6.133 10.303 133 3HG2 ILE 17 3HG2 ILE 17 0.250 7.468 9.120 134 1HD1 ILE 17 1HD1 ILE 17 -0.928 5.214 5.194 135 2HD1 ILE 17 2HD1 ILE 17 -1.211 4.252 6.654 136 3HD1 ILE 17 3HD1 ILE 17 -1.720 5.989 6.562 137 H SER 18 H SER 18 2.947 6.640 6.399 138 HA SER 18 HA SER 18 4.219 9.088 7.360 139 1HB SER 18 1HB SER 18 5.025 7.678 5.398 140 2HB SER 18 2HB SER 18 3.483 8.063 4.594 141 HG SER 18 HG SER 18 5.701 9.716 5.099 142 H GLU 19 H GLU 19 3.546 11.007 5.906 143 HA GLU 19 HA GLU 19 0.577 11.313 5.997 144 1HB GLU 19 1HB GLU 19 2.721 13.426 6.312 145 2HB GLU 19 2HB GLU 19 0.986 13.751 6.147 146 1HG GLU 19 1HG GLU 19 0.548 12.319 8.154 147 2HG GLU 19 2HG GLU 19 2.299 12.148 8.389 148 H HIS 20 H HIS 20 3.450 11.546 3.903 149 HA HIS 20 HA HIS 20 1.716 12.642 1.707 150 1HB HIS 20 1HB HIS 20 4.564 13.520 2.283 151 2HB HIS 20 2HB HIS 20 3.438 14.200 1.116 152 HD1 HIS 20 1HD HIS 20 0.990 15.192 2.668 153 HD2 HIS 20 2HD HIS 20 4.870 14.876 4.400 154 HE1 HIS 20 1HE HIS 20 1.022 16.601 4.821 155 HE2 HIS 20 2HE HIS 20 3.342 16.455 5.810 156 H PHE 21 H PHE 21 1.553 10.585 0.808 157 HA PHE 21 HA PHE 21 3.387 8.723 0.140 158 1HB PHE 21 1HB PHE 21 0.990 8.653 -0.408 159 2HB PHE 21 2HB PHE 21 1.208 9.874 -1.662 160 HD1 PHE 21 1HD PHE 21 2.328 9.286 -3.793 161 HD2 PHE 21 2HD PHE 21 1.814 6.320 -0.695 162 HE1 PHE 21 1HE PHE 21 2.917 7.463 -5.410 163 HE2 PHE 21 2HE PHE 21 2.542 4.567 -2.266 164 HZ PHE 21 HZ PHE 21 3.138 5.163 -4.605 165 H GLY 22 H GLY 22 3.063 11.836 -1.656 166 1HA GLY 22 1HA GLY 22 4.835 11.062 -3.757 167 2HA GLY 22 2HA GLY 22 4.300 12.701 -3.401 168 H ARG 23 H ARG 23 5.803 11.645 -0.584 169 HA ARG 23 HA ARG 23 8.544 11.629 -1.458 170 1HB ARG 23 1HB ARG 23 9.343 13.419 0.031 171 2HB ARG 23 2HB ARG 23 8.423 14.026 -1.329 172 1HG ARG 23 1HG ARG 23 6.761 13.543 1.096 173 2HG ARG 23 2HG ARG 23 8.057 14.696 1.356 174 1HD ARG 23 1HD ARG 23 6.151 14.908 -1.013 175 2HD ARG 23 2HD ARG 23 5.791 15.605 0.577 176 HE ARG 23 HE ARG 23 8.338 16.526 -0.056 177 1HH1 ARG 23 2HH2 ARG 23 5.137 16.892 -1.529 178 2HH1 ARG 23 1HH2 ARG 23 5.089 18.610 -1.238 179 1HH2 ARG 23 2HH1 ARG 23 8.537 18.748 -0.315 180 2HH2 ARG 23 1HH1 ARG 23 7.298 19.705 -1.045 181 H ALA 24 H ALA 24 7.052 9.652 -0.559 182 HA ALA 24 HA ALA 24 7.207 9.158 2.295 183 1HB ALA 24 1HB ALA 24 6.656 7.661 -0.279 184 2HB ALA 24 2HB ALA 24 6.863 6.760 1.206 185 3HB ALA 24 3HB ALA 24 5.561 7.971 1.097 186 HA PRO 25 HA PRO 25 11.601 7.822 1.845 187 1HB PRO 25 1HB PRO 25 12.041 6.897 4.392 188 2HB PRO 25 2HB PRO 25 12.067 8.618 3.942 189 1HG PRO 25 1HG PRO 25 9.772 7.066 5.158 190 2HG PRO 25 2HG PRO 25 10.421 8.661 5.651 191 1HD PRO 25 1HD PRO 25 8.229 8.459 4.069 192 2HD PRO 25 2HD PRO 25 9.442 9.728 3.779 193 H TYR 26 H TYR 26 8.851 5.818 2.885 194 HA TYR 26 HA TYR 26 10.154 3.422 1.718 195 1HB TYR 26 1HB TYR 26 8.877 3.630 4.463 196 2HB TYR 26 2HB TYR 26 9.332 2.112 3.693 197 HD1 TYR 26 1HD TYR 26 10.488 4.971 5.655 198 HD2 TYR 26 2HD TYR 26 11.723 1.555 3.325 199 HE1 TYR 26 1HE TYR 26 12.749 5.172 6.586 200 HE2 TYR 26 2HE TYR 26 14.028 1.786 4.279 201 HH TYR 26 HH TYR 26 14.972 4.384 6.478 202 H PHE 27 H PHE 27 8.659 1.873 1.071 203 HA PHE 27 HA PHE 27 5.751 2.519 1.300 204 1HB PHE 27 1HB PHE 27 7.132 1.498 -1.181 205 2HB PHE 27 2HB PHE 27 5.476 1.535 -1.015 206 HD1 PHE 27 1HD PHE 27 5.034 4.260 0.319 207 HD2 PHE 27 2HD PHE 27 7.470 3.043 -2.993 208 HE1 PHE 27 1HE PHE 27 4.649 6.410 -0.750 209 HE2 PHE 27 2HE PHE 27 7.034 5.199 -4.121 210 HZ PHE 27 HZ PHE 27 5.602 6.921 -2.959 211 H ALA 28 H ALA 28 5.126 1.040 2.741 212 HA ALA 28 HA ALA 28 6.169 -1.702 2.844 213 1HB ALA 28 1HB ALA 28 4.437 -1.737 4.750 214 2HB ALA 28 2HB ALA 28 5.766 -0.591 4.983 215 3HB ALA 28 3HB ALA 28 4.171 -0.033 4.447 216 H PHE 29 H PHE 29 5.548 -2.698 0.925 217 HA PHE 29 HA PHE 29 2.661 -2.655 0.228 218 1HB PHE 29 1HB PHE 29 5.170 -3.332 -1.168 219 2HB PHE 29 2HB PHE 29 3.832 -4.397 -1.517 220 HD1 PHE 29 1HD PHE 29 5.449 -1.691 -2.992 221 HD2 PHE 29 2HD PHE 29 1.415 -2.772 -1.724 222 HE1 PHE 29 1HE PHE 29 4.453 -0.433 -4.820 223 HE2 PHE 29 2HE PHE 29 0.502 -1.173 -3.342 224 HZ PHE 29 HZ PHE 29 1.976 -0.069 -4.961 225 H VAL 30 H VAL 30 1.642 -3.757 1.786 226 HA VAL 30 HA VAL 30 2.673 -6.331 2.811 227 HB VAL 30 HB VAL 30 -0.060 -5.037 3.205 228 1HG1 VAL 30 1HG1 VAL 30 0.104 -7.319 4.084 229 2HG1 VAL 30 2HG1 VAL 30 1.607 -6.928 4.950 230 3HG1 VAL 30 3HG1 VAL 30 0.057 -6.200 5.433 231 1HG2 VAL 30 1HG2 VAL 30 0.785 -3.973 5.282 232 2HG2 VAL 30 2HG2 VAL 30 2.436 -4.479 4.889 233 3HG2 VAL 30 3HG2 VAL 30 1.565 -3.289 3.874 234 H LYS 31 H LYS 31 1.172 -8.288 2.497 235 HA LYS 31 HA LYS 31 -0.152 -8.187 -0.195 236 1HB LYS 31 1HB LYS 31 1.225 -10.553 1.137 237 2HB LYS 31 2HB LYS 31 0.445 -10.528 -0.456 238 1HG LYS 31 1HG LYS 31 2.107 -8.578 -0.989 239 2HG LYS 31 2HG LYS 31 2.991 -9.123 0.413 240 1HD LYS 31 1HD LYS 31 4.058 -10.373 -1.137 241 2HD LYS 31 2HD LYS 31 2.742 -11.521 -0.825 242 1HE LYS 31 1HE LYS 31 1.484 -10.596 -2.777 243 2HE LYS 31 2HE LYS 31 2.707 -9.323 -2.949 244 1HZ LYS 31 1HZ LYS 31 4.320 -11.168 -3.373 245 2HZ LYS 31 2HZ LYS 31 3.008 -12.168 -3.594 246 3HZ LYS 31 3HZ LYS 31 3.252 -10.867 -4.549 247 H VAL 32 H VAL 32 -1.614 -10.469 -0.132 248 HA VAL 32 HA VAL 32 -2.645 -10.999 2.471 249 HB VAL 32 HB VAL 32 -4.063 -9.050 1.872 250 1HG1 VAL 32 1HG1 VAL 32 -4.975 -10.628 -0.545 251 2HG1 VAL 32 2HG1 VAL 32 -5.638 -9.080 0.030 252 3HG1 VAL 32 3HG1 VAL 32 -3.978 -9.152 -0.554 253 1HG2 VAL 32 1HG2 VAL 32 -5.601 -11.663 1.873 254 2HG2 VAL 32 2HG2 VAL 32 -5.192 -10.602 3.252 255 3HG2 VAL 32 3HG2 VAL 32 -6.313 -10.054 2.021 256 H LYS 33 H LYS 33 -3.425 -12.992 2.519 257 HA LYS 33 HA LYS 33 -3.080 -14.824 0.260 258 1HB LYS 33 1HB LYS 33 -2.275 -15.410 2.596 259 2HB LYS 33 2HB LYS 33 -3.915 -15.385 3.140 260 1HG LYS 33 1HG LYS 33 -3.035 -17.640 2.783 261 2HG LYS 33 2HG LYS 33 -4.393 -17.437 1.733 262 1HD LYS 33 1HD LYS 33 -1.570 -16.911 0.770 263 2HD LYS 33 2HD LYS 33 -2.226 -18.542 0.873 264 1HE LYS 33 1HE LYS 33 -3.852 -18.209 -0.775 265 2HE LYS 33 2HE LYS 33 -3.719 -16.448 -0.713 266 1HZ LYS 33 1HZ LYS 33 -2.500 -17.512 -2.623 267 2HZ LYS 33 2HZ LYS 33 -1.590 -16.525 -1.661 268 3HZ LYS 33 3HZ LYS 33 -1.474 -18.166 -1.552 269 H ASN 34 H ASN 34 -5.473 -16.228 1.777 270 HA ASN 34 HA ASN 34 -7.597 -15.566 0.001 271 1HB ASN 34 1HB ASN 34 -7.113 -17.773 1.026 272 2HB ASN 34 2HB ASN 34 -7.510 -17.126 2.615 273 1HD2 ASN 34 1HD2 ASN 34 -8.767 -18.829 0.043 274 2HD2 ASN 34 2HD2 ASN 34 -10.464 -18.589 0.348 275 H ASN 35 H ASN 35 -7.428 -15.129 3.607 276 HA ASN 35 HA ASN 35 -8.410 -12.341 3.298 277 1HB ASN 35 1HB ASN 35 -10.254 -14.189 3.840 278 2HB ASN 35 2HB ASN 35 -9.509 -14.099 5.461 279 1HD2 ASN 35 1HD2 ASN 35 -12.191 -13.494 5.258 280 2HD2 ASN 35 2HD2 ASN 35 -12.403 -11.756 5.351 281 H ALA 36 H ALA 36 -5.767 -13.599 3.959 282 HA ALA 36 HA ALA 36 -5.409 -12.684 6.739 283 1HB ALA 36 1HB ALA 36 -3.809 -14.612 6.996 284 2HB ALA 36 2HB ALA 36 -5.492 -15.128 6.774 285 3HB ALA 36 3HB ALA 36 -4.329 -15.228 5.425 286 H ILE 37 H ILE 37 -2.921 -12.114 7.132 287 HA ILE 37 HA ILE 37 -2.406 -10.160 5.208 288 HB ILE 37 HB ILE 37 -0.923 -11.168 7.646 289 1HG1 ILE 37 1HG1 ILE 37 -1.268 -8.808 8.410 290 2HG1 ILE 37 2HG1 ILE 37 -2.071 -8.440 6.892 291 1HG2 ILE 37 1HG2 ILE 37 0.746 -9.331 7.465 292 2HG2 ILE 37 2HG2 ILE 37 0.960 -10.488 6.164 293 3HG2 ILE 37 3HG2 ILE 37 0.153 -8.953 5.838 294 1HD1 ILE 37 1HD1 ILE 37 -3.934 -9.947 7.515 295 2HD1 ILE 37 2HD1 ILE 37 -3.060 -10.372 9.017 296 3HD1 ILE 37 3HD1 ILE 37 -3.640 -8.724 8.756 297 H ALA 38 H ALA 38 -1.316 -13.370 5.133 298 HA ALA 38 HA ALA 38 0.230 -14.572 4.015 299 1HB ALA 38 1HB ALA 38 -0.077 -12.403 1.925 300 2HB ALA 38 2HB ALA 38 0.867 -13.896 1.706 301 3HB ALA 38 3HB ALA 38 -0.872 -13.984 1.996 302 H ASP 39 H ASP 39 1.336 -11.147 3.650 303 HA ASP 39 HA ASP 39 3.972 -11.748 4.667 304 1HB ASP 39 1HB ASP 39 3.446 -12.370 1.852 305 2HB ASP 39 2HB ASP 39 4.573 -11.025 1.941 306 H ILE 40 H ILE 40 5.478 -9.966 4.321 307 HA ILE 40 HA ILE 40 4.228 -7.294 3.914 308 HB ILE 40 HB ILE 40 6.223 -8.329 5.938 309 1HG1 ILE 40 1HG1 ILE 40 3.416 -8.342 6.074 310 2HG1 ILE 40 2HG1 ILE 40 4.544 -8.618 7.368 311 1HG2 ILE 40 1HG2 ILE 40 6.916 -6.064 5.255 312 2HG2 ILE 40 2HG2 ILE 40 5.304 -5.471 5.694 313 3HG2 ILE 40 3HG2 ILE 40 6.395 -6.099 6.918 314 1HD1 ILE 40 1HD1 ILE 40 3.302 -5.914 6.686 315 2HD1 ILE 40 2HD1 ILE 40 2.729 -7.037 7.913 316 3HD1 ILE 40 3HD1 ILE 40 4.320 -6.282 8.105 317 H SER 41 H SER 41 5.678 -5.678 2.964 318 HA SER 41 HA SER 41 8.275 -6.515 1.909 319 1HB SER 41 1HB SER 41 6.374 -5.286 -0.081 320 2HB SER 41 2HB SER 41 7.834 -6.202 -0.367 321 HG SER 41 HG SER 41 5.329 -7.069 0.599 322 H VAL 42 H VAL 42 8.730 -4.940 3.682 323 HA VAL 42 HA VAL 42 8.100 -2.131 3.003 324 HB VAL 42 HB VAL 42 7.525 -2.815 5.201 325 1HG1 VAL 42 1HG1 VAL 42 10.449 -3.416 5.762 326 2HG1 VAL 42 2HG1 VAL 42 9.155 -3.318 6.951 327 3HG1 VAL 42 3HG1 VAL 42 9.117 -4.586 5.720 328 1HG2 VAL 42 1HG2 VAL 42 9.803 -0.825 5.130 329 2HG2 VAL 42 2HG2 VAL 42 8.105 -0.502 4.791 330 3HG2 VAL 42 3HG2 VAL 42 8.602 -0.975 6.427 331 H GLU 43 H GLU 43 9.229 -1.882 1.198 332 HA GLU 43 HA GLU 43 12.166 -2.305 1.222 333 1HB GLU 43 1HB GLU 43 10.197 -1.662 -1.008 334 2HB GLU 43 2HB GLU 43 11.926 -1.882 -1.237 335 1HG GLU 43 1HG GLU 43 10.203 -4.116 -0.063 336 2HG GLU 43 2HG GLU 43 10.247 -3.807 -1.787 337 H GLU 44 H GLU 44 13.528 -0.518 0.605 338 HA GLU 44 HA GLU 44 12.727 2.106 1.484 339 1HB GLU 44 1HB GLU 44 15.128 0.982 -0.057 340 2HB GLU 44 2HB GLU 44 15.080 2.614 0.625 341 1HG GLU 44 1HG GLU 44 15.498 1.891 2.717 342 2HG GLU 44 2HG GLU 44 14.430 0.504 2.609 343 H ASN 45 H ASN 45 12.612 4.011 0.247 344 HA ASN 45 HA ASN 45 11.346 3.468 -2.340 345 1HB ASN 45 1HB ASN 45 11.352 5.773 -0.435 346 2HB ASN 45 2HB ASN 45 10.884 6.052 -2.098 347 1HD2 ASN 45 1HD2 ASN 45 8.873 6.619 -0.654 348 2HD2 ASN 45 2HD2 ASN 45 7.675 5.312 -0.697 349 HA PRO 46 HA PRO 46 15.209 4.765 -4.198 350 1HB PRO 46 1HB PRO 46 14.539 4.421 -6.854 351 2HB PRO 46 2HB PRO 46 15.018 3.109 -5.742 352 1HG PRO 46 1HG PRO 46 12.206 3.932 -6.521 353 2HG PRO 46 2HG PRO 46 12.894 2.288 -6.410 354 1HD PRO 46 1HD PRO 46 11.393 3.386 -4.439 355 2HD PRO 46 2HD PRO 46 12.761 2.315 -4.047 356 H LEU 47 H LEU 47 12.050 6.307 -4.730 357 HA LEU 47 HA LEU 47 13.523 8.792 -5.575 358 1HB LEU 47 1HB LEU 47 10.731 7.995 -6.355 359 2HB LEU 47 2HB LEU 47 11.531 9.487 -6.793 360 HG LEU 47 HG LEU 47 11.465 8.386 -8.709 361 1HD1 LEU 47 1HD1 LEU 47 14.236 7.657 -7.759 362 2HD1 LEU 47 2HD1 LEU 47 13.711 8.051 -9.400 363 3HD1 LEU 47 3HD1 LEU 47 13.715 9.307 -8.134 364 1HD2 LEU 47 1HD2 LEU 47 12.603 5.835 -7.605 365 2HD2 LEU 47 2HD2 LEU 47 10.862 6.121 -7.871 366 3HD2 LEU 47 3HD2 LEU 47 11.992 6.150 -9.241 367 H ALA 48 H ALA 48 13.015 8.056 -2.805 368 HA ALA 48 HA ALA 48 10.661 9.239 -1.730 369 1HB ALA 48 1HB ALA 48 12.311 7.906 -0.434 370 2HB ALA 48 2HB ALA 48 13.501 9.206 -0.621 371 3HB ALA 48 3HB ALA 48 12.016 9.494 0.313 372 H GLN 49 H GLN 49 13.802 10.656 -2.523 373 HA GLN 49 HA GLN 49 12.725 13.321 -3.009 374 1HB GLN 49 1HB GLN 49 14.122 12.727 -0.386 375 2HB GLN 49 2HB GLN 49 14.455 14.250 -1.175 376 1HG GLN 49 1HG GLN 49 11.713 14.250 -1.321 377 2HG GLN 49 2HG GLN 49 11.984 13.402 0.202 378 1HE2 GLN 49 1HE2 GLN 49 12.265 14.839 2.031 379 2HE2 GLN 49 2HE2 GLN 49 12.795 16.488 1.847 380 H ASP 50 H ASP 50 14.164 11.394 -4.570 381 HA ASP 50 HA ASP 50 16.963 12.457 -4.644 382 1HB ASP 50 1HB ASP 50 16.889 10.048 -4.777 383 2HB ASP 50 2HB ASP 50 15.747 10.101 -6.140 384 H HIS 51 H HIS 51 14.658 11.481 -7.174 385 HA HIS 51 HA HIS 51 15.567 13.481 -8.994 386 1HB HIS 51 1HB HIS 51 13.575 11.358 -8.983 387 2HB HIS 51 2HB HIS 51 13.057 12.733 -9.915 388 HD1 HIS 51 1HD HIS 51 15.217 13.682 -11.684 389 HD2 HIS 51 2HD HIS 51 15.232 9.706 -10.208 390 HE1 HIS 51 1HE HIS 51 16.704 12.303 -13.231 391 HE2 HIS 51 2HE HIS 51 16.766 9.942 -12.344 392 H VAL 52 H VAL 52 13.261 13.633 -6.436 393 HA VAL 52 HA VAL 52 11.593 15.004 -5.878 394 HB VAL 52 HB VAL 52 13.685 17.132 -6.536 395 1HG1 VAL 52 1HG1 VAL 52 11.352 17.090 -4.565 396 2HG1 VAL 52 2HG1 VAL 52 12.658 18.290 -4.533 397 3HG1 VAL 52 3HG1 VAL 52 11.596 18.219 -5.925 398 1HG2 VAL 52 1HG2 VAL 52 14.393 16.838 -4.164 399 2HG2 VAL 52 2HG2 VAL 52 13.295 15.454 -4.015 400 3HG2 VAL 52 3HG2 VAL 52 14.689 15.405 -5.124 401 H HIS 53 H HIS 53 10.681 14.129 -8.095 402 HA HIS 53 HA HIS 53 9.809 16.302 -9.847 403 1HB HIS 53 1HB HIS 53 11.884 16.070 -10.941 404 2HB HIS 53 2HB HIS 53 11.953 14.351 -10.669 405 HD1 HIS 53 1HD HIS 53 9.401 16.482 -12.715 406 HD2 HIS 53 2HD HIS 53 11.999 13.149 -12.945 407 HE1 HIS 53 1HE HIS 53 8.984 15.369 -14.989 408 HE2 HIS 53 2HE HIS 53 10.610 13.358 -15.139 409 H GLY 54 H GLY 54 10.194 12.710 -9.733 410 1HA GLY 54 1HA GLY 54 7.408 12.168 -9.724 411 2HA GLY 54 2HA GLY 54 8.053 12.123 -11.387 412 H ALA 55 H ALA 55 8.140 9.993 -11.727 413 HA ALA 55 HA ALA 55 8.536 7.837 -11.732 414 1HB ALA 55 1HB ALA 55 11.164 8.954 -10.811 415 2HB ALA 55 2HB ALA 55 10.943 7.257 -11.292 416 3HB ALA 55 3HB ALA 55 10.608 8.547 -12.448 417 H VAL 56 H VAL 56 8.679 9.062 -8.499 418 HA VAL 56 HA VAL 56 8.733 6.905 -6.859 419 HB VAL 56 HB VAL 56 6.998 9.361 -7.043 420 1HG1 VAL 56 1HG1 VAL 56 5.841 8.889 -4.886 421 2HG1 VAL 56 2HG1 VAL 56 5.249 7.933 -6.246 422 3HG1 VAL 56 3HG1 VAL 56 6.342 7.197 -5.067 423 1HG2 VAL 56 1HG2 VAL 56 7.958 9.881 -4.843 424 2HG2 VAL 56 2HG2 VAL 56 8.846 8.343 -4.893 425 3HG2 VAL 56 3HG2 VAL 56 9.156 9.613 -6.108 426 HA PRO 57 HA PRO 57 4.400 5.321 -8.047 427 1HB PRO 57 1HB PRO 57 3.143 6.144 -10.325 428 2HB PRO 57 2HB PRO 57 2.943 6.970 -8.743 429 1HG PRO 57 1HG PRO 57 4.538 7.772 -11.157 430 2HG PRO 57 2HG PRO 57 3.709 8.812 -9.965 431 1HD PRO 57 1HD PRO 57 6.425 8.189 -10.065 432 2HD PRO 57 2HD PRO 57 5.627 8.906 -8.663 433 H ASN 58 H ASN 58 6.559 6.175 -10.737 434 HA ASN 58 HA ASN 58 5.782 4.060 -12.482 435 1HB ASN 58 1HB ASN 58 7.180 6.318 -12.834 436 2HB ASN 58 2HB ASN 58 8.555 5.238 -12.575 437 1HD2 ASN 58 1HD2 ASN 58 6.620 6.582 -14.927 438 2HD2 ASN 58 2HD2 ASN 58 6.772 5.321 -16.144 439 H PHE 59 H PHE 59 7.869 4.267 -9.702 440 HA PHE 59 HA PHE 59 8.969 1.571 -9.889 441 1HB PHE 59 1HB PHE 59 10.222 3.050 -8.577 442 2HB PHE 59 2HB PHE 59 8.820 3.740 -7.794 443 HD1 PHE 59 1HD PHE 59 8.297 3.092 -5.616 444 HD2 PHE 59 2HD PHE 59 10.520 0.386 -8.140 445 HE1 PHE 59 1HE PHE 59 8.722 1.535 -3.668 446 HE2 PHE 59 2HE PHE 59 10.899 -1.119 -6.190 447 HZ PHE 59 HZ PHE 59 10.025 -0.504 -3.964 448 H VAL 60 H VAL 60 6.513 2.925 -7.515 449 HA VAL 60 HA VAL 60 5.803 0.331 -6.764 450 HB VAL 60 HB VAL 60 3.632 1.400 -5.917 451 1HG1 VAL 60 1HG1 VAL 60 4.742 2.500 -4.050 452 2HG1 VAL 60 2HG1 VAL 60 5.812 1.171 -4.536 453 3HG1 VAL 60 3HG1 VAL 60 6.183 2.819 -5.032 454 1HG2 VAL 60 1HG2 VAL 60 3.728 3.290 -7.605 455 2HG2 VAL 60 2HG2 VAL 60 3.243 3.625 -5.957 456 3HG2 VAL 60 3HG2 VAL 60 4.911 4.030 -6.471 457 H LYS 61 H LYS 61 4.381 1.992 -9.565 458 HA LYS 61 HA LYS 61 2.086 0.253 -9.790 459 1HB LYS 61 1HB LYS 61 3.773 1.677 -11.865 460 2HB LYS 61 2HB LYS 61 2.364 0.697 -12.266 461 1HG LYS 61 1HG LYS 61 0.874 2.277 -11.016 462 2HG LYS 61 2HG LYS 61 2.291 3.199 -10.515 463 1HD LYS 61 1HD LYS 61 1.213 4.264 -12.418 464 2HD LYS 61 2HD LYS 61 2.811 3.661 -12.880 465 1HE LYS 61 1HE LYS 61 0.681 1.659 -13.310 466 2HE LYS 61 2HE LYS 61 0.321 3.158 -14.156 467 1HZ LYS 61 1HZ LYS 61 2.893 1.729 -14.471 468 2HZ LYS 61 2HZ LYS 61 1.597 1.550 -15.462 469 3HZ LYS 61 3HZ LYS 61 2.358 3.018 -15.316 470 H GLU 62 H GLU 62 5.517 -0.014 -10.730 471 HA GLU 62 HA GLU 62 5.240 -2.374 -12.240 472 1HB GLU 62 1HB GLU 62 7.359 -2.059 -12.666 473 2HB GLU 62 2HB GLU 62 7.140 -0.525 -11.926 474 1HG GLU 62 1HG GLU 62 8.807 -0.932 -10.534 475 2HG GLU 62 2HG GLU 62 7.922 -2.201 -9.748 476 H LYS 63 H LYS 63 4.976 -1.893 -8.833 477 HA LYS 63 HA LYS 63 6.131 -4.508 -8.112 478 1HB LYS 63 1HB LYS 63 4.681 -2.490 -6.378 479 2HB LYS 63 2HB LYS 63 5.660 -3.836 -5.825 480 1HG LYS 63 1HG LYS 63 6.699 -1.446 -7.413 481 2HG LYS 63 2HG LYS 63 6.808 -1.609 -5.669 482 1HD LYS 63 1HD LYS 63 8.093 -3.589 -7.610 483 2HD LYS 63 2HD LYS 63 8.870 -2.120 -7.048 484 1HE LYS 63 1HE LYS 63 8.405 -2.904 -4.640 485 2HE LYS 63 2HE LYS 63 7.878 -4.432 -5.345 486 1HZ LYS 63 1HZ LYS 63 9.913 -5.096 -5.399 487 2HZ LYS 63 2HZ LYS 63 10.328 -3.940 -6.484 488 3HZ LYS 63 3HZ LYS 63 10.536 -3.644 -4.880 489 H GLY 64 H GLY 64 3.969 -4.553 -9.922 490 1HA GLY 64 1HA GLY 64 1.800 -5.115 -10.364 491 2HA GLY 64 2HA GLY 64 2.321 -6.565 -9.505 492 H ALA 65 H ALA 65 1.520 -3.250 -8.176 493 HA ALA 65 HA ALA 65 0.200 -4.477 -6.003 494 1HB ALA 65 1HB ALA 65 0.191 -1.563 -6.875 495 2HB ALA 65 2HB ALA 65 -0.158 -2.193 -5.242 496 3HB ALA 65 3HB ALA 65 1.468 -2.373 -5.931 497 H GLU 66 H GLU 66 -2.021 -3.392 -5.198 498 HA GLU 66 HA GLU 66 -4.058 -3.341 -7.322 499 1HB GLU 66 1HB GLU 66 -3.625 -5.629 -5.483 500 2HB GLU 66 2HB GLU 66 -5.283 -5.029 -5.622 501 1HG GLU 66 1HG GLU 66 -5.349 -5.338 -7.975 502 2HG GLU 66 2HG GLU 66 -3.614 -5.689 -8.055 503 H LEU 67 H LEU 67 -3.063 -2.806 -3.904 504 HA LEU 67 HA LEU 67 -5.350 -0.989 -3.580 505 1HB LEU 67 1HB LEU 67 -5.715 -3.378 -2.748 506 2HB LEU 67 2HB LEU 67 -4.471 -3.100 -1.567 507 HG LEU 67 HG LEU 67 -6.707 -3.069 -0.701 508 1HD1 LEU 67 1HD1 LEU 67 -4.895 -1.485 0.273 509 2HD1 LEU 67 2HD1 LEU 67 -6.008 -0.210 -0.275 510 3HD1 LEU 67 3HD1 LEU 67 -6.563 -1.439 0.855 511 1HD2 LEU 67 1HD2 LEU 67 -7.287 -0.564 -2.286 512 2HD2 LEU 67 2HD2 LEU 67 -7.894 -2.191 -2.670 513 3HD2 LEU 67 3HD2 LEU 67 -8.371 -1.400 -1.153 514 H VAL 68 H VAL 68 -4.955 0.559 -1.821 515 HA VAL 68 HA VAL 68 -2.203 0.884 -0.804 516 HB VAL 68 HB VAL 68 -3.563 3.207 -2.171 517 1HG1 VAL 68 1HG1 VAL 68 -1.551 4.275 -2.136 518 2HG1 VAL 68 2HG1 VAL 68 -1.312 3.232 -0.717 519 3HG1 VAL 68 3HG1 VAL 68 -0.613 2.794 -2.298 520 1HG2 VAL 68 1HG2 VAL 68 -3.509 1.614 -3.974 521 2HG2 VAL 68 2HG2 VAL 68 -2.334 2.878 -4.251 522 3HG2 VAL 68 3HG2 VAL 68 -1.778 1.273 -3.700 523 H ILE 69 H ILE 69 -2.259 2.060 1.193 524 HA ILE 69 HA ILE 69 -4.795 3.331 2.019 525 HB ILE 69 HB ILE 69 -3.058 1.549 3.759 526 1HG1 ILE 69 1HG1 ILE 69 -5.950 1.048 2.946 527 2HG1 ILE 69 2HG1 ILE 69 -4.579 0.316 2.117 528 1HG2 ILE 69 1HG2 ILE 69 -3.864 3.221 5.219 529 2HG2 ILE 69 2HG2 ILE 69 -5.399 3.404 4.320 530 3HG2 ILE 69 3HG2 ILE 69 -5.107 1.996 5.323 531 1HD1 ILE 69 1HD1 ILE 69 -5.359 -0.166 5.002 532 2HD1 ILE 69 2HD1 ILE 69 -5.393 -1.293 3.643 533 3HD1 ILE 69 3HD1 ILE 69 -3.836 -0.720 4.266 534 H VAL 70 H VAL 70 -4.275 5.434 2.167 535 HA VAL 70 HA VAL 70 -1.544 6.225 3.058 536 HB VAL 70 HB VAL 70 -1.457 7.895 1.347 537 1HG1 VAL 70 1HG1 VAL 70 -0.795 5.532 0.757 538 2HG1 VAL 70 2HG1 VAL 70 -2.371 5.347 -0.025 539 3HG1 VAL 70 3HG1 VAL 70 -1.218 6.545 -0.630 540 1HG2 VAL 70 1HG2 VAL 70 -3.168 8.093 -0.454 541 2HG2 VAL 70 2HG2 VAL 70 -4.216 7.001 0.421 542 3HG2 VAL 70 3HG2 VAL 70 -3.813 8.575 1.125 543 H ARG 71 H ARG 71 -1.739 8.889 3.231 544 HA ARG 71 HA ARG 71 -3.982 9.329 5.137 545 1HB ARG 71 1HB ARG 71 -1.604 9.298 6.061 546 2HB ARG 71 2HB ARG 71 -1.367 10.843 5.259 547 1HG ARG 71 1HG ARG 71 -2.613 11.960 6.822 548 2HG ARG 71 2HG ARG 71 -3.875 10.735 6.823 549 1HD ARG 71 1HD ARG 71 -2.294 9.267 8.204 550 2HD ARG 71 2HD ARG 71 -1.304 10.685 8.481 551 HE ARG 71 HE ARG 71 -4.109 10.152 9.253 552 1HH1 ARG 71 2HH2 ARG 71 -1.368 12.372 9.755 553 2HH1 ARG 71 1HH2 ARG 71 -2.289 13.576 10.589 554 1HH2 ARG 71 2HH1 ARG 71 -5.127 11.337 10.805 555 2HH2 ARG 71 1HH1 ARG 71 -4.598 12.870 11.344 556 H GLY 72 H GLY 72 -2.119 12.097 3.906 557 1HA GLY 72 1HA GLY 72 -4.630 13.026 2.720 558 2HA GLY 72 2HA GLY 72 -3.192 13.972 3.062 559 H ILE 73 H ILE 73 -1.641 11.781 1.466 560 HA ILE 73 HA ILE 73 -0.565 11.895 -0.483 561 HB ILE 73 HB ILE 73 -2.114 10.084 -0.536 562 1HG1 ILE 73 1HG1 ILE 73 -2.049 10.895 -3.427 563 2HG1 ILE 73 2HG1 ILE 73 -0.539 10.743 -2.549 564 1HG2 ILE 73 1HG2 ILE 73 -4.067 11.851 -2.059 565 2HG2 ILE 73 2HG2 ILE 73 -4.151 10.088 -2.060 566 3HG2 ILE 73 3HG2 ILE 73 -4.327 10.979 -0.540 567 1HD1 ILE 73 1HD1 ILE 73 -1.119 8.629 -3.665 568 2HD1 ILE 73 2HD1 ILE 73 -1.130 8.418 -1.912 569 3HD1 ILE 73 3HD1 ILE 73 -2.660 8.562 -2.810 570 H GLY 74 H GLY 74 -2.259 12.557 -3.067 571 1HA GLY 74 1HA GLY 74 -2.418 15.479 -3.042 572 2HA GLY 74 2HA GLY 74 -1.102 14.826 -4.039 573 H ARG 75 H ARG 75 -2.008 15.300 -6.123 574 HA ARG 75 HA ARG 75 -4.229 13.441 -6.879 575 1HB ARG 75 1HB ARG 75 -5.113 15.632 -7.220 576 2HB ARG 75 2HB ARG 75 -3.627 16.184 -7.977 577 1HG ARG 75 1HG ARG 75 -5.247 15.960 -9.689 578 2HG ARG 75 2HG ARG 75 -4.075 14.698 -9.943 579 1HD ARG 75 1HD ARG 75 -5.753 13.206 -10.041 580 2HD ARG 75 2HD ARG 75 -6.136 13.528 -8.356 581 HE ARG 75 HE ARG 75 -7.839 14.981 -8.944 582 1HH1 ARG 75 2HH2 ARG 75 -6.379 13.655 -11.940 583 2HH1 ARG 75 1HH2 ARG 75 -7.793 13.926 -12.884 584 1HH2 ARG 75 2HH1 ARG 75 -9.678 15.382 -10.269 585 2HH2 ARG 75 1HH1 ARG 75 -9.643 15.011 -11.939 586 H ARG 76 H ARG 76 -1.009 14.827 -7.788 587 HA ARG 76 HA ARG 76 -0.623 13.391 -10.069 588 1HB ARG 76 1HB ARG 76 1.795 13.530 -9.682 589 2HB ARG 76 2HB ARG 76 0.947 15.017 -9.291 590 1HG ARG 76 1HG ARG 76 0.913 13.822 -6.825 591 2HG ARG 76 2HG ARG 76 2.323 13.014 -7.482 592 1HD ARG 76 1HD ARG 76 2.065 15.998 -7.824 593 2HD ARG 76 2HD ARG 76 2.212 15.444 -6.166 594 HE ARG 76 HE ARG 76 4.385 14.500 -6.624 595 1HH1 ARG 76 2HH2 ARG 76 3.250 16.936 -9.017 596 2HH1 ARG 76 1HH2 ARG 76 4.854 17.343 -9.475 597 1HH2 ARG 76 2HH1 ARG 76 6.421 15.236 -7.071 598 2HH2 ARG 76 1HH1 ARG 76 6.720 16.373 -8.356 599 H ALA 77 H ALA 77 -0.358 12.029 -6.798 600 HA ALA 77 HA ALA 77 0.675 9.529 -7.839 601 1HB ALA 77 1HB ALA 77 -0.364 10.309 -5.102 602 2HB ALA 77 2HB ALA 77 0.249 8.686 -5.511 603 3HB ALA 77 3HB ALA 77 1.326 10.078 -5.638 604 H ILE 78 H ILE 78 -2.637 10.762 -7.006 605 HA ILE 78 HA ILE 78 -4.078 8.432 -7.029 606 HB ILE 78 HB ILE 78 -4.608 11.295 -7.904 607 1HG1 ILE 78 1HG1 ILE 78 -6.092 11.333 -6.010 608 2HG1 ILE 78 2HG1 ILE 78 -5.851 9.597 -5.803 609 1HG2 ILE 78 1HG2 ILE 78 -6.019 10.054 -9.408 610 2HG2 ILE 78 2HG2 ILE 78 -6.622 9.063 -8.063 611 3HG2 ILE 78 3HG2 ILE 78 -6.983 10.806 -8.147 612 1HD1 ILE 78 1HD1 ILE 78 -3.719 9.830 -4.885 613 2HD1 ILE 78 2HD1 ILE 78 -3.557 11.506 -5.465 614 3HD1 ILE 78 3HD1 ILE 78 -4.696 11.108 -4.154 615 H ALA 79 H ALA 79 -2.900 10.498 -9.792 616 HA ALA 79 HA ALA 79 -4.072 8.979 -11.860 617 1HB ALA 79 1HB ALA 79 -1.431 10.497 -11.992 618 2HB ALA 79 2HB ALA 79 -2.633 10.258 -13.286 619 3HB ALA 79 3HB ALA 79 -2.998 11.318 -11.906 620 H ALA 80 H ALA 80 -1.432 7.919 -9.834 621 HA ALA 80 HA ALA 80 -0.197 6.239 -11.910 622 1HB ALA 80 1HB ALA 80 0.116 6.230 -8.846 623 2HB ALA 80 2HB ALA 80 1.093 5.369 -10.028 624 3HB ALA 80 3HB ALA 80 1.098 7.170 -9.982 625 H PHE 81 H PHE 81 -1.982 5.718 -8.799 626 HA PHE 81 HA PHE 81 -2.532 3.083 -9.179 627 1HB PHE 81 1HB PHE 81 -4.117 5.244 -7.712 628 2HB PHE 81 2HB PHE 81 -4.102 3.538 -7.336 629 HD1 PHE 81 1HD PHE 81 -1.142 2.895 -7.463 630 HD2 PHE 81 2HD PHE 81 -3.338 6.161 -5.683 631 HE1 PHE 81 1HE PHE 81 0.620 3.148 -5.764 632 HE2 PHE 81 2HE PHE 81 -1.577 6.369 -3.942 633 HZ PHE 81 HZ PHE 81 0.382 4.859 -3.976 634 H GLU 82 H GLU 82 -4.426 5.990 -10.158 635 HA GLU 82 HA GLU 82 -6.651 4.519 -11.167 636 1HB GLU 82 1HB GLU 82 -5.576 7.332 -11.579 637 2HB GLU 82 2HB GLU 82 -6.919 6.752 -12.529 638 1HG GLU 82 1HG GLU 82 -7.888 5.986 -10.144 639 2HG GLU 82 2HG GLU 82 -6.783 7.223 -9.547 640 H ALA 83 H ALA 83 -3.402 4.858 -12.554 641 HA ALA 83 HA ALA 83 -4.297 4.372 -15.289 642 1HB ALA 83 1HB ALA 83 -1.590 3.987 -13.975 643 2HB ALA 83 2HB ALA 83 -1.917 4.107 -15.711 644 3HB ALA 83 3HB ALA 83 -2.145 5.535 -14.674 645 H MET 84 H MET 84 -4.035 2.479 -12.457 646 HA MET 84 HA MET 84 -4.144 -0.010 -14.104 647 1HB MET 84 1HB MET 84 -3.121 -1.044 -11.896 648 2HB MET 84 2HB MET 84 -2.176 -0.448 -13.252 649 1HG MET 84 1HG MET 84 -1.692 1.640 -12.077 650 2HG MET 84 2HG MET 84 -2.726 1.168 -10.750 651 1HE MET 84 1HE MET 84 0.785 -1.748 -11.433 652 2HE MET 84 2HE MET 84 -0.840 -1.915 -12.040 653 3HE MET 84 3HE MET 84 0.259 -0.717 -12.779 654 H GLY 85 H GLY 85 -5.903 1.959 -11.981 655 1HA GLY 85 1HA GLY 85 -8.017 1.554 -11.058 656 2HA GLY 85 2HA GLY 85 -7.967 -0.116 -11.654 657 H VAL 86 H VAL 86 -5.312 1.367 -9.818 658 HA VAL 86 HA VAL 86 -5.581 -0.700 -7.726 659 HB VAL 86 HB VAL 86 -3.537 1.450 -8.498 660 1HG1 VAL 86 1HG1 VAL 86 -3.520 1.628 -6.120 661 2HG1 VAL 86 2HG1 VAL 86 -3.536 -0.133 -5.891 662 3HG1 VAL 86 3HG1 VAL 86 -2.105 0.668 -6.581 663 1HG2 VAL 86 1HG2 VAL 86 -3.495 -0.744 -9.634 664 2HG2 VAL 86 2HG2 VAL 86 -2.095 -0.606 -8.540 665 3HG2 VAL 86 3HG2 VAL 86 -3.483 -1.568 -8.088 666 H LYS 87 H LYS 87 -6.969 -0.408 -6.033 667 HA LYS 87 HA LYS 87 -8.288 2.156 -5.780 668 1HB LYS 87 1HB LYS 87 -9.597 0.215 -5.495 669 2HB LYS 87 2HB LYS 87 -8.504 -0.488 -4.298 670 1HG LYS 87 1HG LYS 87 -9.203 1.095 -2.631 671 2HG LYS 87 2HG LYS 87 -9.896 2.147 -3.864 672 1HD LYS 87 1HD LYS 87 -11.621 1.027 -2.520 673 2HD LYS 87 2HD LYS 87 -11.774 0.617 -4.223 674 1HE LYS 87 1HE LYS 87 -10.169 -1.170 -2.380 675 2HE LYS 87 2HE LYS 87 -11.935 -1.232 -2.315 676 1HZ LYS 87 1HZ LYS 87 -10.787 -2.829 -3.822 677 2HZ LYS 87 2HZ LYS 87 -12.068 -2.052 -4.436 678 3HZ LYS 87 3HZ LYS 87 -10.527 -1.609 -4.887 679 H VAL 88 H VAL 88 -8.056 3.697 -4.186 680 HA VAL 88 HA VAL 88 -5.721 3.372 -2.384 681 HB VAL 88 HB VAL 88 -4.870 4.486 -4.213 682 1HG1 VAL 88 1HG1 VAL 88 -7.279 6.331 -4.225 683 2HG1 VAL 88 2HG1 VAL 88 -5.794 6.580 -5.196 684 3HG1 VAL 88 3HG1 VAL 88 -6.799 5.166 -5.464 685 1HG2 VAL 88 1HG2 VAL 88 -4.210 5.409 -2.041 686 2HG2 VAL 88 2HG2 VAL 88 -4.196 6.663 -3.289 687 3HG2 VAL 88 3HG2 VAL 88 -5.523 6.583 -2.094 688 H ILE 89 H ILE 89 -6.689 3.047 -0.610 689 HA ILE 89 HA ILE 89 -8.871 4.639 0.507 690 HB ILE 89 HB ILE 89 -7.077 2.364 1.419 691 1HG1 ILE 89 1HG1 ILE 89 -10.060 2.586 0.785 692 2HG1 ILE 89 2HG1 ILE 89 -8.843 1.886 -0.276 693 1HG2 ILE 89 1HG2 ILE 89 -9.327 3.516 3.084 694 2HG2 ILE 89 2HG2 ILE 89 -8.212 2.190 3.501 695 3HG2 ILE 89 3HG2 ILE 89 -7.622 3.827 3.403 696 1HD1 ILE 89 1HD1 ILE 89 -8.363 0.172 1.439 697 2HD1 ILE 89 2HD1 ILE 89 -9.773 0.795 2.360 698 3HD1 ILE 89 3HD1 ILE 89 -9.995 0.120 0.729 699 H LYS 90 H LYS 90 -8.530 6.111 2.286 700 HA LYS 90 HA LYS 90 -5.867 7.340 2.523 701 1HB LYS 90 1HB LYS 90 -6.999 9.478 1.558 702 2HB LYS 90 2HB LYS 90 -6.423 8.249 0.428 703 1HG LYS 90 1HG LYS 90 -8.603 7.384 0.031 704 2HG LYS 90 2HG LYS 90 -9.299 8.261 1.418 705 1HD LYS 90 1HD LYS 90 -9.984 9.244 -0.609 706 2HD LYS 90 2HD LYS 90 -8.883 10.398 0.202 707 1HE LYS 90 1HE LYS 90 -7.106 9.889 -1.323 708 2HE LYS 90 2HE LYS 90 -7.907 8.403 -1.860 709 1HZ LYS 90 1HZ LYS 90 -9.609 9.691 -2.859 710 2HZ LYS 90 2HZ LYS 90 -8.878 11.122 -2.440 711 3HZ LYS 90 3HZ LYS 90 -8.168 10.039 -3.506 712 H GLY 91 H GLY 91 -6.213 9.546 3.701 713 1HA GLY 91 1HA GLY 91 -6.898 10.612 5.617 714 2HA GLY 91 2HA GLY 91 -8.494 9.907 5.297 715 H ALA 92 H ALA 92 -5.871 7.643 5.716 716 HA ALA 92 HA ALA 92 -7.115 6.553 8.124 717 1HB ALA 92 1HB ALA 92 -4.657 5.707 6.528 718 2HB ALA 92 2HB ALA 92 -5.557 4.717 7.715 719 3HB ALA 92 3HB ALA 92 -6.304 5.178 6.178 720 H SER 93 H SER 93 -5.066 5.696 9.717 721 HA SER 93 HA SER 93 -2.869 7.160 9.892 722 1HB SER 93 1HB SER 93 -2.922 8.565 11.684 723 2HB SER 93 2HB SER 93 -4.506 8.865 11.004 724 HG SER 93 HG SER 93 -3.728 7.422 13.282 725 H GLY 94 H GLY 94 -1.505 6.098 11.647 726 1HA GLY 94 1HA GLY 94 -1.836 4.665 13.695 727 2HA GLY 94 2HA GLY 94 -2.699 3.524 12.656 728 H THR 95 H THR 95 -1.074 1.896 13.375 729 HA THR 95 HA THR 95 1.557 2.135 12.071 730 HB THR 95 HB THR 95 1.618 -0.327 13.102 731 HG1 THR 95 1HG THR 95 0.022 -0.512 14.872 732 1HG2 THR 95 1HG2 THR 95 2.798 1.479 14.156 733 2HG2 THR 95 2HG2 THR 95 1.328 2.010 15.022 734 3HG2 THR 95 3HG2 THR 95 2.081 0.434 15.386 735 H VAL 96 H VAL 96 2.151 0.291 10.639 736 HA VAL 96 HA VAL 96 0.253 -0.180 8.640 737 HB VAL 96 HB VAL 96 2.785 -1.635 9.512 738 1HG1 VAL 96 1HG1 VAL 96 1.654 -3.507 8.614 739 2HG1 VAL 96 2HG1 VAL 96 0.883 -2.558 7.339 740 3HG1 VAL 96 3HG1 VAL 96 2.613 -2.902 7.261 741 1HG2 VAL 96 1HG2 VAL 96 2.891 0.562 8.370 742 2HG2 VAL 96 2HG2 VAL 96 3.664 -0.736 7.435 743 3HG2 VAL 96 3HG2 VAL 96 2.062 -0.137 6.968 744 H GLU 97 H GLU 97 1.195 -2.323 11.412 745 HA GLU 97 HA GLU 97 -0.483 -4.417 10.713 746 1HB GLU 97 1HB GLU 97 -0.249 -5.230 12.956 747 2HB GLU 97 2HB GLU 97 1.295 -4.629 12.350 748 1HG GLU 97 1HG GLU 97 1.233 -2.696 13.709 749 2HG GLU 97 2HG GLU 97 -0.479 -2.874 14.094 750 H GLU 98 H GLU 98 -1.488 -1.420 12.067 751 HA GLU 98 HA GLU 98 -4.023 -2.418 13.220 752 1HB GLU 98 1HB GLU 98 -2.653 -0.752 14.457 753 2HB GLU 98 2HB GLU 98 -2.760 0.368 13.096 754 1HG GLU 98 1HG GLU 98 -4.331 1.043 14.790 755 2HG GLU 98 2HG GLU 98 -5.241 0.459 13.399 756 H VAL 99 H VAL 99 -2.760 -0.084 10.782 757 HA VAL 99 HA VAL 99 -5.184 0.698 9.620 758 HB VAL 99 HB VAL 99 -2.270 0.424 8.701 759 1HG1 VAL 99 1HG1 VAL 99 -4.447 1.862 7.253 760 2HG1 VAL 99 2HG1 VAL 99 -2.699 1.966 6.877 761 3HG1 VAL 99 3HG1 VAL 99 -3.556 0.442 6.636 762 1HG2 VAL 99 1HG2 VAL 99 -3.007 2.112 10.532 763 2HG2 VAL 99 2HG2 VAL 99 -2.176 2.759 9.115 764 3HG2 VAL 99 3HG2 VAL 99 -3.984 2.861 9.261 765 H VAL 100 H VAL 100 -3.290 -2.223 9.183 766 HA VAL 100 HA VAL 100 -4.484 -3.002 6.638 767 HB VAL 100 HB VAL 100 -2.655 -4.283 8.715 768 1HG1 VAL 100 1HG1 VAL 100 -3.858 -5.651 6.288 769 2HG1 VAL 100 2HG1 VAL 100 -2.377 -6.190 7.110 770 3HG1 VAL 100 3HG1 VAL 100 -3.912 -6.178 7.984 771 1HG2 VAL 100 1HG2 VAL 100 -1.079 -4.242 6.767 772 2HG2 VAL 100 2HG2 VAL 100 -2.340 -3.448 5.791 773 3HG2 VAL 100 3HG2 VAL 100 -1.667 -2.626 7.170 774 H ASN 101 H ASN 101 -4.772 -3.916 10.097 775 HA ASN 101 HA ASN 101 -6.939 -5.745 9.811 776 1HB ASN 101 1HB ASN 101 -5.800 -3.923 11.981 777 2HB ASN 101 2HB ASN 101 -7.338 -4.553 12.250 778 1HD2 ASN 101 1HD2 ASN 101 -5.541 -5.174 14.057 779 2HD2 ASN 101 2HD2 ASN 101 -4.984 -6.828 13.969 780 H GLN 102 H GLN 102 -6.943 -2.169 10.328 781 HA GLN 102 HA GLN 102 -9.691 -1.852 10.662 782 1HB GLN 102 1HB GLN 102 -7.809 0.111 9.252 783 2HB GLN 102 2HB GLN 102 -9.451 0.443 9.772 784 1HG GLN 102 1HG GLN 102 -8.791 0.082 12.129 785 2HG GLN 102 2HG GLN 102 -7.138 -0.190 11.635 786 1HE2 GLN 102 1HE2 GLN 102 -6.388 1.746 12.852 787 2HE2 GLN 102 2HE2 GLN 102 -6.826 3.330 12.273 788 H TYR 103 H TYR 103 -7.785 -1.995 7.689 789 HA TYR 103 HA TYR 103 -9.982 -1.462 5.865 790 1HB TYR 103 1HB TYR 103 -7.934 -0.804 5.091 791 2HB TYR 103 2HB TYR 103 -7.075 -2.200 5.683 792 HD1 TYR 103 1HD TYR 103 -9.719 -1.197 3.268 793 HD2 TYR 103 2HD TYR 103 -6.705 -4.137 4.238 794 HE1 TYR 103 1HE TYR 103 -10.114 -2.349 1.091 795 HE2 TYR 103 2HE TYR 103 -7.017 -5.198 2.074 796 HH TYR 103 HH TYR 103 -9.863 -4.541 0.235 797 H LEU 104 H LEU 104 -8.281 -4.494 6.917 798 HA LEU 104 HA LEU 104 -9.798 -6.207 5.293 799 1HB LEU 104 1HB LEU 104 -8.364 -6.554 7.965 800 2HB LEU 104 2HB LEU 104 -9.428 -7.824 7.367 801 HG LEU 104 HG LEU 104 -8.180 -7.651 5.155 802 1HD1 LEU 104 1HD1 LEU 104 -6.865 -5.642 5.611 803 2HD1 LEU 104 2HD1 LEU 104 -6.006 -6.504 6.898 804 3HD1 LEU 104 3HD1 LEU 104 -5.841 -7.014 5.195 805 1HD2 LEU 104 1HD2 LEU 104 -6.772 -8.709 7.604 806 2HD2 LEU 104 2HD2 LEU 104 -7.978 -9.601 6.597 807 3HD2 LEU 104 3HD2 LEU 104 -6.399 -9.171 5.909 808 H SER 105 H SER 105 -10.565 -4.559 8.264 809 HA SER 105 HA SER 105 -13.036 -6.006 8.854 810 1HB SER 105 1HB SER 105 -11.915 -3.374 9.911 811 2HB SER 105 2HB SER 105 -13.311 -4.243 10.571 812 HG SER 105 HG SER 105 -10.618 -5.177 10.406 813 H GLY 106 H GLY 106 -12.349 -3.813 6.365 814 1HA GLY 106 1HA GLY 106 -13.654 -2.616 4.959 815 2HA GLY 106 2HA GLY 106 -15.073 -3.385 5.672 816 H GLN 107 H GLN 107 -12.911 -1.532 7.766 817 HA GLN 107 HA GLN 107 -15.070 0.447 8.220 818 1HB GLN 107 1HB GLN 107 -12.361 0.074 9.571 819 2HB GLN 107 2HB GLN 107 -13.557 1.300 9.965 820 1HG GLN 107 1HG GLN 107 -15.151 -0.925 10.076 821 2HG GLN 107 2HG GLN 107 -13.601 -1.642 10.511 822 1HE2 GLN 107 1HE2 GLN 107 -16.308 0.066 11.667 823 2HE2 GLN 107 2HE2 GLN 107 -15.666 0.601 13.202 824 H LEU 108 H LEU 108 -11.628 0.413 7.374 825 HA LEU 108 HA LEU 108 -11.430 3.109 6.498 826 1HB LEU 108 1HB LEU 108 -9.860 0.575 6.278 827 2HB LEU 108 2HB LEU 108 -9.562 1.706 4.997 828 HG LEU 108 HG LEU 108 -9.277 2.273 7.942 829 1HD1 LEU 108 1HD1 LEU 108 -6.851 2.241 7.478 830 2HD1 LEU 108 2HD1 LEU 108 -7.602 0.695 7.065 831 3HD1 LEU 108 3HD1 LEU 108 -7.208 1.832 5.774 832 1HD2 LEU 108 1HD2 LEU 108 -9.761 4.377 6.726 833 2HD2 LEU 108 2HD2 LEU 108 -8.133 4.297 7.373 834 3HD2 LEU 108 3HD2 LEU 108 -8.402 4.019 5.630 835 H LYS 109 H LYS 109 -11.466 4.033 4.428 836 HA LYS 109 HA LYS 109 -12.424 2.480 2.178 837 1HB LYS 109 1HB LYS 109 -14.326 3.466 3.839 838 2HB LYS 109 2HB LYS 109 -13.989 4.958 2.982 839 1HG LYS 109 1HG LYS 109 -15.885 3.724 2.039 840 2HG LYS 109 2HG LYS 109 -14.612 3.879 0.844 841 1HD LYS 109 1HD LYS 109 -14.320 1.633 0.680 842 2HD LYS 109 2HD LYS 109 -14.274 1.401 2.431 843 1HE LYS 109 1HE LYS 109 -16.341 0.798 2.639 844 2HE LYS 109 2HE LYS 109 -16.952 2.065 1.589 845 1HZ LYS 109 1HZ LYS 109 -16.272 0.724 -0.327 846 2HZ LYS 109 2HZ LYS 109 -15.843 -0.520 0.709 847 3HZ LYS 109 3HZ LYS 109 -17.402 -0.057 0.598 848 H ASP 110 H ASP 110 -12.690 3.811 0.215 849 HA ASP 110 HA ASP 110 -10.526 5.739 -0.091 850 1HB ASP 110 1HB ASP 110 -10.704 5.082 -2.479 851 2HB ASP 110 2HB ASP 110 -10.443 3.685 -1.453 852 H SER 111 H SER 111 -13.256 6.367 1.065 853 HA SER 111 HA SER 111 -15.044 7.219 -0.952 854 1HB SER 111 1HB SER 111 -16.354 7.921 1.094 855 2HB SER 111 2HB SER 111 -15.786 6.248 1.112 856 HG SER 111 HG SER 111 -15.340 7.113 3.080 857 H ASP 112 H ASP 112 -12.334 8.858 -0.464 858 HA ASP 112 HA ASP 112 -13.571 11.412 0.486 859 1HB ASP 112 1HB ASP 112 -12.448 10.138 2.213 860 2HB ASP 112 2HB ASP 112 -10.966 10.105 1.280 861 H TYR 113 H TYR 113 -13.862 11.879 -1.716 862 HA TYR 113 HA TYR 113 -11.668 13.287 -3.010 863 1HB TYR 113 1HB TYR 113 -11.212 10.874 -3.530 864 2HB TYR 113 2HB TYR 113 -12.779 10.740 -4.269 865 HD1 TYR 113 1HD TYR 113 -9.354 12.002 -4.564 866 HD2 TYR 113 2HD TYR 113 -13.209 11.818 -6.484 867 HE1 TYR 113 1HE TYR 113 -8.305 12.631 -6.730 868 HE2 TYR 113 2HE TYR 113 -12.168 12.404 -8.651 869 HH TYR 113 HH TYR 113 -9.942 12.219 -9.714 870 H GLU 114 H GLU 114 -13.218 14.889 -2.632 871 HA GLU 114 HA GLU 114 -14.222 15.889 -4.870 872 1HB GLU 114 1HB GLU 114 -16.326 14.174 -3.706 873 2HB GLU 114 2HB GLU 114 -16.859 15.828 -3.787 874 1HG GLU 114 1HG GLU 114 -15.581 14.476 -6.192 875 2HG GLU 114 2HG GLU 114 -17.317 14.412 -5.855 876 H VAL 115 H VAL 115 -15.179 17.983 -4.549 877 HA VAL 115 HA VAL 115 -15.845 18.784 -1.857 878 HB VAL 115 HB VAL 115 -13.821 20.586 -3.216 879 1HG1 VAL 115 1HG1 VAL 115 -14.847 20.391 -0.362 880 2HG1 VAL 115 2HG1 VAL 115 -13.743 21.632 -1.006 881 3HG1 VAL 115 3HG1 VAL 115 -15.423 21.551 -1.570 882 1HG2 VAL 115 1HG2 VAL 115 -12.526 18.599 -2.689 883 2HG2 VAL 115 2HG2 VAL 115 -12.141 19.906 -1.573 884 3HG2 VAL 115 3HG2 VAL 115 -13.185 18.591 -1.037 885 H HIS 116 H HIS 116 -15.068 20.912 -4.680 886 HA HIS 116 HA HIS 116 -17.977 21.169 -5.189 887 1HB HIS 116 1HB HIS 116 -17.399 22.803 -3.399 888 2HB HIS 116 2HB HIS 116 -16.214 23.547 -4.472 889 HD1 HIS 116 1HD HIS 116 -20.047 22.965 -4.230 890 HD2 HIS 116 2HD HIS 116 -17.146 25.336 -6.213 891 HE1 HIS 116 1HE HIS 116 -21.327 24.764 -5.540 892 HE2 HIS 116 2HE HIS 116 -19.522 26.232 -6.720 893 H ASP 117 H ASP 117 -14.749 22.485 -6.241 894 HA ASP 117 HA ASP 117 -15.331 21.536 -8.883 895 1HB ASP 117 1HB ASP 117 -16.402 24.116 -8.451 896 2HB ASP 117 2HB ASP 117 -14.903 24.400 -9.336 897 H HIS 118 H HIS 118 -13.353 23.963 -7.116 898 HA HIS 118 HA HIS 118 -11.122 24.221 -6.907 899 1HB HIS 118 1HB HIS 118 -11.401 21.346 -7.133 900 2HB HIS 118 2HB HIS 118 -10.023 21.772 -8.073 901 HD1 HIS 118 1HD HIS 118 -9.566 24.243 -5.451 902 HD2 HIS 118 2HD HIS 118 -9.471 19.999 -5.662 903 HE1 HIS 118 1HE HIS 118 -8.261 23.445 -3.443 904 HE2 HIS 118 2HE HIS 118 -8.182 20.872 -3.548 905 H HIS 119 H HIS 119 -8.915 23.740 -8.445 906 HA HIS 119 HA HIS 119 -8.822 25.703 -10.232 907 1HB HIS 119 1HB HIS 119 -7.106 23.655 -9.477 908 2HB HIS 119 2HB HIS 119 -7.338 23.284 -11.160 909 HD1 HIS 119 1HD HIS 119 -5.365 24.320 -12.499 910 HD2 HIS 119 2HD HIS 119 -6.730 26.686 -9.249 911 HE1 HIS 119 1HE HIS 119 -3.930 26.450 -12.452 912 HE2 HIS 119 2HE HIS 119 -4.789 27.909 -10.561 913 H HIS 120 H HIS 120 -9.642 26.253 -12.217 914 HA HIS 120 HA HIS 120 -11.190 24.183 -13.671 915 1HB HIS 120 1HB HIS 120 -12.092 26.562 -13.001 916 2HB HIS 120 2HB HIS 120 -11.171 27.117 -14.402 917 HD1 HIS 120 1HD HIS 120 -11.975 25.844 -16.852 918 HD2 HIS 120 2HD HIS 120 -14.179 24.966 -13.327 919 HE1 HIS 120 1HE HIS 120 -14.081 24.592 -17.566 920 HE2 HIS 120 2HE HIS 120 -15.332 23.962 -15.395 921 H HIS 121 H HIS 121 -10.122 23.191 -15.387 922 HA HIS 121 HA HIS 121 -7.679 24.330 -16.510 923 1HB HIS 121 1HB HIS 121 -8.107 21.932 -16.660 924 2HB HIS 121 2HB HIS 121 -9.550 22.222 -17.638 925 HD1 HIS 121 1HD HIS 121 -8.888 21.402 -19.970 926 HD2 HIS 121 2HD HIS 121 -5.778 23.427 -17.939 927 HE1 HIS 121 1HE HIS 121 -6.814 21.385 -21.531 928 HE2 HIS 121 2HE HIS 121 -4.934 22.561 -20.226 929 H GLU 122 H GLU 122 -7.402 25.454 -18.367 930 HA GLU 122 HA GLU 122 -9.567 27.065 -19.439 931 1HB GLU 122 1HB GLU 122 -7.724 28.039 -20.792 932 2HB GLU 122 2HB GLU 122 -7.565 28.245 -19.063 933 1HG GLU 122 1HG GLU 122 -6.033 26.026 -20.468 934 2HG GLU 122 2HG GLU 122 -5.483 27.689 -20.520 935 H HIS 123 H HIS 123 -10.932 26.017 -20.810 936 HA HIS 123 HA HIS 123 -9.851 25.399 -23.351 937 1HB HIS 123 1HB HIS 123 -10.093 23.186 -23.528 938 2HB HIS 123 2HB HIS 123 -10.229 23.086 -21.794 939 HD1 HIS 123 1HD HIS 123 -13.355 24.053 -21.552 940 HD2 HIS 123 2HD HIS 123 -11.719 21.326 -24.345 941 HE1 HIS 123 1HE HIS 123 -15.265 22.480 -22.255 942 HE2 HIS 123 2HE HIS 123 -14.257 20.875 -24.020 943 H HIS 124 H HIS 124 -11.429 26.008 -24.837 944 HA HIS 124 HA HIS 124 -13.162 27.397 -25.442 945 1HB HIS 124 1HB HIS 124 -13.566 25.084 -26.257 946 2HB HIS 124 2HB HIS 124 -14.549 24.767 -24.819 947 HD1 HIS 124 1HD HIS 124 -16.425 26.973 -24.570 948 HD2 HIS 124 2HD HIS 124 -15.111 25.642 -28.340 949 HE1 HIS 124 1HE HIS 124 -18.212 27.810 -26.321 950 HE2 HIS 124 2HE HIS 124 -17.370 26.961 -28.617 Start of MODEL 16 1 1H MET 1 1H MET 1 -3.819 -9.876 -5.499 2 HA MET 1 HA MET 1 -3.611 -7.515 -5.013 3 1HB MET 1 1HB MET 1 -5.658 -8.691 -4.349 4 2HB MET 1 2HB MET 1 -4.964 -9.079 -2.793 5 1HG MET 1 1HG MET 1 -5.493 -7.017 -1.949 6 2HG MET 1 2HG MET 1 -4.791 -6.201 -3.330 7 1HE MET 1 1HE MET 1 -7.224 -4.676 -2.152 8 2HE MET 1 2HE MET 1 -6.199 -4.325 -3.566 9 3HE MET 1 3HE MET 1 -7.958 -4.279 -3.723 10 H ILE 2 H ILE 2 -2.446 -5.903 -3.989 11 HA ILE 2 HA ILE 2 -0.945 -6.536 -1.543 12 HB ILE 2 HB ILE 2 0.363 -5.062 -3.813 13 1HG1 ILE 2 1HG1 ILE 2 0.412 -8.047 -3.344 14 2HG1 ILE 2 2HG1 ILE 2 -0.041 -7.138 -4.794 15 1HG2 ILE 2 1HG2 ILE 2 1.210 -4.855 -1.443 16 2HG2 ILE 2 2HG2 ILE 2 1.680 -6.537 -1.550 17 3HG2 ILE 2 3HG2 ILE 2 2.351 -5.347 -2.693 18 1HD1 ILE 2 1HD1 ILE 2 2.299 -6.408 -5.055 19 2HD1 ILE 2 2HD1 ILE 2 2.765 -7.479 -3.716 20 3HD1 ILE 2 3HD1 ILE 2 2.076 -8.153 -5.209 21 H ILE 3 H ILE 3 -0.666 -4.639 -0.321 22 HA ILE 3 HA ILE 3 -2.300 -2.250 -0.949 23 HB ILE 3 HB ILE 3 -1.893 -3.854 1.610 24 1HG1 ILE 3 1HG1 ILE 3 -4.637 -3.322 0.498 25 2HG1 ILE 3 2HG1 ILE 3 -3.639 -4.478 -0.335 26 1HG2 ILE 3 1HG2 ILE 3 -3.471 -1.290 1.176 27 2HG2 ILE 3 2HG2 ILE 3 -3.507 -2.312 2.643 28 3HG2 ILE 3 3HG2 ILE 3 -2.022 -1.485 2.187 29 1HD1 ILE 3 1HD1 ILE 3 -4.451 -4.504 2.623 30 2HD1 ILE 3 2HD1 ILE 3 -4.957 -5.655 1.370 31 3HD1 ILE 3 3HD1 ILE 3 -3.271 -5.638 1.943 32 H ALA 4 H ALA 4 -0.778 -0.736 -1.253 33 HA ALA 4 HA ALA 4 1.737 -0.774 0.411 34 1HB ALA 4 1HB ALA 4 2.555 0.125 -1.461 35 2HB ALA 4 2HB ALA 4 1.015 0.877 -1.951 36 3HB ALA 4 3HB ALA 4 2.061 1.591 -0.698 37 H ILE 5 H ILE 5 2.296 0.714 1.927 38 HA ILE 5 HA ILE 5 0.312 2.733 2.766 39 HB ILE 5 HB ILE 5 1.590 0.645 4.580 40 1HG1 ILE 5 1HG1 ILE 5 -1.341 1.414 4.395 41 2HG1 ILE 5 2HG1 ILE 5 -0.674 0.213 3.290 42 1HG2 ILE 5 1HG2 ILE 5 1.707 2.876 5.655 43 2HG2 ILE 5 2HG2 ILE 5 -0.003 3.166 5.284 44 3HG2 ILE 5 3HG2 ILE 5 0.465 1.911 6.446 45 1HD1 ILE 5 1HD1 ILE 5 -0.596 -0.117 6.284 46 2HD1 ILE 5 2HD1 ILE 5 -1.787 -0.828 5.179 47 3HD1 ILE 5 3HD1 ILE 5 -0.089 -1.275 5.018 48 HA PRO 6 HA PRO 6 4.439 4.561 2.355 49 1HB PRO 6 1HB PRO 6 3.779 7.189 2.436 50 2HB PRO 6 2HB PRO 6 3.333 6.149 1.031 51 1HG PRO 6 1HG PRO 6 1.564 7.056 3.285 52 2HG PRO 6 2HG PRO 6 1.220 6.957 1.544 53 1HD PRO 6 1HD PRO 6 0.549 4.993 3.432 54 2HD PRO 6 2HD PRO 6 0.731 4.688 1.683 55 H VAL 7 H VAL 7 5.791 4.370 4.184 56 HA VAL 7 HA VAL 7 4.729 5.353 6.795 57 HB VAL 7 HB VAL 7 6.187 3.554 7.761 58 1HG1 VAL 7 1HG1 VAL 7 4.209 1.891 6.613 59 2HG1 VAL 7 2HG1 VAL 7 4.261 2.698 8.208 60 3HG1 VAL 7 3HG1 VAL 7 3.507 3.497 6.818 61 1HG2 VAL 7 1HG2 VAL 7 6.176 2.383 4.966 62 2HG2 VAL 7 2HG2 VAL 7 7.569 2.856 5.989 63 3HG2 VAL 7 3HG2 VAL 7 6.558 1.504 6.457 64 H SER 8 H SER 8 6.286 6.051 8.353 65 HA SER 8 HA SER 8 8.325 7.708 7.086 66 1HB SER 8 1HB SER 8 8.893 8.203 9.546 67 2HB SER 8 2HB SER 8 7.361 8.755 8.860 68 HG SER 8 HG SER 8 7.702 7.397 11.028 69 H GLU 9 H GLU 9 8.534 4.535 8.961 70 HA GLU 9 HA GLU 9 11.438 4.572 8.449 71 1HB GLU 9 1HB GLU 9 9.909 4.152 11.051 72 2HB GLU 9 2HB GLU 9 11.631 3.808 10.826 73 1HG GLU 9 1HG GLU 9 12.001 6.211 10.230 74 2HG GLU 9 2HG GLU 9 10.294 6.529 10.512 75 H ASN 10 H ASN 10 12.350 2.451 8.810 76 HA ASN 10 HA ASN 10 10.674 0.342 7.612 77 1HB ASN 10 1HB ASN 10 13.024 0.810 6.742 78 2HB ASN 10 2HB ASN 10 13.666 0.244 8.280 79 1HD2 ASN 10 1HD2 ASN 10 13.010 -0.775 5.156 80 2HD2 ASN 10 2HD2 ASN 10 12.704 -2.444 5.428 81 H ARG 11 H ARG 11 9.304 -0.089 9.415 82 HA ARG 11 HA ARG 11 10.711 -1.340 11.689 83 1HB ARG 11 1HB ARG 11 8.371 0.579 12.044 84 2HB ARG 11 2HB ARG 11 9.196 -0.315 13.297 85 1HG ARG 11 1HG ARG 11 11.325 0.901 12.486 86 2HG ARG 11 2HG ARG 11 10.230 1.999 11.669 87 1HD ARG 11 1HD ARG 11 9.306 2.747 13.763 88 2HD ARG 11 2HD ARG 11 10.043 1.403 14.654 89 HE ARG 11 HE ARG 11 11.357 3.872 13.705 90 1HH1 ARG 11 2HH2 ARG 11 11.978 0.559 14.869 91 2HH1 ARG 11 1HH2 ARG 11 13.598 0.902 15.361 92 1HH2 ARG 11 2HH1 ARG 11 13.426 4.282 14.201 93 2HH2 ARG 11 1HH1 ARG 11 14.512 3.139 14.934 94 H GLY 12 H GLY 12 9.461 -2.328 9.285 95 1HA GLY 12 1HA GLY 12 8.183 -4.003 8.535 96 2HA GLY 12 2HA GLY 12 8.397 -4.738 10.130 97 H LYS 13 H LYS 13 6.732 -4.750 11.513 98 HA LYS 13 HA LYS 13 4.065 -4.241 10.408 99 1HB LYS 13 1HB LYS 13 5.034 -5.399 13.046 100 2HB LYS 13 2HB LYS 13 3.377 -5.481 12.481 101 1HG LYS 13 1HG LYS 13 3.949 -6.882 10.604 102 2HG LYS 13 2HG LYS 13 5.681 -6.690 10.883 103 1HD LYS 13 1HD LYS 13 3.823 -7.986 12.885 104 2HD LYS 13 2HD LYS 13 4.756 -8.887 11.666 105 1HE LYS 13 1HE LYS 13 6.873 -7.971 12.539 106 2HE LYS 13 2HE LYS 13 5.972 -6.983 13.697 107 1HZ LYS 13 1HZ LYS 13 6.222 -9.895 13.665 108 2HZ LYS 13 2HZ LYS 13 6.705 -8.839 14.861 109 3HZ LYS 13 3HZ LYS 13 5.101 -9.105 14.586 110 H ASP 14 H ASP 14 6.190 -3.069 12.867 111 HA ASP 14 HA ASP 14 4.378 -1.424 14.370 112 1HB ASP 14 1HB ASP 14 7.309 -0.750 14.195 113 2HB ASP 14 2HB ASP 14 6.228 -0.627 15.551 114 H SER 15 H SER 15 5.966 -0.972 11.319 115 HA SER 15 HA SER 15 6.790 1.566 10.973 116 1HB SER 15 1HB SER 15 5.344 -0.278 9.185 117 2HB SER 15 2HB SER 15 5.760 1.363 8.676 118 HG SER 15 HG SER 15 7.828 1.016 8.836 119 HA PRO 16 HA PRO 16 3.116 3.918 12.195 120 1HB PRO 16 1HB PRO 16 4.416 6.331 12.604 121 2HB PRO 16 2HB PRO 16 4.242 5.029 13.818 122 1HG PRO 16 1HG PRO 16 6.630 5.686 12.135 123 2HG PRO 16 2HG PRO 16 6.575 5.165 13.830 124 1HD PRO 16 1HD PRO 16 7.194 3.422 11.802 125 2HD PRO 16 2HD PRO 16 6.422 2.922 13.199 126 H ILE 17 H ILE 17 1.740 4.921 10.683 127 HA ILE 17 HA ILE 17 2.616 5.091 8.016 128 HB ILE 17 HB ILE 17 0.318 4.598 8.795 129 1HG1 ILE 17 1HG1 ILE 17 0.380 6.880 6.803 130 2HG1 ILE 17 2HG1 ILE 17 0.870 5.227 6.446 131 1HG2 ILE 17 1HG2 ILE 17 -1.173 6.274 9.505 132 2HG2 ILE 17 2HG2 ILE 17 0.242 6.422 10.527 133 3HG2 ILE 17 3HG2 ILE 17 -0.000 7.594 9.202 134 1HD1 ILE 17 1HD1 ILE 17 -1.419 4.435 7.057 135 2HD1 ILE 17 2HD1 ILE 17 -1.904 6.129 7.310 136 3HD1 ILE 17 3HD1 ILE 17 -1.409 5.577 5.699 137 H SER 18 H SER 18 3.062 6.789 6.632 138 HA SER 18 HA SER 18 4.108 9.284 7.786 139 1HB SER 18 1HB SER 18 5.216 7.807 5.905 140 2HB SER 18 2HB SER 18 3.968 8.512 4.859 141 HG SER 18 HG SER 18 6.170 9.748 6.155 142 H GLU 19 H GLU 19 3.524 11.120 5.944 143 HA GLU 19 HA GLU 19 0.536 11.323 6.001 144 1HB GLU 19 1HB GLU 19 2.755 13.338 6.131 145 2HB GLU 19 2HB GLU 19 1.101 13.817 5.712 146 1HG GLU 19 1HG GLU 19 0.292 13.037 7.867 147 2HG GLU 19 2HG GLU 19 1.889 12.376 8.277 148 H HIS 20 H HIS 20 3.423 11.932 3.937 149 HA HIS 20 HA HIS 20 1.631 12.610 1.637 150 1HB HIS 20 1HB HIS 20 4.489 13.596 1.968 151 2HB HIS 20 2HB HIS 20 3.196 14.269 1.009 152 HD1 HIS 20 1HD HIS 20 4.410 14.032 4.693 153 HD2 HIS 20 2HD HIS 20 1.885 16.303 2.147 154 HE1 HIS 20 1HE HIS 20 3.663 16.061 6.018 155 HE2 HIS 20 2HE HIS 20 2.254 17.516 4.487 156 H PHE 21 H PHE 21 1.538 10.755 0.644 157 HA PHE 21 HA PHE 21 3.286 8.741 0.049 158 1HB PHE 21 1HB PHE 21 0.927 8.996 -0.679 159 2HB PHE 21 2HB PHE 21 1.413 10.255 -1.810 160 HD1 PHE 21 1HD PHE 21 1.207 6.673 -1.174 161 HD2 PHE 21 2HD PHE 21 2.869 9.658 -3.823 162 HE1 PHE 21 1HE PHE 21 1.471 5.002 -2.917 163 HE2 PHE 21 2HE PHE 21 3.155 7.930 -5.579 164 HZ PHE 21 HZ PHE 21 2.418 5.606 -5.156 165 H GLY 22 H GLY 22 3.196 11.972 -1.568 166 1HA GLY 22 1HA GLY 22 4.913 11.322 -3.674 167 2HA GLY 22 2HA GLY 22 4.598 12.955 -3.089 168 H ARG 23 H ARG 23 5.844 11.941 -0.343 169 HA ARG 23 HA ARG 23 8.708 11.728 -1.149 170 1HB ARG 23 1HB ARG 23 9.340 13.370 0.519 171 2HB ARG 23 2HB ARG 23 8.213 14.137 -0.582 172 1HG ARG 23 1HG ARG 23 6.840 14.711 1.102 173 2HG ARG 23 2HG ARG 23 6.660 13.035 1.571 174 1HD ARG 23 1HD ARG 23 7.543 13.624 3.505 175 2HD ARG 23 2HD ARG 23 9.100 13.535 2.709 176 HE ARG 23 HE ARG 23 9.163 15.885 2.477 177 1HH1 ARG 23 2HH2 ARG 23 7.060 14.740 5.022 178 2HH1 ARG 23 1HH2 ARG 23 6.524 16.309 5.539 179 1HH2 ARG 23 2HH1 ARG 23 8.565 18.028 3.214 180 2HH2 ARG 23 1HH1 ARG 23 7.474 18.191 4.536 181 H ALA 24 H ALA 24 6.868 9.620 -0.427 182 HA ALA 24 HA ALA 24 7.124 9.042 2.377 183 1HB ALA 24 1HB ALA 24 6.430 6.767 1.693 184 2HB ALA 24 2HB ALA 24 5.393 8.019 0.981 185 3HB ALA 24 3HB ALA 24 6.621 7.219 -0.016 186 HA PRO 25 HA PRO 25 11.464 7.763 1.899 187 1HB PRO 25 1HB PRO 25 11.978 6.923 4.459 188 2HB PRO 25 2HB PRO 25 11.873 8.629 3.980 189 1HG PRO 25 1HG PRO 25 9.730 6.932 5.221 190 2HG PRO 25 2HG PRO 25 10.223 8.571 5.698 191 1HD PRO 25 1HD PRO 25 8.059 8.094 4.122 192 2HD PRO 25 2HD PRO 25 9.105 9.526 3.862 193 H TYR 26 H TYR 26 8.805 5.624 2.901 194 HA TYR 26 HA TYR 26 10.151 3.340 1.636 195 1HB TYR 26 1HB TYR 26 8.861 3.203 4.375 196 2HB TYR 26 2HB TYR 26 9.586 1.864 3.499 197 HD1 TYR 26 1HD TYR 26 12.008 1.501 3.574 198 HD2 TYR 26 2HD TYR 26 10.222 4.915 5.487 199 HE1 TYR 26 1HE TYR 26 14.193 2.060 4.676 200 HE2 TYR 26 2HE TYR 26 12.377 5.484 6.535 201 HH TYR 26 HH TYR 26 14.670 4.969 6.670 202 H PHE 27 H PHE 27 8.534 1.684 1.146 203 HA PHE 27 HA PHE 27 5.658 2.488 1.410 204 1HB PHE 27 1HB PHE 27 6.980 1.290 -1.059 205 2HB PHE 27 2HB PHE 27 5.289 1.223 -0.789 206 HD1 PHE 27 1HD PHE 27 4.372 3.785 0.118 207 HD2 PHE 27 2HD PHE 27 7.519 2.930 -2.692 208 HE1 PHE 27 1HE PHE 27 3.983 5.948 -1.009 209 HE2 PHE 27 2HE PHE 27 7.105 5.078 -3.828 210 HZ PHE 27 HZ PHE 27 5.324 6.623 -2.975 211 H ALA 28 H ALA 28 4.810 1.032 2.865 212 HA ALA 28 HA ALA 28 5.940 -1.697 3.004 213 1HB ALA 28 1HB ALA 28 4.317 -1.915 4.890 214 2HB ALA 28 2HB ALA 28 5.458 -0.583 5.129 215 3HB ALA 28 3HB ALA 28 3.786 -0.246 4.624 216 H PHE 29 H PHE 29 5.308 -2.552 1.011 217 HA PHE 29 HA PHE 29 2.474 -2.642 0.183 218 1HB PHE 29 1HB PHE 29 5.085 -3.213 -1.077 219 2HB PHE 29 2HB PHE 29 3.851 -4.376 -1.450 220 HD1 PHE 29 1HD PHE 29 5.375 -1.882 -2.951 221 HD2 PHE 29 2HD PHE 29 1.301 -2.805 -1.893 222 HE1 PHE 29 1HE PHE 29 4.483 -0.465 -4.815 223 HE2 PHE 29 2HE PHE 29 0.496 -1.117 -3.399 224 HZ PHE 29 HZ PHE 29 2.039 0.040 -4.939 225 H VAL 30 H VAL 30 1.394 -3.785 1.719 226 HA VAL 30 HA VAL 30 2.446 -6.420 2.586 227 HB VAL 30 HB VAL 30 -0.161 -5.016 3.408 228 1HG1 VAL 30 1HG1 VAL 30 1.555 -7.141 4.770 229 2HG1 VAL 30 2HG1 VAL 30 0.095 -6.400 5.465 230 3HG1 VAL 30 3HG1 VAL 30 -0.025 -7.392 4.014 231 1HG2 VAL 30 1HG2 VAL 30 1.530 -3.398 3.997 232 2HG2 VAL 30 2HG2 VAL 30 1.121 -4.256 5.475 233 3HG2 VAL 30 3HG2 VAL 30 2.622 -4.652 4.614 234 H LYS 31 H LYS 31 1.478 -8.320 1.937 235 HA LYS 31 HA LYS 31 -0.289 -8.171 -0.443 236 1HB LYS 31 1HB LYS 31 1.063 -10.523 0.926 237 2HB LYS 31 2HB LYS 31 0.135 -10.585 -0.590 238 1HG LYS 31 1HG LYS 31 1.848 -8.639 -1.260 239 2HG LYS 31 2HG LYS 31 2.785 -9.313 0.045 240 1HD LYS 31 1HD LYS 31 3.562 -10.377 -1.919 241 2HD LYS 31 2HD LYS 31 2.549 -11.585 -1.091 242 1HE LYS 31 1HE LYS 31 0.934 -11.548 -2.759 243 2HE LYS 31 2HE LYS 31 1.064 -9.804 -2.950 244 1HZ LYS 31 1HZ LYS 31 2.849 -11.797 -4.176 245 2HZ LYS 31 2HZ LYS 31 1.791 -10.807 -4.939 246 3HZ LYS 31 3HZ LYS 31 3.129 -10.188 -4.217 247 H VAL 32 H VAL 32 -1.786 -10.530 -0.077 248 HA VAL 32 HA VAL 32 -2.893 -10.640 2.515 249 HB VAL 32 HB VAL 32 -4.175 -8.674 1.653 250 1HG1 VAL 32 1HG1 VAL 32 -5.686 -8.794 -0.169 251 2HG1 VAL 32 2HG1 VAL 32 -4.118 -9.371 -0.760 252 3HG1 VAL 32 3HG1 VAL 32 -5.397 -10.543 -0.400 253 1HG2 VAL 32 1HG2 VAL 32 -6.412 -9.422 2.140 254 2HG2 VAL 32 2HG2 VAL 32 -5.925 -11.122 2.022 255 3HG2 VAL 32 3HG2 VAL 32 -5.265 -10.062 3.303 256 H LYS 33 H LYS 33 -3.929 -12.611 2.754 257 HA LYS 33 HA LYS 33 -4.438 -14.357 0.431 258 1HB LYS 33 1HB LYS 33 -2.128 -14.927 1.045 259 2HB LYS 33 2HB LYS 33 -2.582 -15.020 2.754 260 1HG LYS 33 1HG LYS 33 -4.264 -16.889 1.392 261 2HG LYS 33 2HG LYS 33 -2.707 -16.968 0.589 262 1HD LYS 33 1HD LYS 33 -2.486 -18.547 2.320 263 2HD LYS 33 2HD LYS 33 -1.681 -17.131 2.992 264 1HE LYS 33 1HE LYS 33 -3.880 -16.544 4.143 265 2HE LYS 33 2HE LYS 33 -4.561 -18.035 3.499 266 1HZ LYS 33 1HZ LYS 33 -3.770 -18.604 5.632 267 2HZ LYS 33 2HZ LYS 33 -2.563 -19.138 4.667 268 3HZ LYS 33 3HZ LYS 33 -2.380 -17.723 5.477 269 H ASN 34 H ASN 34 -6.421 -15.141 0.795 270 HA ASN 34 HA ASN 34 -8.346 -15.694 1.825 271 1HB ASN 34 1HB ASN 34 -6.486 -17.022 3.777 272 2HB ASN 34 2HB ASN 34 -8.182 -17.388 3.515 273 1HD2 ASN 34 1HD2 ASN 34 -6.258 -19.477 3.118 274 2HD2 ASN 34 2HD2 ASN 34 -6.028 -19.725 1.405 275 H ASN 35 H ASN 35 -7.597 -13.075 2.463 276 HA ASN 35 HA ASN 35 -8.256 -11.288 3.643 277 1HB ASN 35 1HB ASN 35 -10.280 -12.984 4.284 278 2HB ASN 35 2HB ASN 35 -9.563 -12.694 5.887 279 1HD2 ASN 35 1HD2 ASN 35 -9.779 -10.582 6.810 280 2HD2 ASN 35 2HD2 ASN 35 -10.784 -9.327 6.121 281 H ALA 36 H ALA 36 -5.826 -13.119 4.535 282 HA ALA 36 HA ALA 36 -5.308 -11.711 7.078 283 1HB ALA 36 1HB ALA 36 -4.480 -14.511 6.191 284 2HB ALA 36 2HB ALA 36 -3.842 -13.672 7.622 285 3HB ALA 36 3HB ALA 36 -5.553 -14.089 7.539 286 H ILE 37 H ILE 37 -2.654 -11.669 7.261 287 HA ILE 37 HA ILE 37 -2.148 -9.643 5.481 288 HB ILE 37 HB ILE 37 -0.721 -11.095 7.688 289 1HG1 ILE 37 1HG1 ILE 37 -0.709 -8.956 8.768 290 2HG1 ILE 37 2HG1 ILE 37 -1.163 -8.115 7.288 291 1HG2 ILE 37 1HG2 ILE 37 1.202 -10.765 6.253 292 2HG2 ILE 37 2HG2 ILE 37 0.750 -9.070 5.975 293 3HG2 ILE 37 3HG2 ILE 37 1.249 -9.611 7.586 294 1HD1 ILE 37 1HD1 ILE 37 -3.009 -8.301 8.950 295 2HD1 ILE 37 2HD1 ILE 37 -3.418 -9.049 7.403 296 3HD1 ILE 37 3HD1 ILE 37 -2.962 -10.065 8.787 297 H ALA 38 H ALA 38 -1.373 -12.979 5.084 298 HA ALA 38 HA ALA 38 -0.089 -14.218 3.720 299 1HB ALA 38 1HB ALA 38 0.391 -13.406 1.415 300 2HB ALA 38 2HB ALA 38 -1.294 -13.221 1.899 301 3HB ALA 38 3HB ALA 38 -0.272 -11.827 1.867 302 H ASP 39 H ASP 39 1.248 -10.898 3.338 303 HA ASP 39 HA ASP 39 3.894 -11.744 4.208 304 1HB ASP 39 1HB ASP 39 3.377 -12.799 1.831 305 2HB ASP 39 2HB ASP 39 3.635 -11.163 1.235 306 H ILE 40 H ILE 40 5.509 -10.077 4.029 307 HA ILE 40 HA ILE 40 4.410 -7.313 3.826 308 HB ILE 40 HB ILE 40 6.358 -8.676 5.717 309 1HG1 ILE 40 1HG1 ILE 40 3.815 -8.895 6.151 310 2HG1 ILE 40 2HG1 ILE 40 4.904 -8.494 7.459 311 1HG2 ILE 40 1HG2 ILE 40 6.569 -6.489 6.908 312 2HG2 ILE 40 2HG2 ILE 40 7.353 -6.565 5.337 313 3HG2 ILE 40 3HG2 ILE 40 5.801 -5.715 5.492 314 1HD1 ILE 40 1HD1 ILE 40 3.335 -6.348 5.998 315 2HD1 ILE 40 2HD1 ILE 40 2.712 -7.208 7.421 316 3HD1 ILE 40 3HD1 ILE 40 4.171 -6.235 7.563 317 H SER 41 H SER 41 5.506 -6.035 2.259 318 HA SER 41 HA SER 41 8.407 -6.486 1.846 319 1HB SER 41 1HB SER 41 6.111 -5.864 -0.057 320 2HB SER 41 2HB SER 41 7.714 -5.336 -0.424 321 HG SER 41 HG SER 41 8.412 -7.525 -0.326 322 H VAL 42 H VAL 42 9.404 -4.702 2.885 323 HA VAL 42 HA VAL 42 8.158 -2.068 2.384 324 HB VAL 42 HB VAL 42 9.518 -2.687 4.988 325 1HG1 VAL 42 1HG1 VAL 42 8.334 -0.576 5.680 326 2HG1 VAL 42 2HG1 VAL 42 9.479 -0.355 4.342 327 3HG1 VAL 42 3HG1 VAL 42 7.740 -0.419 4.022 328 1HG2 VAL 42 1HG2 VAL 42 7.307 -2.702 6.113 329 2HG2 VAL 42 2HG2 VAL 42 6.556 -2.974 4.531 330 3HG2 VAL 42 3HG2 VAL 42 7.707 -4.142 5.174 331 H GLU 43 H GLU 43 9.550 -2.062 0.583 332 HA GLU 43 HA GLU 43 12.453 -2.085 1.077 333 1HB GLU 43 1HB GLU 43 11.042 -1.418 -1.540 334 2HB GLU 43 2HB GLU 43 12.713 -1.961 -1.280 335 1HG GLU 43 1HG GLU 43 11.706 -4.132 -0.311 336 2HG GLU 43 2HG GLU 43 10.141 -3.549 -0.912 337 H GLU 44 H GLU 44 13.673 -0.064 0.033 338 HA GLU 44 HA GLU 44 12.577 2.229 1.526 339 1HB GLU 44 1HB GLU 44 15.476 1.749 0.702 340 2HB GLU 44 2HB GLU 44 14.848 2.777 1.984 341 1HG GLU 44 1HG GLU 44 14.099 0.637 3.185 342 2HG GLU 44 2HG GLU 44 14.856 -0.276 1.951 343 H ASN 45 H ASN 45 12.372 4.213 0.504 344 HA ASN 45 HA ASN 45 11.575 3.510 -2.100 345 1HB ASN 45 1HB ASN 45 11.175 5.961 -0.415 346 2HB ASN 45 2HB ASN 45 10.745 6.022 -2.121 347 1HD2 ASN 45 1HD2 ASN 45 8.713 6.405 -0.486 348 2HD2 ASN 45 2HD2 ASN 45 7.652 4.987 -0.510 349 HA PRO 46 HA PRO 46 15.166 4.762 -4.220 350 1HB PRO 46 1HB PRO 46 14.352 4.409 -6.855 351 2HB PRO 46 2HB PRO 46 14.761 3.099 -5.710 352 1HG PRO 46 1HG PRO 46 12.016 4.181 -6.405 353 2HG PRO 46 2HG PRO 46 12.538 2.475 -6.287 354 1HD PRO 46 1HD PRO 46 11.256 3.702 -4.257 355 2HD PRO 46 2HD PRO 46 12.589 2.553 -3.941 356 H LEU 47 H LEU 47 12.370 6.695 -4.428 357 HA LEU 47 HA LEU 47 13.896 9.012 -5.522 358 1HB LEU 47 1HB LEU 47 11.139 8.029 -6.334 359 2HB LEU 47 2HB LEU 47 11.772 9.629 -6.722 360 HG LEU 47 HG LEU 47 13.677 7.668 -7.558 361 1HD1 LEU 47 1HD1 LEU 47 10.952 7.060 -8.609 362 2HD1 LEU 47 2HD1 LEU 47 12.491 6.412 -9.210 363 3HD1 LEU 47 3HD1 LEU 47 11.959 6.046 -7.567 364 1HD2 LEU 47 1HD2 LEU 47 13.474 9.914 -8.464 365 2HD2 LEU 47 2HD2 LEU 47 13.392 8.691 -9.737 366 3HD2 LEU 47 3HD2 LEU 47 11.898 9.489 -9.186 367 H ALA 48 H ALA 48 13.391 8.328 -2.733 368 HA ALA 48 HA ALA 48 10.983 9.524 -1.687 369 1HB ALA 48 1HB ALA 48 12.178 9.341 0.471 370 2HB ALA 48 2HB ALA 48 12.383 7.850 -0.465 371 3HB ALA 48 3HB ALA 48 13.706 9.025 -0.370 372 H GLN 49 H GLN 49 14.110 10.817 -2.586 373 HA GLN 49 HA GLN 49 13.279 13.538 -1.713 374 1HB GLN 49 1HB GLN 49 15.616 13.973 -1.058 375 2HB GLN 49 2HB GLN 49 14.784 12.794 -0.056 376 1HG GLN 49 1HG GLN 49 16.984 11.999 -0.307 377 2HG GLN 49 2HG GLN 49 15.990 10.952 -1.281 378 1HE2 GLN 49 1HE2 GLN 49 17.977 10.352 -2.441 379 2HE2 GLN 49 2HE2 GLN 49 18.576 11.391 -3.726 380 H ASP 50 H ASP 50 14.502 11.511 -4.250 381 HA ASP 50 HA ASP 50 15.586 13.835 -5.735 382 1HB ASP 50 1HB ASP 50 16.788 11.508 -5.453 383 2HB ASP 50 2HB ASP 50 15.685 10.995 -6.722 384 H HIS 51 H HIS 51 14.502 14.592 -7.472 385 HA HIS 51 HA HIS 51 12.678 15.267 -8.587 386 1HB HIS 51 1HB HIS 51 12.413 12.391 -9.027 387 2HB HIS 51 2HB HIS 51 11.150 13.461 -9.580 388 HD1 HIS 51 1HD HIS 51 11.610 14.724 -11.850 389 HD2 HIS 51 2HD HIS 51 14.988 12.915 -10.050 390 HE1 HIS 51 1HE HIS 51 13.562 14.988 -13.492 391 HE2 HIS 51 2HE HIS 51 15.625 13.980 -12.347 392 H VAL 52 H VAL 52 11.677 12.844 -6.162 393 HA VAL 52 HA VAL 52 10.081 12.750 -4.654 394 HB VAL 52 HB VAL 52 9.669 15.767 -4.910 395 1HG1 VAL 52 1HG1 VAL 52 9.018 15.549 -2.512 396 2HG1 VAL 52 2HG1 VAL 52 7.936 14.641 -3.588 397 3HG1 VAL 52 3HG1 VAL 52 9.190 13.793 -2.657 398 1HG2 VAL 52 1HG2 VAL 52 11.292 15.951 -3.029 399 2HG2 VAL 52 2HG2 VAL 52 11.653 14.220 -3.192 400 3HG2 VAL 52 3HG2 VAL 52 12.057 15.354 -4.494 401 H HIS 53 H HIS 53 8.654 15.278 -6.780 402 HA HIS 53 HA HIS 53 6.425 13.454 -7.547 403 1HB HIS 53 1HB HIS 53 5.565 15.306 -8.859 404 2HB HIS 53 2HB HIS 53 5.746 15.787 -7.172 405 HD1 HIS 53 1HD HIS 53 7.395 16.411 -10.630 406 HD2 HIS 53 2HD HIS 53 7.365 17.875 -6.643 407 HE1 HIS 53 1HE HIS 53 8.746 18.603 -10.613 408 HE2 HIS 53 2HE HIS 53 8.716 19.483 -8.241 409 H GLY 54 H GLY 54 6.660 12.326 -9.536 410 1HA GLY 54 1HA GLY 54 8.124 12.475 -11.732 411 2HA GLY 54 2HA GLY 54 9.423 12.367 -10.514 412 H ALA 55 H ALA 55 10.057 10.246 -11.176 413 HA ALA 55 HA ALA 55 8.263 8.195 -11.778 414 1HB ALA 55 1HB ALA 55 10.574 8.367 -12.596 415 2HB ALA 55 2HB ALA 55 11.187 8.022 -10.967 416 3HB ALA 55 3HB ALA 55 10.271 6.792 -11.848 417 H VAL 56 H VAL 56 8.735 9.257 -8.572 418 HA VAL 56 HA VAL 56 9.020 7.036 -7.012 419 HB VAL 56 HB VAL 56 7.273 9.464 -6.794 420 1HG1 VAL 56 1HG1 VAL 56 6.375 8.899 -4.541 421 2HG1 VAL 56 2HG1 VAL 56 5.603 8.004 -5.848 422 3HG1 VAL 56 3HG1 VAL 56 6.823 7.216 -4.834 423 1HG2 VAL 56 1HG2 VAL 56 9.560 9.557 -6.039 424 2HG2 VAL 56 2HG2 VAL 56 8.493 9.802 -4.670 425 3HG2 VAL 56 3HG2 VAL 56 9.284 8.225 -4.892 426 HA PRO 57 HA PRO 57 4.539 5.448 -7.638 427 1HB PRO 57 1HB PRO 57 3.217 6.544 -9.930 428 2HB PRO 57 2HB PRO 57 2.800 6.747 -8.191 429 1HG PRO 57 1HG PRO 57 3.719 8.794 -9.892 430 2HG PRO 57 2HG PRO 57 3.671 8.816 -8.098 431 1HD PRO 57 1HD PRO 57 5.953 8.161 -9.929 432 2HD PRO 57 2HD PRO 57 5.954 9.037 -8.362 433 H ASN 58 H ASN 58 6.544 6.223 -10.482 434 HA ASN 58 HA ASN 58 5.550 4.180 -12.236 435 1HB ASN 58 1HB ASN 58 7.058 6.120 -12.910 436 2HB ASN 58 2HB ASN 58 8.389 5.276 -12.116 437 1HD2 ASN 58 1HD2 ASN 58 9.461 5.238 -14.279 438 2HD2 ASN 58 2HD2 ASN 58 8.990 4.001 -15.406 439 H PHE 59 H PHE 59 8.121 4.312 -9.759 440 HA PHE 59 HA PHE 59 8.965 1.603 -9.837 441 1HB PHE 59 1HB PHE 59 10.218 3.111 -8.508 442 2HB PHE 59 2HB PHE 59 8.802 3.755 -7.718 443 HD1 PHE 59 1HD PHE 59 10.210 0.241 -8.092 444 HD2 PHE 59 2HD PHE 59 8.683 3.300 -5.455 445 HE1 PHE 59 1HE PHE 59 10.734 -1.161 -6.159 446 HE2 PHE 59 2HE PHE 59 9.123 1.804 -3.508 447 HZ PHE 59 HZ PHE 59 10.091 -0.461 -3.865 448 H VAL 60 H VAL 60 6.507 2.968 -7.500 449 HA VAL 60 HA VAL 60 5.736 0.331 -6.813 450 HB VAL 60 HB VAL 60 3.728 1.425 -5.739 451 1HG1 VAL 60 1HG1 VAL 60 6.452 2.576 -4.941 452 2HG1 VAL 60 2HG1 VAL 60 5.098 2.144 -3.876 453 3HG1 VAL 60 3HG1 VAL 60 6.050 0.891 -4.658 454 1HG2 VAL 60 1HG2 VAL 60 3.807 3.797 -5.324 455 2HG2 VAL 60 2HG2 VAL 60 5.247 3.971 -6.331 456 3HG2 VAL 60 3HG2 VAL 60 3.674 3.506 -7.070 457 H LYS 61 H LYS 61 4.778 1.980 -9.574 458 HA LYS 61 HA LYS 61 2.356 0.463 -10.068 459 1HB LYS 61 1HB LYS 61 3.287 2.691 -11.261 460 2HB LYS 61 2HB LYS 61 4.091 1.532 -12.317 461 1HG LYS 61 1HG LYS 61 1.708 0.544 -12.700 462 2HG LYS 61 2HG LYS 61 1.129 1.971 -11.820 463 1HD LYS 61 1HD LYS 61 0.988 2.816 -13.949 464 2HD LYS 61 2HD LYS 61 2.648 3.280 -13.584 465 1HE LYS 61 1HE LYS 61 3.057 2.241 -15.598 466 2HE LYS 61 2HE LYS 61 3.146 0.815 -14.567 467 1HZ LYS 61 1HZ LYS 61 1.717 0.120 -16.124 468 2HZ LYS 61 2HZ LYS 61 0.598 0.725 -15.126 469 3HZ LYS 61 3HZ LYS 61 1.079 1.604 -16.456 470 H GLU 62 H GLU 62 5.763 -0.300 -10.337 471 HA GLU 62 HA GLU 62 5.184 -2.623 -12.026 472 1HB GLU 62 1HB GLU 62 7.311 -2.791 -12.363 473 2HB GLU 62 2HB GLU 62 7.345 -1.091 -11.966 474 1HG GLU 62 1HG GLU 62 8.556 -1.394 -10.019 475 2HG GLU 62 2HG GLU 62 7.945 -3.008 -9.690 476 H LYS 63 H LYS 63 4.924 -1.886 -8.713 477 HA LYS 63 HA LYS 63 6.025 -4.432 -7.746 478 1HB LYS 63 1HB LYS 63 4.701 -2.075 -6.358 479 2HB LYS 63 2HB LYS 63 5.577 -3.341 -5.514 480 1HG LYS 63 1HG LYS 63 6.803 -1.457 -7.545 481 2HG LYS 63 2HG LYS 63 6.878 -1.229 -5.813 482 1HD LYS 63 1HD LYS 63 8.013 -3.677 -7.214 483 2HD LYS 63 2HD LYS 63 8.868 -2.166 -6.977 484 1HE LYS 63 1HE LYS 63 9.392 -2.631 -4.863 485 2HE LYS 63 2HE LYS 63 7.697 -2.934 -4.448 486 1HZ LYS 63 1HZ LYS 63 9.267 -4.804 -4.142 487 2HZ LYS 63 2HZ LYS 63 7.931 -5.184 -5.075 488 3HZ LYS 63 3HZ LYS 63 9.434 -4.928 -5.745 489 H GLY 64 H GLY 64 3.601 -4.635 -9.368 490 1HA GLY 64 1HA GLY 64 1.796 -6.047 -9.416 491 2HA GLY 64 2HA GLY 64 2.483 -6.795 -7.972 492 H ALA 65 H ALA 65 1.588 -3.383 -7.617 493 HA ALA 65 HA ALA 65 0.023 -4.012 -5.430 494 1HB ALA 65 1HB ALA 65 -0.085 -1.441 -7.037 495 2HB ALA 65 2HB ALA 65 -0.392 -1.680 -5.287 496 3HB ALA 65 3HB ALA 65 1.240 -1.920 -5.951 497 H GLU 66 H GLU 66 -2.220 -3.514 -4.986 498 HA GLU 66 HA GLU 66 -4.117 -3.377 -7.242 499 1HB GLU 66 1HB GLU 66 -3.855 -5.617 -5.316 500 2HB GLU 66 2HB GLU 66 -5.499 -5.054 -5.658 501 1HG GLU 66 1HG GLU 66 -5.343 -5.483 -7.962 502 2HG GLU 66 2HG GLU 66 -3.585 -5.668 -7.913 503 H LEU 67 H LEU 67 -3.152 -2.613 -3.927 504 HA LEU 67 HA LEU 67 -5.316 -0.635 -3.761 505 1HB LEU 67 1HB LEU 67 -5.084 -3.001 -2.112 506 2HB LEU 67 2HB LEU 67 -4.520 -1.672 -1.136 507 HG LEU 67 HG LEU 67 -7.221 -1.821 -2.505 508 1HD1 LEU 67 1HD1 LEU 67 -8.108 -2.108 -0.307 509 2HD1 LEU 67 2HD1 LEU 67 -6.871 -3.352 -0.535 510 3HD1 LEU 67 3HD1 LEU 67 -6.520 -1.930 0.461 511 1HD2 LEU 67 1HD2 LEU 67 -6.558 0.551 -2.188 512 2HD2 LEU 67 2HD2 LEU 67 -7.839 0.094 -1.092 513 3HD2 LEU 67 3HD2 LEU 67 -6.173 0.234 -0.488 514 H VAL 68 H VAL 68 -4.678 1.203 -2.464 515 HA VAL 68 HA VAL 68 -2.135 1.003 -1.019 516 HB VAL 68 HB VAL 68 -2.870 3.576 -2.481 517 1HG1 VAL 68 1HG1 VAL 68 -0.590 4.198 -1.955 518 2HG1 VAL 68 2HG1 VAL 68 -1.325 3.571 -0.462 519 3HG1 VAL 68 3HG1 VAL 68 -0.234 2.543 -1.401 520 1HG2 VAL 68 1HG2 VAL 68 -2.371 2.032 -4.292 521 2HG2 VAL 68 2HG2 VAL 68 -0.957 3.086 -4.047 522 3HG2 VAL 68 3HG2 VAL 68 -0.933 1.421 -3.454 523 H ILE 69 H ILE 69 -2.359 1.956 1.053 524 HA ILE 69 HA ILE 69 -4.966 3.233 1.708 525 HB ILE 69 HB ILE 69 -3.199 1.405 3.356 526 1HG1 ILE 69 1HG1 ILE 69 -6.160 1.104 2.768 527 2HG1 ILE 69 2HG1 ILE 69 -4.905 0.332 1.812 528 1HG2 ILE 69 1HG2 ILE 69 -3.812 3.081 4.924 529 2HG2 ILE 69 2HG2 ILE 69 -5.439 3.272 4.194 530 3HG2 ILE 69 3HG2 ILE 69 -5.032 1.839 5.124 531 1HD1 ILE 69 1HD1 ILE 69 -4.086 -0.697 4.053 532 2HD1 ILE 69 2HD1 ILE 69 -5.643 -0.197 4.710 533 3HD1 ILE 69 3HD1 ILE 69 -5.600 -1.315 3.347 534 H VAL 70 H VAL 70 -4.638 5.402 2.064 535 HA VAL 70 HA VAL 70 -1.864 6.302 2.704 536 HB VAL 70 HB VAL 70 -2.472 8.126 0.938 537 1HG1 VAL 70 1HG1 VAL 70 -1.721 6.218 -0.876 538 2HG1 VAL 70 2HG1 VAL 70 -0.638 7.013 0.277 539 3HG1 VAL 70 3HG1 VAL 70 -1.303 5.422 0.641 540 1HG2 VAL 70 1HG2 VAL 70 -4.203 5.879 -0.187 541 2HG2 VAL 70 2HG2 VAL 70 -4.827 7.397 0.491 542 3HG2 VAL 70 3HG2 VAL 70 -3.820 7.429 -0.942 543 H ARG 71 H ARG 71 -1.638 8.034 3.972 544 HA ARG 71 HA ARG 71 -3.845 8.958 5.521 545 1HB ARG 71 1HB ARG 71 -1.572 8.822 6.394 546 2HB ARG 71 2HB ARG 71 -1.032 10.059 5.260 547 1HG ARG 71 1HG ARG 71 -1.726 11.713 6.662 548 2HG ARG 71 2HG ARG 71 -3.352 11.057 6.648 549 1HD ARG 71 1HD ARG 71 -2.414 9.355 8.431 550 2HD ARG 71 2HD ARG 71 -1.188 10.586 8.680 551 HE ARG 71 HE ARG 71 -4.129 10.784 9.046 552 1HH1 ARG 71 2HH2 ARG 71 -0.997 12.264 9.639 553 2HH1 ARG 71 1HH2 ARG 71 -1.614 13.768 10.215 554 1HH2 ARG 71 2HH1 ARG 71 -5.014 12.871 9.761 555 2HH2 ARG 71 1HH1 ARG 71 -3.949 14.163 10.171 556 H GLY 72 H GLY 72 -1.773 11.226 3.578 557 1HA GLY 72 1HA GLY 72 -4.282 12.771 3.132 558 2HA GLY 72 2HA GLY 72 -2.674 13.433 3.296 559 H ILE 73 H ILE 73 -1.389 11.735 1.435 560 HA ILE 73 HA ILE 73 -0.616 11.850 -0.614 561 HB ILE 73 HB ILE 73 -2.191 9.920 -0.468 562 1HG1 ILE 73 1HG1 ILE 73 -2.205 10.675 -3.383 563 2HG1 ILE 73 2HG1 ILE 73 -0.669 10.469 -2.536 564 1HG2 ILE 73 1HG2 ILE 73 -4.288 9.822 -1.738 565 2HG2 ILE 73 2HG2 ILE 73 -4.391 11.067 -0.509 566 3HG2 ILE 73 3HG2 ILE 73 -4.120 11.520 -2.201 567 1HD1 ILE 73 1HD1 ILE 73 -1.327 8.396 -3.637 568 2HD1 ILE 73 2HD1 ILE 73 -1.354 8.182 -1.889 569 3HD1 ILE 73 3HD1 ILE 73 -2.876 8.390 -2.806 570 H GLY 74 H GLY 74 -2.054 12.338 -3.266 571 1HA GLY 74 1HA GLY 74 -3.191 14.834 -3.456 572 2HA GLY 74 2HA GLY 74 -1.437 15.084 -3.595 573 H ARG 75 H ARG 75 -2.996 15.659 -5.759 574 HA ARG 75 HA ARG 75 -4.113 13.876 -7.304 575 1HB ARG 75 1HB ARG 75 -3.537 16.539 -7.588 576 2HB ARG 75 2HB ARG 75 -2.584 15.906 -8.910 577 1HG ARG 75 1HG ARG 75 -5.553 15.857 -8.496 578 2HG ARG 75 2HG ARG 75 -4.643 16.478 -9.852 579 1HD ARG 75 1HD ARG 75 -4.133 14.111 -10.548 580 2HD ARG 75 2HD ARG 75 -5.105 13.528 -9.179 581 HE ARG 75 HE ARG 75 -7.060 14.107 -10.218 582 1HH1 ARG 75 2HH2 ARG 75 -4.463 15.703 -12.137 583 2HH1 ARG 75 1HH2 ARG 75 -5.622 16.244 -13.300 584 1HH2 ARG 75 2HH1 ARG 75 -8.373 14.455 -12.016 585 2HH2 ARG 75 1HH1 ARG 75 -7.746 15.334 -13.371 586 H ARG 76 H ARG 76 -0.693 14.731 -7.814 587 HA ARG 76 HA ARG 76 -0.135 13.178 -10.040 588 1HB ARG 76 1HB ARG 76 2.227 13.292 -9.285 589 2HB ARG 76 2HB ARG 76 1.365 14.823 -9.175 590 1HG ARG 76 1HG ARG 76 0.976 14.321 -6.710 591 2HG ARG 76 2HG ARG 76 2.029 12.894 -6.889 592 1HD ARG 76 1HD ARG 76 3.913 14.216 -7.147 593 2HD ARG 76 2HD ARG 76 3.007 15.494 -7.972 594 HE ARG 76 HE ARG 76 2.535 15.060 -5.088 595 1HH1 ARG 76 2HH2 ARG 76 3.619 17.340 -7.677 596 2HH1 ARG 76 1HH2 ARG 76 3.740 18.653 -6.533 597 1HH2 ARG 76 2HH1 ARG 76 2.573 17.002 -3.713 598 2HH2 ARG 76 1HH1 ARG 76 3.089 18.478 -4.447 599 H ALA 77 H ALA 77 -0.698 11.952 -6.826 600 HA ALA 77 HA ALA 77 0.574 9.369 -7.533 601 1HB ALA 77 1HB ALA 77 1.154 10.346 -5.374 602 2HB ALA 77 2HB ALA 77 -0.567 10.415 -4.934 603 3HB ALA 77 3HB ALA 77 0.228 8.839 -5.178 604 H ILE 78 H ILE 78 -2.586 10.948 -6.941 605 HA ILE 78 HA ILE 78 -4.278 8.667 -7.014 606 HB ILE 78 HB ILE 78 -4.615 11.527 -7.945 607 1HG1 ILE 78 1HG1 ILE 78 -4.424 11.046 -5.473 608 2HG1 ILE 78 2HG1 ILE 78 -5.833 11.931 -6.016 609 1HG2 ILE 78 1HG2 ILE 78 -6.768 9.414 -8.052 610 2HG2 ILE 78 2HG2 ILE 78 -7.049 11.161 -8.133 611 3HG2 ILE 78 3HG2 ILE 78 -6.108 10.362 -9.391 612 1HD1 ILE 78 1HD1 ILE 78 -6.407 10.246 -4.290 613 2HD1 ILE 78 2HD1 ILE 78 -7.254 9.979 -5.811 614 3HD1 ILE 78 3HD1 ILE 78 -5.846 8.967 -5.408 615 H ALA 79 H ALA 79 -2.814 10.677 -9.592 616 HA ALA 79 HA ALA 79 -3.900 9.261 -11.780 617 1HB ALA 79 1HB ALA 79 -2.067 10.238 -13.111 618 2HB ALA 79 2HB ALA 79 -2.740 11.432 -11.985 619 3HB ALA 79 3HB ALA 79 -1.179 10.642 -11.629 620 H ALA 80 H ALA 80 -1.383 7.995 -9.651 621 HA ALA 80 HA ALA 80 -0.275 6.167 -11.635 622 1HB ALA 80 1HB ALA 80 1.000 5.308 -9.767 623 2HB ALA 80 2HB ALA 80 0.994 7.092 -9.703 624 3HB ALA 80 3HB ALA 80 -0.028 6.151 -8.591 625 H PHE 81 H PHE 81 -2.345 5.823 -8.715 626 HA PHE 81 HA PHE 81 -3.459 3.336 -8.901 627 1HB PHE 81 1HB PHE 81 -4.482 4.473 -7.247 628 2HB PHE 81 2HB PHE 81 -4.189 5.958 -8.047 629 HD1 PHE 81 1HD PHE 81 -6.611 3.250 -9.158 630 HD2 PHE 81 2HD PHE 81 -6.077 7.261 -7.718 631 HE1 PHE 81 1HE PHE 81 -9.025 3.631 -9.369 632 HE2 PHE 81 2HE PHE 81 -8.514 7.637 -7.903 633 HZ PHE 81 HZ PHE 81 -10.000 5.830 -8.723 634 H GLU 82 H GLU 82 -4.514 6.208 -10.547 635 HA GLU 82 HA GLU 82 -6.513 4.901 -11.992 636 1HB GLU 82 1HB GLU 82 -4.944 7.491 -12.562 637 2HB GLU 82 2HB GLU 82 -6.344 7.083 -13.466 638 1HG GLU 82 1HG GLU 82 -7.224 6.966 -10.763 639 2HG GLU 82 2HG GLU 82 -6.102 8.312 -10.817 640 H ALA 83 H ALA 83 -3.152 4.728 -12.634 641 HA ALA 83 HA ALA 83 -3.532 4.139 -15.482 642 1HB ALA 83 1HB ALA 83 -1.420 5.246 -14.719 643 2HB ALA 83 2HB ALA 83 -1.070 3.814 -13.726 644 3HB ALA 83 3HB ALA 83 -1.134 3.668 -15.491 645 H MET 84 H MET 84 -3.757 2.482 -12.415 646 HA MET 84 HA MET 84 -3.980 -0.070 -13.985 647 1HB MET 84 1HB MET 84 -2.799 -1.173 -11.961 648 2HB MET 84 2HB MET 84 -1.887 -0.448 -13.271 649 1HG MET 84 1HG MET 84 -1.362 1.502 -11.989 650 2HG MET 84 2HG MET 84 -2.466 1.048 -10.713 651 1HE MET 84 1HE MET 84 0.735 -2.223 -10.936 652 2HE MET 84 2HE MET 84 -0.955 -2.319 -11.424 653 3HE MET 84 3HE MET 84 0.227 -1.473 -12.460 654 H GLY 85 H GLY 85 -5.822 1.932 -12.434 655 1HA GLY 85 1HA GLY 85 -7.850 1.721 -11.294 656 2HA GLY 85 2HA GLY 85 -7.843 -0.009 -11.710 657 H VAL 86 H VAL 86 -5.285 1.633 -9.914 658 HA VAL 86 HA VAL 86 -5.495 -0.570 -7.919 659 HB VAL 86 HB VAL 86 -3.365 1.392 -8.707 660 1HG1 VAL 86 1HG1 VAL 86 -1.958 0.898 -6.758 661 2HG1 VAL 86 2HG1 VAL 86 -3.368 1.889 -6.365 662 3HG1 VAL 86 3HG1 VAL 86 -3.357 0.158 -5.941 663 1HG2 VAL 86 1HG2 VAL 86 -3.467 -1.546 -7.941 664 2HG2 VAL 86 2HG2 VAL 86 -3.428 -0.905 -9.583 665 3HG2 VAL 86 3HG2 VAL 86 -2.024 -0.725 -8.498 666 H LYS 87 H LYS 87 -6.866 -0.388 -6.252 667 HA LYS 87 HA LYS 87 -8.392 1.947 -5.924 668 1HB LYS 87 1HB LYS 87 -9.190 -0.282 -5.392 669 2HB LYS 87 2HB LYS 87 -8.020 -0.468 -4.093 670 1HG LYS 87 1HG LYS 87 -9.190 0.993 -2.664 671 2HG LYS 87 2HG LYS 87 -9.959 1.827 -3.998 672 1HD LYS 87 1HD LYS 87 -11.611 0.619 -2.825 673 2HD LYS 87 2HD LYS 87 -11.437 -0.055 -4.442 674 1HE LYS 87 1HE LYS 87 -10.209 -1.987 -3.550 675 2HE LYS 87 2HE LYS 87 -10.213 -1.267 -1.924 676 1HZ LYS 87 1HZ LYS 87 -12.657 -1.380 -2.006 677 2HZ LYS 87 2HZ LYS 87 -12.595 -2.161 -3.444 678 3HZ LYS 87 3HZ LYS 87 -11.983 -2.884 -2.118 679 H VAL 88 H VAL 88 -8.513 3.546 -4.217 680 HA VAL 88 HA VAL 88 -5.952 3.831 -2.727 681 HB VAL 88 HB VAL 88 -7.477 6.180 -3.897 682 1HG1 VAL 88 1HG1 VAL 88 -5.811 6.379 -1.974 683 2HG1 VAL 88 2HG1 VAL 88 -4.553 5.832 -3.090 684 3HG1 VAL 88 3HG1 VAL 88 -5.424 7.350 -3.420 685 1HG2 VAL 88 1HG2 VAL 88 -6.827 4.914 -5.836 686 2HG2 VAL 88 2HG2 VAL 88 -5.678 6.237 -5.637 687 3HG2 VAL 88 3HG2 VAL 88 -5.218 4.590 -5.148 688 H ILE 89 H ILE 89 -6.702 3.104 -0.755 689 HA ILE 89 HA ILE 89 -9.130 4.257 0.381 690 HB ILE 89 HB ILE 89 -7.255 2.068 1.162 691 1HG1 ILE 89 1HG1 ILE 89 -10.291 2.277 0.912 692 2HG1 ILE 89 2HG1 ILE 89 -9.204 1.778 -0.393 693 1HG2 ILE 89 1HG2 ILE 89 -9.224 3.426 3.034 694 2HG2 ILE 89 2HG2 ILE 89 -8.658 1.762 3.283 695 3HG2 ILE 89 3HG2 ILE 89 -7.512 3.083 3.312 696 1HD1 ILE 89 1HD1 ILE 89 -10.047 -0.216 0.456 697 2HD1 ILE 89 2HD1 ILE 89 -8.443 -0.098 1.223 698 3HD1 ILE 89 3HD1 ILE 89 -9.918 0.327 2.133 699 H LYS 90 H LYS 90 -8.730 6.302 0.287 700 HA LYS 90 HA LYS 90 -6.543 7.673 1.584 701 1HB LYS 90 1HB LYS 90 -9.186 8.389 0.366 702 2HB LYS 90 2HB LYS 90 -8.103 9.643 1.012 703 1HG LYS 90 1HG LYS 90 -6.764 9.642 -0.795 704 2HG LYS 90 2HG LYS 90 -6.787 7.898 -0.935 705 1HD LYS 90 1HD LYS 90 -7.750 9.049 -2.941 706 2HD LYS 90 2HD LYS 90 -8.887 7.938 -2.175 707 1HE LYS 90 1HE LYS 90 -9.943 9.728 -0.997 708 2HE LYS 90 2HE LYS 90 -8.850 10.946 -1.653 709 1HZ LYS 90 1HZ LYS 90 -9.863 10.603 -3.788 710 2HZ LYS 90 2HZ LYS 90 -10.704 9.296 -3.305 711 3HZ LYS 90 3HZ LYS 90 -11.056 10.795 -2.689 712 H GLY 91 H GLY 91 -6.495 8.759 3.487 713 1HA GLY 91 1HA GLY 91 -7.536 10.075 5.177 714 2HA GLY 91 2HA GLY 91 -8.978 9.051 5.101 715 H ALA 92 H ALA 92 -5.749 7.533 5.127 716 HA ALA 92 HA ALA 92 -6.575 6.034 7.466 717 1HB ALA 92 1HB ALA 92 -5.305 5.028 5.625 718 2HB ALA 92 2HB ALA 92 -3.923 6.088 5.970 719 3HB ALA 92 3HB ALA 92 -4.436 4.857 7.154 720 H SER 93 H SER 93 -5.125 5.656 9.334 721 HA SER 93 HA SER 93 -2.946 7.294 9.911 722 1HB SER 93 1HB SER 93 -3.739 7.801 12.270 723 2HB SER 93 2HB SER 93 -4.475 8.796 11.004 724 HG SER 93 HG SER 93 -5.704 7.386 12.819 725 H GLY 94 H GLY 94 -1.816 6.061 11.838 726 1HA GLY 94 1HA GLY 94 -2.241 4.264 13.445 727 2HA GLY 94 2HA GLY 94 -2.888 3.284 12.145 728 H THR 95 H THR 95 -1.004 1.992 13.442 729 HA THR 95 HA THR 95 1.563 2.226 12.011 730 HB THR 95 HB THR 95 1.894 0.030 13.375 731 HG1 THR 95 1HG THR 95 0.473 -0.228 15.126 732 1HG2 THR 95 1HG2 THR 95 2.795 2.277 14.045 733 2HG2 THR 95 2HG2 THR 95 1.301 2.583 14.948 734 3HG2 THR 95 3HG2 THR 95 2.384 1.254 15.435 735 H VAL 96 H VAL 96 2.201 0.451 10.561 736 HA VAL 96 HA VAL 96 0.280 -0.024 8.606 737 HB VAL 96 HB VAL 96 2.823 -1.543 9.271 738 1HG1 VAL 96 1HG1 VAL 96 2.722 -2.430 6.909 739 2HG1 VAL 96 2HG1 VAL 96 1.368 -3.052 7.866 740 3HG1 VAL 96 3HG1 VAL 96 1.116 -1.739 6.741 741 1HG2 VAL 96 1HG2 VAL 96 3.000 0.836 8.518 742 2HG2 VAL 96 2HG2 VAL 96 3.774 -0.314 7.416 743 3HG2 VAL 96 3HG2 VAL 96 2.197 0.398 7.012 744 H GLU 97 H GLU 97 1.283 -2.251 11.243 745 HA GLU 97 HA GLU 97 -0.210 -4.477 10.458 746 1HB GLU 97 1HB GLU 97 0.023 -5.208 12.790 747 2HB GLU 97 2HB GLU 97 1.507 -4.516 12.149 748 1HG GLU 97 1HG GLU 97 1.039 -2.373 13.339 749 2HG GLU 97 2HG GLU 97 -0.467 -3.054 13.938 750 H GLU 98 H GLU 98 -1.319 -1.516 11.949 751 HA GLU 98 HA GLU 98 -3.918 -2.577 12.831 752 1HB GLU 98 1HB GLU 98 -2.670 -1.194 14.339 753 2HB GLU 98 2HB GLU 98 -2.435 0.070 13.141 754 1HG GLU 98 1HG GLU 98 -4.583 0.903 13.328 755 2HG GLU 98 2HG GLU 98 -5.268 -0.648 13.826 756 H VAL 99 H VAL 99 -2.558 -0.097 10.586 757 HA VAL 99 HA VAL 99 -4.898 0.782 9.330 758 HB VAL 99 HB VAL 99 -2.042 0.291 8.352 759 1HG1 VAL 99 1HG1 VAL 99 -2.505 1.837 6.510 760 2HG1 VAL 99 2HG1 VAL 99 -3.495 0.373 6.376 761 3HG1 VAL 99 3HG1 VAL 99 -4.214 1.871 7.028 762 1HG2 VAL 99 1HG2 VAL 99 -1.677 2.627 8.670 763 2HG2 VAL 99 2HG2 VAL 99 -3.410 2.952 8.850 764 3HG2 VAL 99 3HG2 VAL 99 -2.521 2.118 10.142 765 H VAL 100 H VAL 100 -2.931 -2.115 8.736 766 HA VAL 100 HA VAL 100 -4.432 -3.062 6.464 767 HB VAL 100 HB VAL 100 -2.488 -4.393 8.395 768 1HG1 VAL 100 1HG1 VAL 100 -2.419 -6.281 6.729 769 2HG1 VAL 100 2HG1 VAL 100 -3.915 -6.199 7.656 770 3HG1 VAL 100 3HG1 VAL 100 -3.887 -5.613 5.979 771 1HG2 VAL 100 1HG2 VAL 100 -0.991 -4.369 6.463 772 2HG2 VAL 100 2HG2 VAL 100 -2.265 -3.688 5.424 773 3HG2 VAL 100 3HG2 VAL 100 -1.575 -2.731 6.746 774 H ASN 101 H ASN 101 -4.590 -3.807 10.010 775 HA ASN 101 HA ASN 101 -6.639 -5.751 9.809 776 1HB ASN 101 1HB ASN 101 -5.283 -5.261 11.860 777 2HB ASN 101 2HB ASN 101 -6.200 -3.769 12.085 778 1HD2 ASN 101 1HD2 ASN 101 -6.104 -7.053 12.860 779 2HD2 ASN 101 2HD2 ASN 101 -7.756 -7.232 13.411 780 H GLN 102 H GLN 102 -6.902 -2.218 10.357 781 HA GLN 102 HA GLN 102 -9.674 -2.028 10.656 782 1HB GLN 102 1HB GLN 102 -7.753 -0.068 9.347 783 2HB GLN 102 2HB GLN 102 -9.398 0.319 9.836 784 1HG GLN 102 1HG GLN 102 -7.914 -0.909 12.063 785 2HG GLN 102 2HG GLN 102 -7.012 0.424 11.378 786 1HE2 GLN 102 1HE2 GLN 102 -8.910 -0.183 13.914 787 2HE2 GLN 102 2HE2 GLN 102 -9.630 1.392 14.106 788 H TYR 103 H TYR 103 -7.735 -1.978 7.660 789 HA TYR 103 HA TYR 103 -9.958 -1.691 5.867 790 1HB TYR 103 1HB TYR 103 -7.813 -1.052 5.165 791 2HB TYR 103 2HB TYR 103 -7.074 -2.598 5.576 792 HD1 TYR 103 1HD TYR 103 -6.660 -4.077 3.814 793 HD2 TYR 103 2HD TYR 103 -9.985 -1.357 3.570 794 HE1 TYR 103 1HE TYR 103 -7.290 -5.081 1.629 795 HE2 TYR 103 2HE TYR 103 -10.679 -2.403 1.399 796 HH TYR 103 HH TYR 103 -8.972 -5.267 0.118 797 H LEU 104 H LEU 104 -8.063 -4.589 6.905 798 HA LEU 104 HA LEU 104 -9.497 -6.352 5.159 799 1HB LEU 104 1HB LEU 104 -7.828 -6.831 7.651 800 2HB LEU 104 2HB LEU 104 -8.541 -8.148 6.714 801 HG LEU 104 HG LEU 104 -6.441 -6.166 5.732 802 1HD1 LEU 104 1HD1 LEU 104 -6.329 -9.168 6.235 803 2HD1 LEU 104 2HD1 LEU 104 -4.990 -8.136 5.730 804 3HD1 LEU 104 3HD1 LEU 104 -5.694 -7.932 7.339 805 1HD2 LEU 104 1HD2 LEU 104 -7.852 -6.754 3.825 806 2HD2 LEU 104 2HD2 LEU 104 -6.305 -7.589 3.714 807 3HD2 LEU 104 3HD2 LEU 104 -7.754 -8.476 4.248 808 H SER 105 H SER 105 -10.250 -5.005 8.266 809 HA SER 105 HA SER 105 -12.455 -6.903 8.790 810 1HB SER 105 1HB SER 105 -11.638 -4.280 10.114 811 2HB SER 105 2HB SER 105 -12.896 -5.391 10.701 812 HG SER 105 HG SER 105 -10.372 -5.512 11.293 813 H GLY 106 H GLY 106 -11.908 -3.789 7.212 814 1HA GLY 106 1HA GLY 106 -13.177 -3.405 5.248 815 2HA GLY 106 2HA GLY 106 -14.643 -3.947 6.071 816 H GLN 107 H GLN 107 -12.792 -1.934 8.110 817 HA GLN 107 HA GLN 107 -15.068 -0.098 8.073 818 1HB GLN 107 1HB GLN 107 -12.582 -0.195 9.826 819 2HB GLN 107 2HB GLN 107 -14.058 0.752 10.130 820 1HG GLN 107 1HG GLN 107 -14.957 -1.911 9.723 821 2HG GLN 107 2HG GLN 107 -13.458 -2.072 10.621 822 1HE2 GLN 107 1HE2 GLN 107 -13.562 -1.517 12.893 823 2HE2 GLN 107 2HE2 GLN 107 -15.033 -0.910 13.650 824 H LEU 108 H LEU 108 -11.737 -0.129 7.197 825 HA LEU 108 HA LEU 108 -11.382 2.725 6.786 826 1HB LEU 108 1HB LEU 108 -9.727 0.524 6.965 827 2HB LEU 108 2HB LEU 108 -9.684 0.803 5.251 828 HG LEU 108 HG LEU 108 -8.846 3.078 5.608 829 1HD1 LEU 108 1HD1 LEU 108 -8.956 2.471 8.597 830 2HD1 LEU 108 2HD1 LEU 108 -8.055 3.815 7.868 831 3HD1 LEU 108 3HD1 LEU 108 -9.810 3.783 7.755 832 1HD2 LEU 108 1HD2 LEU 108 -7.284 1.228 5.443 833 2HD2 LEU 108 2HD2 LEU 108 -6.654 2.410 6.618 834 3HD2 LEU 108 3HD2 LEU 108 -7.414 0.912 7.179 835 H LYS 109 H LYS 109 -11.514 3.881 4.915 836 HA LYS 109 HA LYS 109 -13.077 2.660 2.671 837 1HB LYS 109 1HB LYS 109 -14.660 4.444 2.691 838 2HB LYS 109 2HB LYS 109 -14.662 3.656 4.252 839 1HG LYS 109 1HG LYS 109 -13.005 6.171 3.847 840 2HG LYS 109 2HG LYS 109 -14.749 6.299 4.011 841 1HD LYS 109 1HD LYS 109 -14.783 5.521 6.206 842 2HD LYS 109 2HD LYS 109 -13.204 4.731 6.080 843 1HE LYS 109 1HE LYS 109 -12.087 6.917 5.898 844 2HE LYS 109 2HE LYS 109 -13.651 7.742 6.027 845 1HZ LYS 109 1HZ LYS 109 -12.663 5.905 8.109 846 2HZ LYS 109 2HZ LYS 109 -12.320 7.516 8.125 847 3HZ LYS 109 3HZ LYS 109 -13.877 7.012 8.224 848 H ASP 110 H ASP 110 -13.299 4.104 0.723 849 HA ASP 110 HA ASP 110 -10.789 5.638 0.208 850 1HB ASP 110 1HB ASP 110 -10.869 4.719 -2.087 851 2HB ASP 110 2HB ASP 110 -10.713 3.421 -0.925 852 H SER 111 H SER 111 -13.659 6.318 0.965 853 HA SER 111 HA SER 111 -15.210 7.826 0.519 854 1HB SER 111 1HB SER 111 -14.171 9.979 -0.010 855 2HB SER 111 2HB SER 111 -13.452 9.039 1.319 856 HG SER 111 HG SER 111 -12.193 8.482 -0.943 857 H ASP 112 H ASP 112 -15.351 9.864 -1.654 858 HA ASP 112 HA ASP 112 -15.882 8.197 -4.006 859 1HB ASP 112 1HB ASP 112 -18.153 9.542 -4.080 860 2HB ASP 112 2HB ASP 112 -18.008 7.982 -3.278 861 H TYR 113 H TYR 113 -14.856 9.156 -5.482 862 HA TYR 113 HA TYR 113 -14.739 12.098 -5.619 863 1HB TYR 113 1HB TYR 113 -12.672 10.754 -4.625 864 2HB TYR 113 2HB TYR 113 -12.381 10.318 -6.295 865 HD1 TYR 113 1HD TYR 113 -10.142 11.249 -5.937 866 HD2 TYR 113 2HD TYR 113 -13.635 13.799 -5.686 867 HE1 TYR 113 1HE TYR 113 -8.692 13.248 -5.739 868 HE2 TYR 113 2HE TYR 113 -12.209 15.764 -5.575 869 HH TYR 113 HH TYR 113 -10.040 16.568 -5.334 870 H GLU 114 H GLU 114 -13.788 12.738 -7.817 871 HA GLU 114 HA GLU 114 -15.883 11.944 -9.498 872 1HB GLU 114 1HB GLU 114 -13.505 13.751 -9.953 873 2HB GLU 114 2HB GLU 114 -14.727 13.464 -11.190 874 1HG GLU 114 1HG GLU 114 -16.519 14.141 -9.581 875 2HG GLU 114 2HG GLU 114 -15.272 14.521 -8.382 876 H VAL 115 H VAL 115 -16.105 10.642 -11.148 877 HA VAL 115 HA VAL 115 -14.083 8.878 -12.152 878 HB VAL 115 HB VAL 115 -16.759 9.828 -13.223 879 1HG1 VAL 115 1HG1 VAL 115 -15.427 9.099 -15.130 880 2HG1 VAL 115 2HG1 VAL 115 -14.944 7.601 -14.266 881 3HG1 VAL 115 3HG1 VAL 115 -16.632 7.878 -14.745 882 1HG2 VAL 115 1HG2 VAL 115 -17.496 7.557 -12.524 883 2HG2 VAL 115 2HG2 VAL 115 -15.873 7.208 -11.895 884 3HG2 VAL 115 3HG2 VAL 115 -16.885 8.453 -11.141 885 H HIS 116 H HIS 116 -12.494 9.404 -13.373 886 HA HIS 116 HA HIS 116 -11.492 11.809 -13.937 887 1HB HIS 116 1HB HIS 116 -10.055 10.711 -15.627 888 2HB HIS 116 2HB HIS 116 -10.161 9.872 -14.096 889 HD1 HIS 116 1HD HIS 116 -9.074 7.994 -15.927 890 HD2 HIS 116 2HD HIS 116 -13.233 8.693 -15.780 891 HE1 HIS 116 1HE HIS 116 -10.201 5.873 -16.782 892 HE2 HIS 116 2HE HIS 116 -12.733 6.253 -16.601 893 H ASP 117 H ASP 117 -12.461 13.489 -14.851 894 HA ASP 117 HA ASP 117 -14.117 13.774 -17.030 895 1HB ASP 117 1HB ASP 117 -13.613 15.674 -15.775 896 2HB ASP 117 2HB ASP 117 -11.879 15.367 -15.811 897 H HIS 118 H HIS 118 -10.542 13.635 -17.179 898 HA HIS 118 HA HIS 118 -10.279 13.690 -19.909 899 1HB HIS 118 1HB HIS 118 -8.499 13.779 -18.028 900 2HB HIS 118 2HB HIS 118 -8.432 12.035 -18.162 901 HD1 HIS 118 1HD HIS 118 -8.796 13.455 -21.617 902 HD2 HIS 118 2HD HIS 118 -5.797 12.966 -18.675 903 HE1 HIS 118 1HE HIS 118 -6.526 13.696 -22.814 904 HE2 HIS 118 2HE HIS 118 -4.689 13.386 -21.029 905 H HIS 119 H HIS 119 -11.791 11.172 -18.341 906 HA HIS 119 HA HIS 119 -12.131 8.903 -18.757 907 1HB HIS 119 1HB HIS 119 -13.822 10.732 -19.406 908 2HB HIS 119 2HB HIS 119 -13.436 10.350 -21.070 909 HD1 HIS 119 1HD HIS 119 -14.575 8.040 -21.999 910 HD2 HIS 119 2HD HIS 119 -15.127 8.961 -17.891 911 HE1 HIS 119 1HE HIS 119 -16.495 6.559 -21.146 912 HE2 HIS 119 2HE HIS 119 -16.735 7.049 -18.590 913 H HIS 120 H HIS 120 -9.538 8.800 -19.660 914 HA HIS 120 HA HIS 120 -9.122 8.425 -22.349 915 1HB HIS 120 1HB HIS 120 -7.407 8.454 -20.423 916 2HB HIS 120 2HB HIS 120 -7.689 6.722 -20.301 917 HD1 HIS 120 1HD HIS 120 -6.977 5.304 -22.780 918 HD2 HIS 120 2HD HIS 120 -5.589 9.241 -22.070 919 HE1 HIS 120 1HE HIS 120 -4.796 5.543 -24.024 920 HE2 HIS 120 2HE HIS 120 -3.986 7.942 -23.714 921 H HIS 121 H HIS 121 -10.511 5.982 -20.153 922 HA HIS 121 HA HIS 121 -11.672 4.069 -20.605 923 1HB HIS 121 1HB HIS 121 -12.937 5.918 -21.729 924 2HB HIS 121 2HB HIS 121 -12.146 5.515 -23.244 925 HD1 HIS 121 1HD HIS 121 -13.445 3.818 -24.730 926 HD2 HIS 121 2HD HIS 121 -14.607 3.896 -20.656 927 HE1 HIS 121 1HE HIS 121 -15.548 2.400 -24.538 928 HE2 HIS 121 2HE HIS 121 -16.202 2.345 -22.040 929 H GLU 122 H GLU 122 -9.016 3.563 -20.845 930 HA GLU 122 HA GLU 122 -8.328 2.462 -23.467 931 1HB GLU 122 1HB GLU 122 -6.199 1.805 -22.151 932 2HB GLU 122 2HB GLU 122 -6.481 3.502 -22.477 933 1HG GLU 122 1HG GLU 122 -6.898 4.059 -20.297 934 2HG GLU 122 2HG GLU 122 -7.600 2.504 -19.891 935 H HIS 123 H HIS 123 -10.133 0.931 -23.475 936 HA HIS 123 HA HIS 123 -9.340 -1.723 -22.997 937 1HB HIS 123 1HB HIS 123 -11.067 -2.316 -21.129 938 2HB HIS 123 2HB HIS 123 -9.499 -1.699 -20.716 939 HD1 HIS 123 1HD HIS 123 -9.371 0.449 -19.294 940 HD2 HIS 123 2HD HIS 123 -13.209 -0.447 -20.869 941 HE1 HIS 123 1HE HIS 123 -11.032 2.090 -18.205 942 HE2 HIS 123 2HE HIS 123 -13.329 1.593 -19.153 943 H HIS 124 H HIS 124 -11.683 0.515 -24.207 944 HA HIS 124 HA HIS 124 -13.012 -1.531 -25.658 945 1HB HIS 124 1HB HIS 124 -14.498 -1.589 -23.732 946 2HB HIS 124 2HB HIS 124 -14.459 0.162 -23.566 947 HD1 HIS 124 1HD HIS 124 -15.132 -0.066 -27.087 948 HD2 HIS 124 2HD HIS 124 -17.266 -0.831 -23.504 949 HE1 HIS 124 1HE HIS 124 -17.646 0.173 -27.634 950 HE2 HIS 124 2HE HIS 124 -18.909 -0.203 -25.424 Start of MODEL 17 1 1H MET 1 1H MET 1 -4.415 -9.609 -4.805 2 HA MET 1 HA MET 1 -3.854 -7.415 -4.353 3 1HB MET 1 1HB MET 1 -5.930 -8.022 -3.311 4 2HB MET 1 2HB MET 1 -5.107 -8.576 -1.856 5 1HG MET 1 1HG MET 1 -4.331 -6.306 -1.389 6 2HG MET 1 2HG MET 1 -5.014 -5.714 -2.909 7 1HE MET 1 1HE MET 1 -7.902 -6.777 -3.189 8 2HE MET 1 2HE MET 1 -8.799 -5.539 -2.281 9 3HE MET 1 3HE MET 1 -7.425 -5.072 -3.303 10 H ILE 2 H ILE 2 -2.538 -5.880 -3.550 11 HA ILE 2 HA ILE 2 -0.621 -6.552 -1.461 12 HB ILE 2 HB ILE 2 0.180 -4.952 -3.898 13 1HG1 ILE 2 1HG1 ILE 2 0.479 -7.962 -3.559 14 2HG1 ILE 2 2HG1 ILE 2 -0.315 -7.084 -4.879 15 1HG2 ILE 2 1HG2 ILE 2 2.383 -5.140 -3.136 16 2HG2 ILE 2 2HG2 ILE 2 1.465 -4.902 -1.642 17 3HG2 ILE 2 3HG2 ILE 2 2.020 -6.504 -2.063 18 1HD1 ILE 2 1HD1 ILE 2 2.653 -7.270 -4.349 19 2HD1 ILE 2 2HD1 ILE 2 1.727 -7.882 -5.735 20 3HD1 ILE 2 3HD1 ILE 2 1.917 -6.129 -5.505 21 H ILE 3 H ILE 3 -0.306 -4.638 -0.177 22 HA ILE 3 HA ILE 3 -2.242 -2.429 -0.578 23 HB ILE 3 HB ILE 3 -1.580 -4.099 1.871 24 1HG1 ILE 3 1HG1 ILE 3 -4.345 -3.569 0.729 25 2HG1 ILE 3 2HG1 ILE 3 -3.326 -4.802 0.028 26 1HG2 ILE 3 1HG2 ILE 3 -3.411 -2.529 2.910 27 2HG2 ILE 3 2HG2 ILE 3 -1.764 -1.930 2.767 28 3HG2 ILE 3 3HG2 ILE 3 -2.984 -1.413 1.596 29 1HD1 ILE 3 1HD1 ILE 3 -4.185 -4.664 2.944 30 2HD1 ILE 3 2HD1 ILE 3 -4.834 -5.752 1.705 31 3HD1 ILE 3 3HD1 ILE 3 -3.137 -5.915 2.235 32 H ALA 4 H ALA 4 -0.892 -0.838 -1.116 33 HA ALA 4 HA ALA 4 1.812 -0.566 0.075 34 1HB ALA 4 1HB ALA 4 0.465 0.591 -2.253 35 2HB ALA 4 2HB ALA 4 1.275 1.826 -1.308 36 3HB ALA 4 3HB ALA 4 2.207 0.480 -1.849 37 H ILE 5 H ILE 5 2.336 0.553 1.859 38 HA ILE 5 HA ILE 5 0.510 2.688 2.791 39 HB ILE 5 HB ILE 5 1.665 0.471 4.508 40 1HG1 ILE 5 1HG1 ILE 5 -1.163 1.471 3.993 41 2HG1 ILE 5 2HG1 ILE 5 -0.468 0.097 3.147 42 1HG2 ILE 5 1HG2 ILE 5 0.560 1.762 6.391 43 2HG2 ILE 5 2HG2 ILE 5 1.871 2.676 5.666 44 3HG2 ILE 5 3HG2 ILE 5 0.201 3.059 5.228 45 1HD1 ILE 5 1HD1 ILE 5 -0.832 0.081 6.146 46 2HD1 ILE 5 2HD1 ILE 5 -2.019 -0.497 4.964 47 3HD1 ILE 5 3HD1 ILE 5 -0.439 -1.263 5.030 48 HA PRO 6 HA PRO 6 4.623 4.544 2.595 49 1HB PRO 6 1HB PRO 6 3.853 7.154 2.993 50 2HB PRO 6 2HB PRO 6 3.691 6.315 1.403 51 1HG PRO 6 1HG PRO 6 1.602 7.045 3.419 52 2HG PRO 6 2HG PRO 6 1.479 6.826 1.647 53 1HD PRO 6 1HD PRO 6 0.814 4.938 3.731 54 2HD PRO 6 2HD PRO 6 0.813 4.620 1.986 55 H VAL 7 H VAL 7 5.960 4.523 4.346 56 HA VAL 7 HA VAL 7 4.834 5.389 6.967 57 HB VAL 7 HB VAL 7 6.346 3.584 7.928 58 1HG1 VAL 7 1HG1 VAL 7 3.803 3.493 7.795 59 2HG1 VAL 7 2HG1 VAL 7 4.011 2.449 6.371 60 3HG1 VAL 7 3HG1 VAL 7 4.686 2.004 7.964 61 1HG2 VAL 7 1HG2 VAL 7 6.081 2.391 5.114 62 2HG2 VAL 7 2HG2 VAL 7 7.555 3.035 5.876 63 3HG2 VAL 7 3HG2 VAL 7 6.773 1.601 6.533 64 H SER 8 H SER 8 6.196 6.353 8.378 65 HA SER 8 HA SER 8 8.269 7.921 7.121 66 1HB SER 8 1HB SER 8 7.509 7.679 10.044 67 2HB SER 8 2HB SER 8 8.413 9.009 9.288 68 HG SER 8 HG SER 8 5.915 8.932 9.631 69 H GLU 9 H GLU 9 8.327 4.855 8.811 70 HA GLU 9 HA GLU 9 11.263 4.864 8.966 71 1HB GLU 9 1HB GLU 9 9.389 4.285 11.300 72 2HB GLU 9 2HB GLU 9 11.116 3.937 11.296 73 1HG GLU 9 1HG GLU 9 11.691 6.262 11.268 74 2HG GLU 9 2HG GLU 9 10.038 6.762 10.925 75 H ASN 10 H ASN 10 11.921 2.495 9.615 76 HA ASN 10 HA ASN 10 10.394 0.694 7.872 77 1HB ASN 10 1HB ASN 10 12.491 -0.118 7.154 78 2HB ASN 10 2HB ASN 10 12.547 1.636 7.071 79 1HD2 ASN 10 1HD2 ASN 10 13.861 -1.174 8.602 80 2HD2 ASN 10 2HD2 ASN 10 15.105 -0.402 9.539 81 H ARG 11 H ARG 11 9.396 0.570 10.319 82 HA ARG 11 HA ARG 11 10.900 -1.454 11.855 83 1HB ARG 11 1HB ARG 11 8.304 -0.074 12.569 84 2HB ARG 11 2HB ARG 11 9.393 -0.930 13.633 85 1HG ARG 11 1HG ARG 11 11.098 1.012 12.828 86 2HG ARG 11 2HG ARG 11 9.593 1.851 12.455 87 1HD ARG 11 1HD ARG 11 8.799 1.465 14.790 88 2HD ARG 11 2HD ARG 11 10.324 0.619 15.131 89 HE ARG 11 HE ARG 11 10.587 3.380 14.123 90 1HH1 ARG 11 2HH2 ARG 11 10.396 1.388 17.030 91 2HH1 ARG 11 1HH2 ARG 11 10.808 2.682 18.112 92 1HH2 ARG 11 2HH1 ARG 11 11.304 4.920 15.341 93 2HH2 ARG 11 1HH1 ARG 11 11.615 4.803 17.062 94 H GLY 12 H GLY 12 9.898 -2.289 9.367 95 1HA GLY 12 1HA GLY 12 8.547 -3.716 8.213 96 2HA GLY 12 2HA GLY 12 8.589 -4.735 9.617 97 H LYS 13 H LYS 13 6.781 -4.642 11.156 98 HA LYS 13 HA LYS 13 4.254 -3.816 9.861 99 1HB LYS 13 1HB LYS 13 3.209 -4.856 11.857 100 2HB LYS 13 2HB LYS 13 3.928 -5.936 10.698 101 1HG LYS 13 1HG LYS 13 5.529 -5.100 13.139 102 2HG LYS 13 2HG LYS 13 4.157 -6.165 13.358 103 1HD LYS 13 1HD LYS 13 5.402 -7.872 12.881 104 2HD LYS 13 2HD LYS 13 5.518 -7.368 11.219 105 1HE LYS 13 1HE LYS 13 7.636 -6.286 11.567 106 2HE LYS 13 2HE LYS 13 7.420 -6.295 13.335 107 1HZ LYS 13 1HZ LYS 13 7.687 -8.615 13.365 108 2HZ LYS 13 2HZ LYS 13 7.726 -8.752 11.725 109 3HZ LYS 13 3HZ LYS 13 8.963 -7.993 12.517 110 H ASP 14 H ASP 14 6.150 -3.127 12.824 111 HA ASP 14 HA ASP 14 4.307 -1.321 13.981 112 1HB ASP 14 1HB ASP 14 7.323 -1.317 14.357 113 2HB ASP 14 2HB ASP 14 6.107 -0.766 15.490 114 H SER 15 H SER 15 6.049 -0.958 11.161 115 HA SER 15 HA SER 15 7.127 1.555 10.993 116 1HB SER 15 1HB SER 15 5.481 0.153 8.915 117 2HB SER 15 2HB SER 15 6.700 1.441 8.673 118 HG SER 15 HG SER 15 7.035 -1.155 8.811 119 HA PRO 16 HA PRO 16 3.332 3.878 11.903 120 1HB PRO 16 1HB PRO 16 4.392 6.342 12.305 121 2HB PRO 16 2HB PRO 16 4.640 4.959 13.436 122 1HG PRO 16 1HG PRO 16 6.516 5.886 11.217 123 2HG PRO 16 2HG PRO 16 6.914 5.662 12.941 124 1HD PRO 16 1HD PRO 16 7.359 3.666 11.154 125 2HD PRO 16 2HD PRO 16 6.722 3.309 12.779 126 H ILE 17 H ILE 17 1.841 4.838 10.535 127 HA ILE 17 HA ILE 17 2.486 5.188 7.820 128 HB ILE 17 HB ILE 17 0.321 4.491 8.807 129 1HG1 ILE 17 1HG1 ILE 17 -0.238 6.814 6.966 130 2HG1 ILE 17 2HG1 ILE 17 0.740 5.450 6.401 131 1HG2 ILE 17 1HG2 ILE 17 -0.234 7.423 9.301 132 2HG2 ILE 17 2HG2 ILE 17 -1.275 6.012 9.643 133 3HG2 ILE 17 3HG2 ILE 17 0.219 6.264 10.563 134 1HD1 ILE 17 1HD1 ILE 17 -1.634 5.111 5.844 135 2HD1 ILE 17 2HD1 ILE 17 -1.017 3.854 6.934 136 3HD1 ILE 17 3HD1 ILE 17 -2.040 5.135 7.578 137 H SER 18 H SER 18 3.090 6.819 6.624 138 HA SER 18 HA SER 18 3.709 9.475 7.779 139 1HB SER 18 1HB SER 18 5.037 7.785 5.938 140 2HB SER 18 2HB SER 18 4.256 8.995 4.921 141 HG SER 18 HG SER 18 5.983 9.433 7.139 142 H GLU 19 H GLU 19 3.026 11.426 6.366 143 HA GLU 19 HA GLU 19 0.270 11.084 5.741 144 1HB GLU 19 1HB GLU 19 1.242 13.018 7.031 145 2HB GLU 19 2HB GLU 19 2.085 13.527 5.560 146 1HG GLU 19 1HG GLU 19 -0.248 13.485 4.462 147 2HG GLU 19 2HG GLU 19 -0.886 13.371 6.101 148 H HIS 20 H HIS 20 3.268 11.937 3.989 149 HA HIS 20 HA HIS 20 1.649 12.601 1.564 150 1HB HIS 20 1HB HIS 20 4.533 13.242 2.358 151 2HB HIS 20 2HB HIS 20 3.784 13.747 0.869 152 HD1 HIS 20 1HD HIS 20 1.572 15.610 1.282 153 HD2 HIS 20 2HD HIS 20 4.082 14.634 4.558 154 HE1 HIS 20 1HE HIS 20 1.072 17.264 3.146 155 HE2 HIS 20 2HE HIS 20 2.629 16.725 5.093 156 H PHE 21 H PHE 21 1.302 10.440 0.831 157 HA PHE 21 HA PHE 21 3.043 8.383 0.415 158 1HB PHE 21 1HB PHE 21 0.804 8.204 -0.403 159 2HB PHE 21 2HB PHE 21 0.994 9.572 -1.496 160 HD1 PHE 21 1HD PHE 21 2.184 6.059 -0.863 161 HD2 PHE 21 2HD PHE 21 1.884 9.292 -3.695 162 HE1 PHE 21 1HE PHE 21 3.068 4.589 -2.638 163 HE2 PHE 21 2HE PHE 21 2.738 7.777 -5.504 164 HZ PHE 21 HZ PHE 21 3.414 5.481 -4.932 165 H GLY 22 H GLY 22 2.913 11.248 -1.847 166 1HA GLY 22 1HA GLY 22 5.162 10.209 -3.340 167 2HA GLY 22 2HA GLY 22 4.338 11.743 -3.555 168 H ARG 23 H ARG 23 5.412 11.285 -0.318 169 HA ARG 23 HA ARG 23 8.152 11.936 -0.638 170 1HB ARG 23 1HB ARG 23 7.083 14.251 -0.783 171 2HB ARG 23 2HB ARG 23 6.379 14.005 0.800 172 1HG ARG 23 1HG ARG 23 8.397 15.407 0.892 173 2HG ARG 23 2HG ARG 23 8.614 13.903 1.805 174 1HD ARG 23 1HD ARG 23 9.927 12.946 -0.009 175 2HD ARG 23 2HD ARG 23 9.530 14.274 -1.073 176 HE ARG 23 HE ARG 23 11.101 15.651 -0.116 177 1HH1 ARG 23 2HH2 ARG 23 11.019 12.551 1.595 178 2HH1 ARG 23 1HH2 ARG 23 12.704 12.532 1.926 179 1HH2 ARG 23 2HH1 ARG 23 13.427 15.466 0.171 180 2HH2 ARG 23 1HH1 ARG 23 14.047 14.388 1.377 181 H ALA 24 H ALA 24 7.255 9.684 0.081 182 HA ALA 24 HA ALA 24 7.076 9.525 3.041 183 1HB ALA 24 1HB ALA 24 6.328 7.481 0.911 184 2HB ALA 24 2HB ALA 24 6.195 7.274 2.664 185 3HB ALA 24 3HB ALA 24 5.175 8.483 1.823 186 HA PRO 25 HA PRO 25 11.239 8.090 2.129 187 1HB PRO 25 1HB PRO 25 11.945 7.025 4.589 188 2HB PRO 25 2HB PRO 25 11.901 8.764 4.191 189 1HG PRO 25 1HG PRO 25 9.901 7.098 5.664 190 2HG PRO 25 2HG PRO 25 10.393 8.783 5.985 191 1HD PRO 25 1HD PRO 25 8.064 8.060 4.670 192 2HD PRO 25 2HD PRO 25 8.909 9.605 4.420 193 H TYR 26 H TYR 26 8.719 5.770 3.124 194 HA TYR 26 HA TYR 26 10.126 3.635 1.652 195 1HB TYR 26 1HB TYR 26 8.991 3.365 4.424 196 2HB TYR 26 2HB TYR 26 9.712 2.069 3.492 197 HD1 TYR 26 1HD TYR 26 10.314 5.004 5.635 198 HD2 TYR 26 2HD TYR 26 12.116 1.686 3.565 199 HE1 TYR 26 1HE TYR 26 12.447 5.439 6.818 200 HE2 TYR 26 2HE TYR 26 14.245 2.114 4.717 201 HH TYR 26 HH TYR 26 15.424 3.513 6.167 202 H PHE 27 H PHE 27 8.613 1.791 1.319 203 HA PHE 27 HA PHE 27 5.715 2.445 1.574 204 1HB PHE 27 1HB PHE 27 7.122 1.351 -0.889 205 2HB PHE 27 2HB PHE 27 5.402 1.422 -0.698 206 HD1 PHE 27 1HD PHE 27 7.561 2.864 -2.697 207 HD2 PHE 27 2HD PHE 27 5.079 4.201 0.569 208 HE1 PHE 27 1HE PHE 27 7.368 5.096 -3.739 209 HE2 PHE 27 2HE PHE 27 4.863 6.389 -0.480 210 HZ PHE 27 HZ PHE 27 5.980 6.871 -2.623 211 H ALA 28 H ALA 28 5.028 0.977 2.993 212 HA ALA 28 HA ALA 28 6.079 -1.788 3.139 213 1HB ALA 28 1HB ALA 28 3.923 -0.207 4.662 214 2HB ALA 28 2HB ALA 28 4.347 -1.902 4.962 215 3HB ALA 28 3HB ALA 28 5.549 -0.632 5.239 216 H PHE 29 H PHE 29 5.414 -2.530 1.054 217 HA PHE 29 HA PHE 29 2.553 -2.578 0.283 218 1HB PHE 29 1HB PHE 29 5.183 -3.041 -1.034 219 2HB PHE 29 2HB PHE 29 3.970 -4.236 -1.440 220 HD1 PHE 29 1HD PHE 29 5.405 -1.623 -2.912 221 HD2 PHE 29 2HD PHE 29 1.414 -2.790 -1.740 222 HE1 PHE 29 1HE PHE 29 4.414 -0.399 -4.839 223 HE2 PHE 29 2HE PHE 29 0.473 -1.314 -3.426 224 HZ PHE 29 HZ PHE 29 1.928 -0.170 -5.054 225 H VAL 30 H VAL 30 1.665 -3.709 1.993 226 HA VAL 30 HA VAL 30 2.793 -6.325 2.747 227 HB VAL 30 HB VAL 30 -0.001 -5.324 3.357 228 1HG1 VAL 30 1HG1 VAL 30 2.045 -7.018 4.884 229 2HG1 VAL 30 2HG1 VAL 30 0.461 -6.568 5.527 230 3HG1 VAL 30 3HG1 VAL 30 0.571 -7.614 4.114 231 1HG2 VAL 30 1HG2 VAL 30 1.371 -3.383 3.990 232 2HG2 VAL 30 2HG2 VAL 30 0.695 -4.212 5.392 233 3HG2 VAL 30 3HG2 VAL 30 2.395 -4.446 4.988 234 H LYS 31 H LYS 31 1.560 -8.382 2.340 235 HA LYS 31 HA LYS 31 0.127 -8.207 -0.286 236 1HB LYS 31 1HB LYS 31 1.695 -10.466 1.053 237 2HB LYS 31 2HB LYS 31 0.804 -10.619 -0.461 238 1HG LYS 31 1HG LYS 31 2.137 -8.432 -1.144 239 2HG LYS 31 2HG LYS 31 3.213 -8.883 0.147 240 1HD LYS 31 1HD LYS 31 3.706 -11.022 -0.983 241 2HD LYS 31 2HD LYS 31 2.575 -10.590 -2.299 242 1HE LYS 31 1HE LYS 31 3.895 -8.424 -2.604 243 2HE LYS 31 2HE LYS 31 5.055 -9.042 -1.425 244 1HZ LYS 31 1HZ LYS 31 5.937 -9.508 -3.455 245 2HZ LYS 31 2HZ LYS 31 5.341 -10.968 -3.021 246 3HZ LYS 31 3HZ LYS 31 4.567 -10.033 -4.153 247 H VAL 32 H VAL 32 -1.344 -10.572 -0.251 248 HA VAL 32 HA VAL 32 -2.828 -10.699 2.212 249 HB VAL 32 HB VAL 32 -4.374 -10.197 -0.375 250 1HG1 VAL 32 1HG1 VAL 32 -5.631 -11.475 1.325 251 2HG1 VAL 32 2HG1 VAL 32 -5.314 -10.183 2.508 252 3HG1 VAL 32 3HG1 VAL 32 -6.328 -9.868 1.090 253 1HG2 VAL 32 1HG2 VAL 32 -3.335 -8.041 0.127 254 2HG2 VAL 32 2HG2 VAL 32 -5.079 -7.985 0.513 255 3HG2 VAL 32 3HG2 VAL 32 -3.886 -8.177 1.798 256 H LYS 33 H LYS 33 -3.731 -12.748 2.382 257 HA LYS 33 HA LYS 33 -3.999 -14.567 0.061 258 1HB LYS 33 1HB LYS 33 -1.868 -15.277 0.915 259 2HB LYS 33 2HB LYS 33 -2.359 -15.018 2.585 260 1HG LYS 33 1HG LYS 33 -2.146 -17.304 2.298 261 2HG LYS 33 2HG LYS 33 -3.877 -17.027 2.378 262 1HD LYS 33 1HD LYS 33 -2.399 -17.224 -0.292 263 2HD LYS 33 2HD LYS 33 -2.860 -18.666 0.625 264 1HE LYS 33 1HE LYS 33 -5.205 -18.070 0.576 265 2HE LYS 33 2HE LYS 33 -4.849 -16.536 -0.236 266 1HZ LYS 33 1HZ LYS 33 -4.275 -17.618 -2.165 267 2HZ LYS 33 2HZ LYS 33 -4.129 -19.101 -1.458 268 3HZ LYS 33 3HZ LYS 33 -5.607 -18.437 -1.676 269 H ASN 34 H ASN 34 -6.255 -14.870 0.223 270 HA ASN 34 HA ASN 34 -8.350 -15.156 1.133 271 1HB ASN 34 1HB ASN 34 -6.641 -17.145 2.676 272 2HB ASN 34 2HB ASN 34 -8.360 -17.028 2.931 273 1HD2 ASN 34 1HD2 ASN 34 -7.719 -16.522 -0.535 274 2HD2 ASN 34 2HD2 ASN 34 -8.009 -18.197 -0.880 275 H ASN 35 H ASN 35 -7.890 -12.824 1.927 276 HA ASN 35 HA ASN 35 -8.272 -11.178 3.385 277 1HB ASN 35 1HB ASN 35 -10.222 -12.994 3.863 278 2HB ASN 35 2HB ASN 35 -9.479 -12.966 5.457 279 1HD2 ASN 35 1HD2 ASN 35 -10.489 -11.430 6.818 280 2HD2 ASN 35 2HD2 ASN 35 -11.393 -10.074 6.206 281 H ALA 36 H ALA 36 -5.858 -13.204 4.061 282 HA ALA 36 HA ALA 36 -5.236 -12.024 6.691 283 1HB ALA 36 1HB ALA 36 -4.410 -14.712 5.477 284 2HB ALA 36 2HB ALA 36 -3.840 -14.075 6.998 285 3HB ALA 36 3HB ALA 36 -5.557 -14.478 6.817 286 H ILE 37 H ILE 37 -2.608 -12.055 6.857 287 HA ILE 37 HA ILE 37 -1.934 -10.008 5.135 288 HB ILE 37 HB ILE 37 -0.666 -11.559 7.382 289 1HG1 ILE 37 1HG1 ILE 37 -0.480 -9.342 8.418 290 2HG1 ILE 37 2HG1 ILE 37 -1.003 -8.570 6.926 291 1HG2 ILE 37 1HG2 ILE 37 0.992 -9.586 5.762 292 2HG2 ILE 37 2HG2 ILE 37 1.406 -10.206 7.366 293 3HG2 ILE 37 3HG2 ILE 37 1.325 -11.314 5.994 294 1HD1 ILE 37 1HD1 ILE 37 -2.719 -10.440 8.615 295 2HD1 ILE 37 2HD1 ILE 37 -2.755 -8.668 8.679 296 3HD1 ILE 37 3HD1 ILE 37 -3.257 -9.493 7.198 297 H ALA 38 H ALA 38 -1.396 -13.326 4.554 298 HA ALA 38 HA ALA 38 0.067 -14.552 3.332 299 1HB ALA 38 1HB ALA 38 -0.788 -13.514 1.321 300 2HB ALA 38 2HB ALA 38 0.165 -12.073 1.587 301 3HB ALA 38 3HB ALA 38 0.976 -13.603 1.197 302 H ASP 39 H ASP 39 1.513 -11.300 3.160 303 HA ASP 39 HA ASP 39 4.063 -12.157 4.308 304 1HB ASP 39 1HB ASP 39 3.784 -13.051 1.796 305 2HB ASP 39 2HB ASP 39 4.101 -11.358 1.384 306 H ILE 40 H ILE 40 5.772 -10.311 3.798 307 HA ILE 40 HA ILE 40 4.467 -7.641 3.896 308 HB ILE 40 HB ILE 40 6.494 -9.042 5.632 309 1HG1 ILE 40 1HG1 ILE 40 3.907 -9.049 6.137 310 2HG1 ILE 40 2HG1 ILE 40 5.109 -8.972 7.396 311 1HG2 ILE 40 1HG2 ILE 40 7.076 -7.048 6.826 312 2HG2 ILE 40 2HG2 ILE 40 7.500 -6.880 5.133 313 3HG2 ILE 40 3HG2 ILE 40 6.052 -6.078 5.784 314 1HD1 ILE 40 1HD1 ILE 40 3.139 -7.437 7.759 315 2HD1 ILE 40 2HD1 ILE 40 4.701 -6.619 7.783 316 3HD1 ILE 40 3HD1 ILE 40 3.655 -6.507 6.350 317 H SER 41 H SER 41 5.573 -6.116 2.583 318 HA SER 41 HA SER 41 8.386 -6.522 1.850 319 1HB SER 41 1HB SER 41 5.996 -6.306 0.026 320 2HB SER 41 2HB SER 41 7.387 -5.320 -0.357 321 HG SER 41 HG SER 41 7.525 -8.093 0.279 322 H VAL 42 H VAL 42 9.426 -4.751 2.629 323 HA VAL 42 HA VAL 42 7.991 -2.166 2.770 324 HB VAL 42 HB VAL 42 9.467 -3.447 5.048 325 1HG1 VAL 42 1HG1 VAL 42 8.805 -1.528 6.407 326 2HG1 VAL 42 2HG1 VAL 42 9.747 -0.997 5.008 327 3HG1 VAL 42 3HG1 VAL 42 7.993 -0.795 4.993 328 1HG2 VAL 42 1HG2 VAL 42 7.315 -4.497 4.873 329 2HG2 VAL 42 2HG2 VAL 42 7.451 -3.549 6.343 330 3HG2 VAL 42 3HG2 VAL 42 6.514 -2.932 4.966 331 H GLU 43 H GLU 43 9.132 -1.854 0.926 332 HA GLU 43 HA GLU 43 12.079 -1.836 1.054 333 1HB GLU 43 1HB GLU 43 10.206 -1.112 -1.231 334 2HB GLU 43 2HB GLU 43 11.955 -1.272 -1.347 335 1HG GLU 43 1HG GLU 43 10.119 -3.581 -0.537 336 2HG GLU 43 2HG GLU 43 10.590 -3.251 -2.176 337 H GLU 44 H GLU 44 13.266 0.107 0.443 338 HA GLU 44 HA GLU 44 12.265 2.561 1.626 339 1HB GLU 44 1HB GLU 44 14.640 2.077 -0.241 340 2HB GLU 44 2HB GLU 44 14.305 3.570 0.620 341 1HG GLU 44 1HG GLU 44 14.343 1.500 2.599 342 2HG GLU 44 2HG GLU 44 15.656 1.125 1.528 343 H ASN 45 H ASN 45 12.067 4.590 0.278 344 HA ASN 45 HA ASN 45 10.632 4.028 -2.270 345 1HB ASN 45 1HB ASN 45 9.270 5.226 -0.714 346 2HB ASN 45 2HB ASN 45 10.576 6.374 -0.376 347 1HD2 ASN 45 1HD2 ASN 45 9.020 8.027 -0.986 348 2HD2 ASN 45 2HD2 ASN 45 8.795 8.431 -2.704 349 HA PRO 46 HA PRO 46 14.779 5.373 -3.542 350 1HB PRO 46 1HB PRO 46 14.638 4.773 -6.251 351 2HB PRO 46 2HB PRO 46 15.011 3.631 -4.945 352 1HG PRO 46 1HG PRO 46 12.340 4.149 -6.290 353 2HG PRO 46 2HG PRO 46 13.091 2.572 -5.914 354 1HD PRO 46 1HD PRO 46 11.192 3.622 -4.302 355 2HD PRO 46 2HD PRO 46 12.617 2.786 -3.606 356 H LEU 47 H LEU 47 11.813 6.782 -4.566 357 HA LEU 47 HA LEU 47 13.404 9.179 -5.471 358 1HB LEU 47 1HB LEU 47 10.783 8.201 -6.534 359 2HB LEU 47 2HB LEU 47 11.456 9.787 -6.909 360 HG LEU 47 HG LEU 47 13.473 7.796 -7.431 361 1HD1 LEU 47 1HD1 LEU 47 10.907 7.204 -8.902 362 2HD1 LEU 47 2HD1 LEU 47 12.500 6.458 -9.167 363 3HD1 LEU 47 3HD1 LEU 47 11.649 6.192 -7.654 364 1HD2 LEU 47 1HD2 LEU 47 11.916 9.438 -9.439 365 2HD2 LEU 47 2HD2 LEU 47 13.205 10.091 -8.413 366 3HD2 LEU 47 3HD2 LEU 47 13.597 8.826 -9.559 367 H ALA 48 H ALA 48 12.629 8.421 -2.786 368 HA ALA 48 HA ALA 48 10.557 10.152 -1.798 369 1HB ALA 48 1HB ALA 48 13.166 9.120 -0.585 370 2HB ALA 48 2HB ALA 48 11.897 9.955 0.322 371 3HB ALA 48 3HB ALA 48 11.559 8.381 -0.422 372 H GLN 49 H GLN 49 13.975 10.652 -2.667 373 HA GLN 49 HA GLN 49 13.714 13.548 -1.918 374 1HB GLN 49 1HB GLN 49 15.940 13.472 -0.939 375 2HB GLN 49 2HB GLN 49 14.810 12.427 -0.085 376 1HG GLN 49 1HG GLN 49 15.732 10.431 -1.140 377 2HG GLN 49 2HG GLN 49 16.760 11.409 -2.187 378 1HE2 GLN 49 1HE2 GLN 49 16.832 12.837 0.975 379 2HE2 GLN 49 2HE2 GLN 49 18.260 11.977 1.509 380 H ASP 50 H ASP 50 14.106 11.572 -4.408 381 HA ASP 50 HA ASP 50 16.096 13.181 -5.901 382 1HB ASP 50 1HB ASP 50 16.203 10.733 -5.952 383 2HB ASP 50 2HB ASP 50 14.561 10.636 -6.562 384 H HIS 51 H HIS 51 13.414 11.987 -7.790 385 HA HIS 51 HA HIS 51 12.572 14.675 -8.389 386 1HB HIS 51 1HB HIS 51 11.341 12.039 -9.193 387 2HB HIS 51 2HB HIS 51 10.911 13.606 -9.867 388 HD1 HIS 51 1HD HIS 51 12.064 11.182 -11.598 389 HD2 HIS 51 2HD HIS 51 14.330 14.304 -9.895 390 HE1 HIS 51 1HE HIS 51 14.335 11.222 -12.794 391 HE2 HIS 51 2HE HIS 51 15.689 13.031 -11.741 392 H VAL 52 H VAL 52 11.428 12.708 -5.821 393 HA VAL 52 HA VAL 52 9.670 12.774 -4.450 394 HB VAL 52 HB VAL 52 9.668 15.689 -5.289 395 1HG1 VAL 52 1HG1 VAL 52 8.697 16.090 -3.008 396 2HG1 VAL 52 2HG1 VAL 52 7.600 15.246 -4.100 397 3HG1 VAL 52 3HG1 VAL 52 8.445 14.326 -2.865 398 1HG2 VAL 52 1HG2 VAL 52 11.861 14.968 -4.448 399 2HG2 VAL 52 2HG2 VAL 52 11.059 16.028 -3.302 400 3HG2 VAL 52 3HG2 VAL 52 11.088 14.283 -3.008 401 H HIS 53 H HIS 53 8.061 15.092 -6.707 402 HA HIS 53 HA HIS 53 5.788 13.185 -6.749 403 1HB HIS 53 1HB HIS 53 5.866 16.174 -7.029 404 2HB HIS 53 2HB HIS 53 4.426 15.210 -7.340 405 HD1 HIS 53 1HD HIS 53 5.510 17.159 -4.574 406 HD2 HIS 53 2HD HIS 53 4.059 13.231 -5.159 407 HE1 HIS 53 1HE HIS 53 4.523 16.411 -2.360 408 HE2 HIS 53 2HE HIS 53 3.555 14.053 -2.726 409 H GLY 54 H GLY 54 8.007 12.705 -8.648 410 1HA GLY 54 1HA GLY 54 6.205 12.194 -10.844 411 2HA GLY 54 2HA GLY 54 7.402 13.416 -11.237 412 H ALA 55 H ALA 55 6.757 10.196 -11.098 413 HA ALA 55 HA ALA 55 7.794 8.399 -11.935 414 1HB ALA 55 1HB ALA 55 10.521 9.490 -11.192 415 2HB ALA 55 2HB ALA 55 10.144 8.052 -12.147 416 3HB ALA 55 3HB ALA 55 9.748 9.646 -12.796 417 H VAL 56 H VAL 56 8.147 9.580 -8.629 418 HA VAL 56 HA VAL 56 8.791 7.189 -7.311 419 HB VAL 56 HB VAL 56 6.823 9.394 -6.817 420 1HG1 VAL 56 1HG1 VAL 56 5.972 8.421 -4.673 421 2HG1 VAL 56 2HG1 VAL 56 5.313 7.644 -6.113 422 3HG1 VAL 56 3HG1 VAL 56 6.608 6.857 -5.192 423 1HG2 VAL 56 1HG2 VAL 56 8.900 8.121 -5.017 424 2HG2 VAL 56 2HG2 VAL 56 9.114 9.583 -5.975 425 3HG2 VAL 56 3HG2 VAL 56 7.971 9.590 -4.642 426 HA PRO 57 HA PRO 57 4.511 5.314 -8.187 427 1HB PRO 57 1HB PRO 57 3.269 6.215 -10.563 428 2HB PRO 57 2HB PRO 57 2.755 6.470 -8.851 429 1HG PRO 57 1HG PRO 57 3.771 8.439 -10.700 430 2HG PRO 57 2HG PRO 57 3.196 8.652 -9.018 431 1HD PRO 57 1HD PRO 57 5.907 8.518 -10.044 432 2HD PRO 57 2HD PRO 57 5.363 8.978 -8.412 433 H ASN 58 H ASN 58 6.941 6.073 -10.576 434 HA ASN 58 HA ASN 58 6.254 3.987 -12.452 435 1HB ASN 58 1HB ASN 58 7.663 6.135 -12.872 436 2HB ASN 58 2HB ASN 58 8.991 5.252 -12.092 437 1HD2 ASN 58 1HD2 ASN 58 10.153 5.417 -14.216 438 2HD2 ASN 58 2HD2 ASN 58 9.668 4.332 -15.479 439 H PHE 59 H PHE 59 8.076 4.245 -9.449 440 HA PHE 59 HA PHE 59 9.206 1.572 -9.512 441 1HB PHE 59 1HB PHE 59 10.222 3.172 -8.043 442 2HB PHE 59 2HB PHE 59 8.677 3.632 -7.359 443 HD1 PHE 59 1HD PHE 59 10.955 0.675 -7.644 444 HD2 PHE 59 2HD PHE 59 7.974 2.714 -5.322 445 HE1 PHE 59 1HE PHE 59 11.217 -1.005 -5.819 446 HE2 PHE 59 2HE PHE 59 8.210 0.980 -3.516 447 HZ PHE 59 HZ PHE 59 9.875 -0.804 -3.746 448 H VAL 60 H VAL 60 6.523 2.955 -7.507 449 HA VAL 60 HA VAL 60 5.777 0.380 -6.670 450 HB VAL 60 HB VAL 60 3.560 1.476 -5.984 451 1HG1 VAL 60 1HG1 VAL 60 5.689 1.278 -4.479 452 2HG1 VAL 60 2HG1 VAL 60 5.920 2.995 -4.843 453 3HG1 VAL 60 3HG1 VAL 60 4.448 2.459 -4.027 454 1HG2 VAL 60 1HG2 VAL 60 3.205 3.716 -6.056 455 2HG2 VAL 60 2HG2 VAL 60 4.881 4.077 -6.567 456 3HG2 VAL 60 3HG2 VAL 60 3.712 3.307 -7.693 457 H LYS 61 H LYS 61 4.520 2.010 -9.592 458 HA LYS 61 HA LYS 61 2.376 0.159 -9.944 459 1HB LYS 61 1HB LYS 61 2.840 2.374 -11.263 460 2HB LYS 61 2HB LYS 61 3.978 1.422 -12.198 461 1HG LYS 61 1HG LYS 61 1.723 -0.148 -12.454 462 2HG LYS 61 2HG LYS 61 0.965 1.434 -12.215 463 1HD LYS 61 1HD LYS 61 1.141 1.239 -14.515 464 2HD LYS 61 2HD LYS 61 2.501 2.288 -14.066 465 1HE LYS 61 1HE LYS 61 4.010 0.261 -14.143 466 2HE LYS 61 2HE LYS 61 2.626 -0.702 -14.690 467 1HZ LYS 61 1HZ LYS 61 2.492 0.683 -16.643 468 2HZ LYS 61 2HZ LYS 61 3.752 1.628 -16.139 469 3HZ LYS 61 3HZ LYS 61 4.013 0.071 -16.540 470 H GLU 62 H GLU 62 5.828 -0.071 -10.642 471 HA GLU 62 HA GLU 62 5.494 -2.524 -12.130 472 1HB GLU 62 1HB GLU 62 7.537 -2.227 -12.709 473 2HB GLU 62 2HB GLU 62 7.445 -0.645 -12.005 474 1HG GLU 62 1HG GLU 62 9.148 -1.074 -10.673 475 2HG GLU 62 2HG GLU 62 8.354 -2.416 -9.893 476 H LYS 63 H LYS 63 5.348 -1.744 -8.732 477 HA LYS 63 HA LYS 63 6.142 -4.467 -7.911 478 1HB LYS 63 1HB LYS 63 4.834 -2.242 -6.313 479 2HB LYS 63 2HB LYS 63 5.598 -3.672 -5.656 480 1HG LYS 63 1HG LYS 63 7.097 -1.535 -7.221 481 2HG LYS 63 2HG LYS 63 6.931 -1.526 -5.481 482 1HD LYS 63 1HD LYS 63 8.114 -3.957 -6.860 483 2HD LYS 63 2HD LYS 63 9.049 -2.485 -6.644 484 1HE LYS 63 1HE LYS 63 8.607 -2.551 -4.175 485 2HE LYS 63 2HE LYS 63 7.611 -3.972 -4.394 486 1HZ LYS 63 1HZ LYS 63 10.547 -3.773 -4.604 487 2HZ LYS 63 2HZ LYS 63 9.658 -4.764 -3.683 488 3HZ LYS 63 3HZ LYS 63 9.764 -5.044 -5.292 489 H GLY 64 H GLY 64 3.958 -4.286 -9.827 490 1HA GLY 64 1HA GLY 64 1.969 -5.316 -10.295 491 2HA GLY 64 2HA GLY 64 2.579 -6.476 -9.128 492 H ALA 65 H ALA 65 1.517 -3.271 -8.053 493 HA ALA 65 HA ALA 65 0.100 -4.501 -5.988 494 1HB ALA 65 1HB ALA 65 -0.296 -2.225 -5.227 495 2HB ALA 65 2HB ALA 65 1.339 -2.399 -5.899 496 3HB ALA 65 3HB ALA 65 0.089 -1.580 -6.853 497 H GLU 66 H GLU 66 -2.142 -3.465 -5.195 498 HA GLU 66 HA GLU 66 -4.220 -3.479 -7.270 499 1HB GLU 66 1HB GLU 66 -3.712 -5.715 -5.377 500 2HB GLU 66 2HB GLU 66 -5.392 -5.190 -5.540 501 1HG GLU 66 1HG GLU 66 -5.307 -5.440 -7.961 502 2HG GLU 66 2HG GLU 66 -3.596 -5.881 -7.907 503 H LEU 67 H LEU 67 -3.223 -2.955 -3.798 504 HA LEU 67 HA LEU 67 -5.475 -1.093 -3.536 505 1HB LEU 67 1HB LEU 67 -5.923 -3.435 -2.656 506 2HB LEU 67 2HB LEU 67 -4.606 -3.232 -1.532 507 HG LEU 67 HG LEU 67 -6.774 -3.096 -0.519 508 1HD1 LEU 67 1HD1 LEU 67 -6.021 -0.271 -0.131 509 2HD1 LEU 67 2HD1 LEU 67 -6.408 -1.535 1.022 510 3HD1 LEU 67 3HD1 LEU 67 -4.812 -1.503 0.250 511 1HD2 LEU 67 1HD2 LEU 67 -8.211 -2.304 -2.210 512 2HD2 LEU 67 2HD2 LEU 67 -8.281 -1.085 -0.908 513 3HD2 LEU 67 3HD2 LEU 67 -7.306 -0.782 -2.357 514 H VAL 68 H VAL 68 -5.102 0.493 -1.864 515 HA VAL 68 HA VAL 68 -2.341 0.844 -0.842 516 HB VAL 68 HB VAL 68 -3.669 3.118 -2.340 517 1HG1 VAL 68 1HG1 VAL 68 -1.676 3.474 -0.822 518 2HG1 VAL 68 2HG1 VAL 68 -0.742 2.450 -1.942 519 3HG1 VAL 68 3HG1 VAL 68 -1.424 4.010 -2.497 520 1HG2 VAL 68 1HG2 VAL 68 -2.321 2.716 -4.316 521 2HG2 VAL 68 2HG2 VAL 68 -1.758 1.158 -3.649 522 3HG2 VAL 68 3HG2 VAL 68 -3.474 1.419 -4.000 523 H ILE 69 H ILE 69 -2.290 2.202 1.076 524 HA ILE 69 HA ILE 69 -4.827 3.439 1.937 525 HB ILE 69 HB ILE 69 -3.230 1.535 3.701 526 1HG1 ILE 69 1HG1 ILE 69 -5.984 1.055 2.499 527 2HG1 ILE 69 2HG1 ILE 69 -4.499 0.264 1.985 528 1HG2 ILE 69 1HG2 ILE 69 -4.284 3.308 5.014 529 2HG2 ILE 69 2HG2 ILE 69 -5.836 3.033 4.137 530 3HG2 ILE 69 3HG2 ILE 69 -5.190 1.835 5.222 531 1HD1 ILE 69 1HD1 ILE 69 -5.887 -0.108 4.654 532 2HD1 ILE 69 2HD1 ILE 69 -5.615 -1.287 3.363 533 3HD1 ILE 69 3HD1 ILE 69 -4.245 -0.683 4.299 534 H VAL 70 H VAL 70 -4.254 5.572 2.296 535 HA VAL 70 HA VAL 70 -1.481 6.165 3.242 536 HB VAL 70 HB VAL 70 -1.302 7.997 1.631 537 1HG1 VAL 70 1HG1 VAL 70 -1.093 6.734 -0.496 538 2HG1 VAL 70 2HG1 VAL 70 -0.372 5.927 0.888 539 3HG1 VAL 70 3HG1 VAL 70 -1.908 5.366 0.268 540 1HG2 VAL 70 1HG2 VAL 70 -3.477 8.768 1.198 541 2HG2 VAL 70 2HG2 VAL 70 -3.024 7.978 -0.331 542 3HG2 VAL 70 3HG2 VAL 70 -4.070 7.157 0.789 543 H ARG 71 H ARG 71 -1.402 8.693 3.807 544 HA ARG 71 HA ARG 71 -3.959 9.356 5.188 545 1HB ARG 71 1HB ARG 71 -1.292 9.562 6.026 546 2HB ARG 71 2HB ARG 71 -1.798 11.217 5.673 547 1HG ARG 71 1HG ARG 71 -3.057 11.371 7.482 548 2HG ARG 71 2HG ARG 71 -3.833 9.808 7.203 549 1HD ARG 71 1HD ARG 71 -2.111 8.609 8.308 550 2HD ARG 71 2HD ARG 71 -1.053 10.000 8.417 551 HE ARG 71 HE ARG 71 -3.615 9.599 9.857 552 1HH1 ARG 71 2HH2 ARG 71 -0.431 11.204 9.770 553 2HH1 ARG 71 1HH2 ARG 71 -0.878 12.492 10.829 554 1HH2 ARG 71 2HH1 ARG 71 -4.035 11.077 11.686 555 2HH2 ARG 71 1HH1 ARG 71 -2.873 12.280 12.083 556 H GLY 72 H GLY 72 -1.580 11.497 3.578 557 1HA GLY 72 1HA GLY 72 -3.951 12.954 2.584 558 2HA GLY 72 2HA GLY 72 -2.362 13.614 2.929 559 H ILE 73 H ILE 73 -1.259 11.287 1.228 560 HA ILE 73 HA ILE 73 -0.184 11.374 -0.803 561 HB ILE 73 HB ILE 73 -1.711 9.619 -0.785 562 1HG1 ILE 73 1HG1 ILE 73 -2.153 10.509 -3.615 563 2HG1 ILE 73 2HG1 ILE 73 -0.507 10.266 -3.019 564 1HG2 ILE 73 1HG2 ILE 73 -3.870 10.692 -0.358 565 2HG2 ILE 73 2HG2 ILE 73 -3.873 11.415 -1.971 566 3HG2 ILE 73 3HG2 ILE 73 -4.004 9.664 -1.785 567 1HD1 ILE 73 1HD1 ILE 73 -1.448 8.261 -4.145 568 2HD1 ILE 73 2HD1 ILE 73 -0.994 7.937 -2.451 569 3HD1 ILE 73 3HD1 ILE 73 -2.691 8.150 -2.912 570 H GLY 74 H GLY 74 -2.391 12.183 -3.180 571 1HA GLY 74 1HA GLY 74 -2.589 14.884 -3.558 572 2HA GLY 74 2HA GLY 74 -0.884 14.601 -3.865 573 H ARG 75 H ARG 75 -3.262 15.259 -5.736 574 HA ARG 75 HA ARG 75 -4.356 13.138 -7.022 575 1HB ARG 75 1HB ARG 75 -5.043 15.492 -7.370 576 2HB ARG 75 2HB ARG 75 -3.592 15.765 -8.329 577 1HG ARG 75 1HG ARG 75 -5.323 15.476 -9.895 578 2HG ARG 75 2HG ARG 75 -4.409 14.004 -9.962 579 1HD ARG 75 1HD ARG 75 -6.382 12.932 -9.819 580 2HD ARG 75 2HD ARG 75 -6.362 13.324 -8.106 581 HE ARG 75 HE ARG 75 -7.957 15.015 -8.464 582 1HH1 ARG 75 2HH2 ARG 75 -6.959 13.663 -11.660 583 2HH1 ARG 75 1HH2 ARG 75 -8.140 14.558 -12.519 584 1HH2 ARG 75 2HH1 ARG 75 -9.862 15.749 -9.647 585 2HH2 ARG 75 1HH1 ARG 75 -9.857 15.643 -11.343 586 H ARG 76 H ARG 76 -1.212 14.581 -8.163 587 HA ARG 76 HA ARG 76 -0.963 13.006 -10.391 588 1HB ARG 76 1HB ARG 76 0.670 14.779 -9.664 589 2HB ARG 76 2HB ARG 76 1.324 13.661 -8.472 590 1HG ARG 76 1HG ARG 76 2.842 13.551 -10.290 591 2HG ARG 76 2HG ARG 76 1.904 12.087 -10.396 592 1HD ARG 76 1HD ARG 76 1.812 12.720 -12.598 593 2HD ARG 76 2HD ARG 76 0.398 13.608 -12.069 594 HE ARG 76 HE ARG 76 3.081 14.606 -12.766 595 1HH1 ARG 76 2HH2 ARG 76 -0.177 15.643 -11.544 596 2HH1 ARG 76 1HH2 ARG 76 0.024 17.225 -12.203 597 1HH2 ARG 76 2HH1 ARG 76 3.152 16.730 -13.647 598 2HH2 ARG 76 1HH1 ARG 76 1.818 17.825 -13.381 599 H ALA 77 H ALA 77 -0.689 11.805 -7.122 600 HA ALA 77 HA ALA 77 0.559 9.300 -8.073 601 1HB ALA 77 1HB ALA 77 1.487 10.152 -6.015 602 2HB ALA 77 2HB ALA 77 -0.139 10.308 -5.295 603 3HB ALA 77 3HB ALA 77 0.515 8.703 -5.655 604 H ILE 78 H ILE 78 -2.625 10.635 -7.168 605 HA ILE 78 HA ILE 78 -4.046 8.152 -6.822 606 HB ILE 78 HB ILE 78 -5.029 10.768 -7.987 607 1HG1 ILE 78 1HG1 ILE 78 -4.151 11.235 -5.774 608 2HG1 ILE 78 2HG1 ILE 78 -5.895 11.266 -5.805 609 1HG2 ILE 78 1HG2 ILE 78 -6.532 8.386 -6.858 610 2HG2 ILE 78 2HG2 ILE 78 -7.249 9.963 -7.286 611 3HG2 ILE 78 3HG2 ILE 78 -6.528 8.952 -8.533 612 1HD1 ILE 78 1HD1 ILE 78 -4.178 9.065 -4.641 613 2HD1 ILE 78 2HD1 ILE 78 -5.159 10.253 -3.759 614 3HD1 ILE 78 3HD1 ILE 78 -5.963 9.020 -4.728 615 H ALA 79 H ALA 79 -3.376 10.384 -9.551 616 HA ALA 79 HA ALA 79 -4.386 9.013 -11.694 617 1HB ALA 79 1HB ALA 79 -2.767 10.309 -13.032 618 2HB ALA 79 2HB ALA 79 -3.443 11.313 -11.719 619 3HB ALA 79 3HB ALA 79 -1.812 10.632 -11.600 620 H ALA 80 H ALA 80 -1.442 8.107 -9.871 621 HA ALA 80 HA ALA 80 -0.345 6.515 -12.000 622 1HB ALA 80 1HB ALA 80 1.001 7.540 -10.197 623 2HB ALA 80 2HB ALA 80 0.191 6.502 -8.991 624 3HB ALA 80 3HB ALA 80 1.142 5.771 -10.293 625 H PHE 81 H PHE 81 -2.007 5.663 -8.816 626 HA PHE 81 HA PHE 81 -2.255 2.983 -9.349 627 1HB PHE 81 1HB PHE 81 -3.724 5.019 -7.642 628 2HB PHE 81 2HB PHE 81 -3.893 3.293 -7.434 629 HD1 PHE 81 1HD PHE 81 -2.418 5.934 -5.886 630 HD2 PHE 81 2HD PHE 81 -1.235 2.151 -7.573 631 HE1 PHE 81 1HE PHE 81 -0.413 5.884 -4.429 632 HE2 PHE 81 2HE PHE 81 0.742 2.116 -6.118 633 HZ PHE 81 HZ PHE 81 1.165 3.966 -4.517 634 H GLU 82 H GLU 82 -4.363 5.769 -10.226 635 HA GLU 82 HA GLU 82 -6.541 4.396 -11.296 636 1HB GLU 82 1HB GLU 82 -5.065 6.906 -12.156 637 2HB GLU 82 2HB GLU 82 -6.528 6.398 -12.957 638 1HG GLU 82 1HG GLU 82 -6.557 6.731 -9.942 639 2HG GLU 82 2HG GLU 82 -6.549 8.152 -10.990 640 H ALA 83 H ALA 83 -3.197 4.584 -12.610 641 HA ALA 83 HA ALA 83 -4.035 3.868 -15.299 642 1HB ALA 83 1HB ALA 83 -1.267 3.838 -14.059 643 2HB ALA 83 2HB ALA 83 -1.685 3.948 -15.778 644 3HB ALA 83 3HB ALA 83 -2.036 5.321 -14.705 645 H MET 84 H MET 84 -3.586 2.156 -12.402 646 HA MET 84 HA MET 84 -3.094 -0.419 -13.827 647 1HB MET 84 1HB MET 84 -1.950 -1.109 -11.650 648 2HB MET 84 2HB MET 84 -1.061 -0.061 -12.771 649 1HG MET 84 1HG MET 84 -1.555 1.875 -11.420 650 2HG MET 84 2HG MET 84 -2.581 0.933 -10.376 651 1HE MET 84 1HE MET 84 0.509 -1.364 -10.877 652 2HE MET 84 2HE MET 84 0.842 -1.367 -9.145 653 3HE MET 84 3HE MET 84 -0.797 -1.706 -9.728 654 H GLY 85 H GLY 85 -5.562 1.244 -12.604 655 1HA GLY 85 1HA GLY 85 -7.570 0.654 -11.670 656 2HA GLY 85 2HA GLY 85 -7.128 -1.046 -11.946 657 H VAL 86 H VAL 86 -5.031 0.999 -10.018 658 HA VAL 86 HA VAL 86 -5.478 -0.803 -7.738 659 HB VAL 86 HB VAL 86 -3.382 1.336 -8.417 660 1HG1 VAL 86 1HG1 VAL 86 -3.707 1.541 -6.070 661 2HG1 VAL 86 2HG1 VAL 86 -3.790 -0.207 -5.810 662 3HG1 VAL 86 3HG1 VAL 86 -2.249 0.541 -6.277 663 1HG2 VAL 86 1HG2 VAL 86 -3.418 -1.684 -7.885 664 2HG2 VAL 86 2HG2 VAL 86 -3.164 -0.943 -9.443 665 3HG2 VAL 86 3HG2 VAL 86 -1.957 -0.751 -8.154 666 H LYS 87 H LYS 87 -6.941 -0.448 -6.246 667 HA LYS 87 HA LYS 87 -8.381 2.063 -6.087 668 1HB LYS 87 1HB LYS 87 -9.282 -0.292 -5.582 669 2HB LYS 87 2HB LYS 87 -8.436 -0.181 -4.049 670 1HG LYS 87 1HG LYS 87 -9.819 2.227 -4.113 671 2HG LYS 87 2HG LYS 87 -10.886 1.190 -5.032 672 1HD LYS 87 1HD LYS 87 -9.864 0.434 -2.249 673 2HD LYS 87 2HD LYS 87 -11.192 1.547 -2.483 674 1HE LYS 87 1HE LYS 87 -12.333 -0.402 -2.151 675 2HE LYS 87 2HE LYS 87 -12.340 -0.259 -3.909 676 1HZ LYS 87 1HZ LYS 87 -11.821 -2.485 -3.004 677 2HZ LYS 87 2HZ LYS 87 -10.687 -1.957 -4.039 678 3HZ LYS 87 3HZ LYS 87 -10.415 -1.937 -2.395 679 H VAL 88 H VAL 88 -8.280 3.689 -4.395 680 HA VAL 88 HA VAL 88 -5.844 3.554 -2.674 681 HB VAL 88 HB VAL 88 -6.847 5.924 -4.343 682 1HG1 VAL 88 1HG1 VAL 88 -4.794 7.036 -3.842 683 2HG1 VAL 88 2HG1 VAL 88 -5.508 6.573 -2.302 684 3HG1 VAL 88 3HG1 VAL 88 -4.129 5.645 -3.010 685 1HG2 VAL 88 1HG2 VAL 88 -5.950 4.286 -5.883 686 2HG2 VAL 88 2HG2 VAL 88 -4.820 5.610 -5.728 687 3HG2 VAL 88 3HG2 VAL 88 -4.496 4.063 -4.891 688 H ILE 89 H ILE 89 -6.565 3.537 -0.578 689 HA ILE 89 HA ILE 89 -8.928 5.138 0.247 690 HB ILE 89 HB ILE 89 -7.286 2.948 1.562 691 1HG1 ILE 89 1HG1 ILE 89 -10.247 2.722 1.001 692 2HG1 ILE 89 2HG1 ILE 89 -9.145 2.484 -0.316 693 1HG2 ILE 89 1HG2 ILE 89 -9.570 4.575 2.697 694 2HG2 ILE 89 2HG2 ILE 89 -9.084 3.009 3.375 695 3HG2 ILE 89 3HG2 ILE 89 -7.958 4.367 3.367 696 1HD1 ILE 89 1HD1 ILE 89 -9.692 0.371 0.742 697 2HD1 ILE 89 2HD1 ILE 89 -7.979 0.722 1.005 698 3HD1 ILE 89 3HD1 ILE 89 -9.135 0.971 2.327 699 H LYS 90 H LYS 90 -8.718 6.687 2.053 700 HA LYS 90 HA LYS 90 -5.975 7.643 2.580 701 1HB LYS 90 1HB LYS 90 -8.321 9.354 1.738 702 2HB LYS 90 2HB LYS 90 -6.783 9.920 2.276 703 1HG LYS 90 1HG LYS 90 -6.430 10.140 0.057 704 2HG LYS 90 2HG LYS 90 -5.781 8.536 0.330 705 1HD LYS 90 1HD LYS 90 -7.012 8.482 -1.693 706 2HD LYS 90 2HD LYS 90 -7.967 7.558 -0.545 707 1HE LYS 90 1HE LYS 90 -8.484 10.507 -1.050 708 2HE LYS 90 2HE LYS 90 -9.104 9.250 -2.117 709 1HZ LYS 90 1HZ LYS 90 -10.646 8.654 -0.748 710 2HZ LYS 90 2HZ LYS 90 -9.778 8.854 0.670 711 3HZ LYS 90 3HZ LYS 90 -10.438 10.132 -0.120 712 H GLY 91 H GLY 91 -6.538 9.738 4.223 713 1HA GLY 91 1HA GLY 91 -7.453 10.450 6.181 714 2HA GLY 91 2HA GLY 91 -8.811 9.427 5.739 715 H ALA 92 H ALA 92 -5.949 7.543 6.224 716 HA ALA 92 HA ALA 92 -7.236 6.476 8.670 717 1HB ALA 92 1HB ALA 92 -4.965 5.261 7.067 718 2HB ALA 92 2HB ALA 92 -5.887 4.501 8.381 719 3HB ALA 92 3HB ALA 92 -6.687 4.932 6.866 720 H SER 93 H SER 93 -5.057 5.320 10.011 721 HA SER 93 HA SER 93 -2.966 7.084 10.608 722 1HB SER 93 1HB SER 93 -3.729 8.318 12.310 723 2HB SER 93 2HB SER 93 -5.361 7.932 11.794 724 HG SER 93 HG SER 93 -5.288 6.140 13.333 725 H GLY 94 H GLY 94 -1.548 5.954 12.219 726 1HA GLY 94 1HA GLY 94 -1.445 4.283 13.978 727 2HA GLY 94 2HA GLY 94 -2.452 3.210 13.005 728 H THR 95 H THR 95 -0.548 1.700 13.520 729 HA THR 95 HA THR 95 1.789 2.046 11.778 730 HB THR 95 HB THR 95 2.306 -0.244 12.699 731 HG1 THR 95 1HG THR 95 1.001 -1.046 14.323 732 1HG2 THR 95 1HG2 THR 95 3.057 1.875 13.848 733 2HG2 THR 95 2HG2 THR 95 1.632 1.746 14.903 734 3HG2 THR 95 3HG2 THR 95 2.880 0.483 14.932 735 H VAL 96 H VAL 96 2.247 0.147 10.317 736 HA VAL 96 HA VAL 96 0.326 0.041 8.263 737 HB VAL 96 HB VAL 96 2.655 -1.777 8.954 738 1HG1 VAL 96 1HG1 VAL 96 2.620 -2.541 6.622 739 2HG1 VAL 96 2HG1 VAL 96 1.017 -2.852 7.321 740 3HG1 VAL 96 3HG1 VAL 96 1.282 -1.465 6.255 741 1HG2 VAL 96 1HG2 VAL 96 2.509 0.461 6.909 742 2HG2 VAL 96 2HG2 VAL 96 3.230 0.572 8.515 743 3HG2 VAL 96 3HG2 VAL 96 3.924 -0.532 7.321 744 H GLU 97 H GLU 97 1.183 -2.479 10.685 745 HA GLU 97 HA GLU 97 -0.431 -4.538 9.782 746 1HB GLU 97 1HB GLU 97 -0.380 -5.383 12.119 747 2HB GLU 97 2HB GLU 97 1.168 -4.976 11.392 748 1HG GLU 97 1HG GLU 97 1.120 -2.757 12.613 749 2HG GLU 97 2HG GLU 97 -0.388 -3.293 13.355 750 H GLU 98 H GLU 98 -1.248 -1.766 11.752 751 HA GLU 98 HA GLU 98 -3.870 -2.685 12.650 752 1HB GLU 98 1HB GLU 98 -2.369 -1.289 14.068 753 2HB GLU 98 2HB GLU 98 -2.507 0.040 12.910 754 1HG GLU 98 1HG GLU 98 -5.010 0.026 13.281 755 2HG GLU 98 2HG GLU 98 -4.778 -1.210 14.520 756 H VAL 99 H VAL 99 -2.605 -0.080 10.518 757 HA VAL 99 HA VAL 99 -5.002 0.916 9.455 758 HB VAL 99 HB VAL 99 -2.153 0.579 8.425 759 1HG1 VAL 99 1HG1 VAL 99 -2.593 2.090 6.589 760 2HG1 VAL 99 2HG1 VAL 99 -3.550 0.615 6.405 761 3HG1 VAL 99 3HG1 VAL 99 -4.316 2.098 7.048 762 1HG2 VAL 99 1HG2 VAL 99 -3.756 3.113 8.929 763 2HG2 VAL 99 2HG2 VAL 99 -2.823 2.315 10.235 764 3HG2 VAL 99 3HG2 VAL 99 -1.997 2.939 8.802 765 H VAL 100 H VAL 100 -3.469 -2.165 8.886 766 HA VAL 100 HA VAL 100 -4.993 -2.642 6.380 767 HB VAL 100 HB VAL 100 -2.873 -4.263 7.850 768 1HG1 VAL 100 1HG1 VAL 100 -4.372 -5.907 6.903 769 2HG1 VAL 100 2HG1 VAL 100 -4.527 -4.963 5.395 770 3HG1 VAL 100 3HG1 VAL 100 -2.995 -5.752 5.810 771 1HG2 VAL 100 1HG2 VAL 100 -1.585 -3.853 5.776 772 2HG2 VAL 100 2HG2 VAL 100 -2.952 -2.948 5.092 773 3HG2 VAL 100 3HG2 VAL 100 -2.093 -2.322 6.497 774 H ASN 101 H ASN 101 -4.836 -3.784 9.799 775 HA ASN 101 HA ASN 101 -6.988 -5.648 9.656 776 1HB ASN 101 1HB ASN 101 -5.809 -3.908 11.819 777 2HB ASN 101 2HB ASN 101 -7.412 -4.506 12.064 778 1HD2 ASN 101 1HD2 ASN 101 -7.662 -7.067 11.437 779 2HD2 ASN 101 2HD2 ASN 101 -6.478 -7.969 12.305 780 H GLN 102 H GLN 102 -6.984 -2.118 10.221 781 HA GLN 102 HA GLN 102 -9.695 -1.789 10.594 782 1HB GLN 102 1HB GLN 102 -7.711 0.131 9.343 783 2HB GLN 102 2HB GLN 102 -9.329 0.568 9.871 784 1HG GLN 102 1HG GLN 102 -7.521 -0.826 11.869 785 2HG GLN 102 2HG GLN 102 -7.248 0.854 11.474 786 1HE2 GLN 102 1HE2 GLN 102 -9.127 -1.341 13.331 787 2HE2 GLN 102 2HE2 GLN 102 -10.379 -0.267 13.875 788 H TYR 103 H TYR 103 -7.913 -1.733 7.452 789 HA TYR 103 HA TYR 103 -10.195 -1.208 5.803 790 1HB TYR 103 1HB TYR 103 -8.109 -0.822 4.924 791 2HB TYR 103 2HB TYR 103 -7.462 -2.411 5.328 792 HD1 TYR 103 1HD TYR 103 -10.204 -0.830 3.265 793 HD2 TYR 103 2HD TYR 103 -7.427 -4.102 3.659 794 HE1 TYR 103 1HE TYR 103 -10.929 -1.703 1.072 795 HE2 TYR 103 2HE TYR 103 -8.160 -4.994 1.474 796 HH TYR 103 HH TYR 103 -10.329 -4.744 -0.113 797 H LEU 104 H LEU 104 -8.553 -4.272 6.729 798 HA LEU 104 HA LEU 104 -10.229 -5.955 5.166 799 1HB LEU 104 1HB LEU 104 -8.623 -6.456 7.719 800 2HB LEU 104 2HB LEU 104 -9.470 -7.731 6.861 801 HG LEU 104 HG LEU 104 -7.189 -6.082 5.682 802 1HD1 LEU 104 1HD1 LEU 104 -6.074 -8.451 5.865 803 2HD1 LEU 104 2HD1 LEU 104 -6.296 -7.518 7.367 804 3HD1 LEU 104 3HD1 LEU 104 -7.388 -8.827 6.938 805 1HD2 LEU 104 1HD2 LEU 104 -8.818 -8.379 4.553 806 2HD2 LEU 104 2HD2 LEU 104 -8.649 -6.726 3.905 807 3HD2 LEU 104 3HD2 LEU 104 -7.272 -7.828 3.877 808 H SER 105 H SER 105 -10.648 -4.470 8.298 809 HA SER 105 HA SER 105 -12.996 -6.100 8.991 810 1HB SER 105 1HB SER 105 -11.110 -5.141 10.541 811 2HB SER 105 2HB SER 105 -12.099 -3.672 10.544 812 HG SER 105 HG SER 105 -13.512 -4.692 11.781 813 H GLY 106 H GLY 106 -12.583 -3.558 6.821 814 1HA GLY 106 1HA GLY 106 -14.287 -2.627 5.587 815 2HA GLY 106 2HA GLY 106 -15.471 -3.226 6.736 816 H GLN 107 H GLN 107 -13.016 -1.462 8.380 817 HA GLN 107 HA GLN 107 -14.892 0.687 9.005 818 1HB GLN 107 1HB GLN 107 -11.912 0.527 9.649 819 2HB GLN 107 2HB GLN 107 -13.121 1.537 10.425 820 1HG GLN 107 1HG GLN 107 -13.035 -1.511 10.600 821 2HG GLN 107 2HG GLN 107 -12.350 -0.392 11.773 822 1HE2 GLN 107 1HE2 GLN 107 -13.671 -0.654 13.582 823 2HE2 GLN 107 2HE2 GLN 107 -15.399 -0.423 13.591 824 H LEU 108 H LEU 108 -11.877 0.309 7.240 825 HA LEU 108 HA LEU 108 -11.578 3.131 6.695 826 1HB LEU 108 1HB LEU 108 -9.984 0.823 6.804 827 2HB LEU 108 2HB LEU 108 -9.864 1.318 5.134 828 HG LEU 108 HG LEU 108 -8.993 3.501 5.856 829 1HD1 LEU 108 1HD1 LEU 108 -8.346 3.839 8.268 830 2HD1 LEU 108 2HD1 LEU 108 -10.085 3.854 8.031 831 3HD1 LEU 108 3HD1 LEU 108 -9.300 2.412 8.690 832 1HD2 LEU 108 1HD2 LEU 108 -6.851 2.640 6.741 833 2HD2 LEU 108 2HD2 LEU 108 -7.646 1.119 7.170 834 3HD2 LEU 108 3HD2 LEU 108 -7.495 1.595 5.468 835 H LYS 109 H LYS 109 -12.000 4.208 4.915 836 HA LYS 109 HA LYS 109 -12.809 2.848 2.424 837 1HB LYS 109 1HB LYS 109 -14.819 3.359 4.097 838 2HB LYS 109 2HB LYS 109 -14.587 5.029 3.599 839 1HG LYS 109 1HG LYS 109 -16.317 4.088 2.215 840 2HG LYS 109 2HG LYS 109 -14.894 4.264 1.195 841 1HD LYS 109 1HD LYS 109 -14.553 1.674 2.173 842 2HD LYS 109 2HD LYS 109 -16.288 1.807 2.170 843 1HE LYS 109 1HE LYS 109 -14.530 2.536 -0.226 844 2HE LYS 109 2HE LYS 109 -15.156 0.895 0.045 845 1HZ LYS 109 1HZ LYS 109 -16.857 3.286 -0.387 846 2HZ LYS 109 2HZ LYS 109 -16.514 2.137 -1.479 847 3HZ LYS 109 3HZ LYS 109 -17.363 1.745 -0.104 848 H ASP 110 H ASP 110 -12.863 4.231 0.525 849 HA ASP 110 HA ASP 110 -10.863 6.363 0.621 850 1HB ASP 110 1HB ASP 110 -10.765 5.939 -1.775 851 2HB ASP 110 2HB ASP 110 -10.626 4.406 -0.918 852 H SER 111 H SER 111 -13.833 6.611 1.322 853 HA SER 111 HA SER 111 -14.816 8.402 -0.782 854 1HB SER 111 1HB SER 111 -16.811 8.476 0.852 855 2HB SER 111 2HB SER 111 -16.469 7.009 -0.078 856 HG SER 111 HG SER 111 -16.929 6.621 2.137 857 H ASP 112 H ASP 112 -12.833 9.693 -0.236 858 HA ASP 112 HA ASP 112 -13.543 12.152 1.255 859 1HB ASP 112 1HB ASP 112 -12.530 10.727 2.994 860 2HB ASP 112 2HB ASP 112 -11.127 10.430 1.976 861 H TYR 113 H TYR 113 -13.620 12.548 -1.214 862 HA TYR 113 HA TYR 113 -11.236 13.897 -1.869 863 1HB TYR 113 1HB TYR 113 -10.976 11.226 -2.513 864 2HB TYR 113 2HB TYR 113 -11.691 11.822 -3.994 865 HD1 TYR 113 1HD TYR 113 -9.963 12.114 -5.618 866 HD2 TYR 113 2HD TYR 113 -9.138 13.196 -1.528 867 HE1 TYR 113 1HE TYR 113 -7.730 12.858 -6.276 868 HE2 TYR 113 2HE TYR 113 -6.884 13.841 -2.115 869 HH TYR 113 HH TYR 113 -5.820 13.981 -5.532 870 H GLU 114 H GLU 114 -11.287 14.576 -4.274 871 HA GLU 114 HA GLU 114 -12.212 15.981 -5.752 872 1HB GLU 114 1HB GLU 114 -14.339 13.809 -5.961 873 2HB GLU 114 2HB GLU 114 -13.822 14.952 -7.209 874 1HG GLU 114 1HG GLU 114 -11.424 13.936 -6.784 875 2HG GLU 114 2HG GLU 114 -12.311 12.586 -6.049 876 H VAL 115 H VAL 115 -13.027 16.432 -3.095 877 HA VAL 115 HA VAL 115 -15.724 17.579 -3.246 878 HB VAL 115 HB VAL 115 -15.265 15.825 -1.680 879 1HG1 VAL 115 1HG1 VAL 115 -12.904 16.065 -1.187 880 2HG1 VAL 115 2HG1 VAL 115 -13.190 17.632 -0.401 881 3HG1 VAL 115 3HG1 VAL 115 -13.832 16.138 0.309 882 1HG2 VAL 115 1HG2 VAL 115 -16.955 17.496 -1.132 883 2HG2 VAL 115 2HG2 VAL 115 -16.246 16.716 0.274 884 3HG2 VAL 115 3HG2 VAL 115 -15.765 18.375 -0.144 885 H HIS 116 H HIS 116 -14.002 18.950 -4.696 886 HA HIS 116 HA HIS 116 -13.440 21.063 -5.238 887 1HB HIS 116 1HB HIS 116 -15.503 21.538 -3.601 888 2HB HIS 116 2HB HIS 116 -14.261 22.314 -2.648 889 HD1 HIS 116 1HD HIS 116 -16.119 22.586 -5.933 890 HD2 HIS 116 2HD HIS 116 -13.165 24.584 -3.663 891 HE1 HIS 116 1HE HIS 116 -15.774 24.948 -7.023 892 HE2 HIS 116 2HE HIS 116 -13.965 26.118 -5.629 893 H ASP 117 H ASP 117 -11.241 20.676 -5.401 894 HA ASP 117 HA ASP 117 -9.529 21.562 -3.152 895 1HB ASP 117 1HB ASP 117 -10.116 19.046 -2.970 896 2HB ASP 117 2HB ASP 117 -9.101 18.832 -4.408 897 H HIS 118 H HIS 118 -7.048 21.014 -4.072 898 HA HIS 118 HA HIS 118 -6.777 21.097 -6.841 899 1HB HIS 118 1HB HIS 118 -5.494 23.242 -7.119 900 2HB HIS 118 2HB HIS 118 -7.236 23.341 -7.045 901 HD1 HIS 118 1HD HIS 118 -8.325 24.491 -4.791 902 HD2 HIS 118 2HD HIS 118 -4.123 24.717 -5.312 903 HE1 HIS 118 1HE HIS 118 -7.465 26.259 -3.150 904 HE2 HIS 118 2HE HIS 118 -4.927 26.424 -3.477 905 H HIS 119 H HIS 119 -5.064 21.787 -3.759 906 HA HIS 119 HA HIS 119 -2.929 21.427 -3.113 907 1HB HIS 119 1HB HIS 119 -3.689 18.710 -4.222 908 2HB HIS 119 2HB HIS 119 -2.265 18.987 -3.241 909 HD1 HIS 119 1HD HIS 119 -4.685 17.039 -2.283 910 HD2 HIS 119 2HD HIS 119 -4.130 21.118 -1.225 911 HE1 HIS 119 1HE HIS 119 -5.952 17.436 -0.118 912 HE2 HIS 119 2HE HIS 119 -5.626 19.891 0.518 913 H HIS 120 H HIS 120 -1.697 22.869 -4.489 914 HA HIS 120 HA HIS 120 -0.105 21.439 -6.570 915 1HB HIS 120 1HB HIS 120 0.038 23.232 -7.910 916 2HB HIS 120 2HB HIS 120 -1.589 23.375 -7.358 917 HD1 HIS 120 1HD HIS 120 1.853 25.093 -6.183 918 HD2 HIS 120 2HD HIS 120 -2.172 25.850 -7.282 919 HE1 HIS 120 1HE HIS 120 1.517 27.572 -6.027 920 HE2 HIS 120 2HE HIS 120 -0.882 28.059 -6.779 921 H HIS 121 H HIS 121 2.210 22.353 -6.756 922 HA HIS 121 HA HIS 121 3.085 24.121 -4.712 923 1HB HIS 121 1HB HIS 121 3.770 21.338 -4.183 924 2HB HIS 121 2HB HIS 121 5.205 22.335 -4.373 925 HD1 HIS 121 1HD HIS 121 5.769 24.141 -2.414 926 HD2 HIS 121 2HD HIS 121 2.175 21.911 -2.040 927 HE1 HIS 121 1HE HIS 121 4.872 24.590 -0.111 928 HE2 HIS 121 2HE HIS 121 2.687 23.278 0.144 929 H GLU 122 H GLU 122 5.295 21.885 -6.487 930 HA GLU 122 HA GLU 122 5.935 24.040 -8.442 931 1HB GLU 122 1HB GLU 122 7.297 24.090 -6.299 932 2HB GLU 122 2HB GLU 122 7.807 22.441 -6.641 933 1HG GLU 122 1HG GLU 122 8.720 23.373 -8.874 934 2HG GLU 122 2HG GLU 122 8.457 24.982 -8.168 935 H HIS 123 H HIS 123 6.698 23.127 -10.466 936 HA HIS 123 HA HIS 123 6.056 20.305 -10.853 937 1HB HIS 123 1HB HIS 123 6.008 20.635 -13.096 938 2HB HIS 123 2HB HIS 123 5.505 22.201 -12.521 939 HD1 HIS 123 1HD HIS 123 8.221 23.746 -12.169 940 HD2 HIS 123 2HD HIS 123 7.420 20.911 -15.229 941 HE1 HIS 123 1HE HIS 123 9.957 24.115 -14.051 942 HE2 HIS 123 2HE HIS 123 9.446 22.454 -15.880 943 H HIS 124 H HIS 124 7.946 19.416 -12.737 944 HA HIS 124 HA HIS 124 10.117 18.632 -10.937 945 1HB HIS 124 1HB HIS 124 9.166 17.061 -12.638 946 2HB HIS 124 2HB HIS 124 9.719 18.146 -13.909 947 HD1 HIS 124 1HD HIS 124 10.992 15.571 -14.483 948 HD2 HIS 124 2HD HIS 124 12.484 18.075 -11.395 949 HE1 HIS 124 1HE HIS 124 13.437 14.890 -14.053 950 HE2 HIS 124 2HE HIS 124 14.309 16.421 -12.148 Start of MODEL 18 1 1H MET 1 1H MET 1 -3.725 -10.004 -4.451 2 HA MET 1 HA MET 1 -3.744 -7.128 -4.897 3 1HB MET 1 1HB MET 1 -5.881 -7.883 -4.150 4 2HB MET 1 2HB MET 1 -5.200 -8.690 -2.742 5 1HG MET 1 1HG MET 1 -4.789 -6.636 -1.665 6 2HG MET 1 2HG MET 1 -4.775 -5.719 -3.173 7 1HE MET 1 1HE MET 1 -6.862 -4.668 -4.343 8 2HE MET 1 2HE MET 1 -7.242 -6.353 -4.781 9 3HE MET 1 3HE MET 1 -8.491 -5.291 -4.125 10 H ILE 2 H ILE 2 -2.564 -5.732 -3.777 11 HA ILE 2 HA ILE 2 -0.787 -6.581 -1.631 12 HB ILE 2 HB ILE 2 0.231 -4.957 -3.952 13 1HG1 ILE 2 1HG1 ILE 2 0.233 -7.989 -3.795 14 2HG1 ILE 2 2HG1 ILE 2 -0.385 -6.979 -5.105 15 1HG2 ILE 2 1HG2 ILE 2 2.381 -5.424 -3.137 16 2HG2 ILE 2 2HG2 ILE 2 1.409 -4.978 -1.747 17 3HG2 ILE 2 3HG2 ILE 2 1.791 -6.672 -2.026 18 1HD1 ILE 2 1HD1 ILE 2 1.614 -7.918 -5.886 19 2HD1 ILE 2 2HD1 ILE 2 1.952 -6.230 -5.536 20 3HD1 ILE 2 3HD1 ILE 2 2.522 -7.494 -4.410 21 H ILE 3 H ILE 3 -0.462 -4.692 -0.330 22 HA ILE 3 HA ILE 3 -2.372 -2.456 -0.701 23 HB ILE 3 HB ILE 3 -1.665 -4.237 1.657 24 1HG1 ILE 3 1HG1 ILE 3 -4.481 -3.676 0.696 25 2HG1 ILE 3 2HG1 ILE 3 -3.493 -4.809 -0.209 26 1HG2 ILE 3 1HG2 ILE 3 -3.140 -1.591 1.580 27 2HG2 ILE 3 2HG2 ILE 3 -3.421 -2.778 2.873 28 3HG2 ILE 3 3HG2 ILE 3 -1.819 -2.083 2.632 29 1HD1 ILE 3 1HD1 ILE 3 -4.149 -5.025 2.759 30 2HD1 ILE 3 2HD1 ILE 3 -4.851 -5.991 1.448 31 3HD1 ILE 3 3HD1 ILE 3 -3.125 -6.154 1.847 32 H ALA 4 H ALA 4 -1.072 -0.782 -1.127 33 HA ALA 4 HA ALA 4 1.667 -0.593 0.009 34 1HB ALA 4 1HB ALA 4 2.026 0.614 -1.810 35 2HB ALA 4 2HB ALA 4 0.279 0.750 -2.176 36 3HB ALA 4 3HB ALA 4 1.088 1.924 -1.119 37 H ILE 5 H ILE 5 2.390 0.716 1.596 38 HA ILE 5 HA ILE 5 0.532 2.626 2.885 39 HB ILE 5 HB ILE 5 2.199 0.618 4.432 40 1HG1 ILE 5 1HG1 ILE 5 -0.795 0.331 3.902 41 2HG1 ILE 5 2HG1 ILE 5 0.447 -0.644 3.108 42 1HG2 ILE 5 1HG2 ILE 5 -0.193 2.332 5.172 43 2HG2 ILE 5 2HG2 ILE 5 0.792 1.384 6.301 44 3HG2 ILE 5 3HG2 ILE 5 1.494 2.786 5.498 45 1HD1 ILE 5 1HD1 ILE 5 1.268 -1.443 5.267 46 2HD1 ILE 5 2HD1 ILE 5 -0.138 -0.673 6.063 47 3HD1 ILE 5 3HD1 ILE 5 -0.367 -1.956 4.857 48 HA PRO 6 HA PRO 6 4.708 4.580 2.603 49 1HB PRO 6 1HB PRO 6 3.910 7.169 2.675 50 2HB PRO 6 2HB PRO 6 3.838 6.191 1.178 51 1HG PRO 6 1HG PRO 6 1.648 6.941 3.062 52 2HG PRO 6 2HG PRO 6 1.586 6.831 1.293 53 1HD PRO 6 1HD PRO 6 0.707 4.860 3.130 54 2HD PRO 6 2HD PRO 6 1.099 4.526 1.422 55 H VAL 7 H VAL 7 5.746 4.452 4.506 56 HA VAL 7 HA VAL 7 4.407 5.239 7.028 57 HB VAL 7 HB VAL 7 6.191 3.590 7.933 58 1HG1 VAL 7 1HG1 VAL 7 3.984 2.932 8.238 59 2HG1 VAL 7 2HG1 VAL 7 3.649 2.825 6.479 60 3HG1 VAL 7 3HG1 VAL 7 4.665 1.630 7.290 61 1HG2 VAL 7 1HG2 VAL 7 7.443 3.271 5.845 62 2HG2 VAL 7 2HG2 VAL 7 6.775 1.754 6.462 63 3HG2 VAL 7 3HG2 VAL 7 6.019 2.520 5.069 64 H SER 8 H SER 8 5.886 6.073 8.749 65 HA SER 8 HA SER 8 7.692 8.052 7.573 66 1HB SER 8 1HB SER 8 7.746 8.886 9.944 67 2HB SER 8 2HB SER 8 6.143 8.804 9.217 68 HG SER 8 HG SER 8 7.214 7.169 11.203 69 H GLU 9 H GLU 9 8.103 4.799 8.760 70 HA GLU 9 HA GLU 9 10.990 5.190 9.079 71 1HB GLU 9 1HB GLU 9 9.169 3.999 11.221 72 2HB GLU 9 2HB GLU 9 10.922 3.965 11.250 73 1HG GLU 9 1HG GLU 9 10.920 6.476 11.298 74 2HG GLU 9 2HG GLU 9 9.144 6.421 11.459 75 H ASN 10 H ASN 10 11.909 2.919 9.468 76 HA ASN 10 HA ASN 10 10.304 0.842 8.066 77 1HB ASN 10 1HB ASN 10 12.583 1.378 7.066 78 2HB ASN 10 2HB ASN 10 13.274 0.569 8.484 79 1HD2 ASN 10 1HD2 ASN 10 12.982 -0.168 5.454 80 2HD2 ASN 10 2HD2 ASN 10 12.219 -1.717 5.401 81 H ARG 11 H ARG 11 9.078 -0.049 9.590 82 HA ARG 11 HA ARG 11 10.668 -1.434 11.643 83 1HB ARG 11 1HB ARG 11 8.049 -0.130 12.355 84 2HB ARG 11 2HB ARG 11 9.160 -0.918 13.429 85 1HG ARG 11 1HG ARG 11 10.733 1.046 12.999 86 2HG ARG 11 2HG ARG 11 9.401 1.817 12.135 87 1HD ARG 11 1HD ARG 11 8.002 1.789 14.136 88 2HD ARG 11 2HD ARG 11 9.163 0.771 14.981 89 HE ARG 11 HE ARG 11 9.558 3.650 14.232 90 1HH1 ARG 11 2HH2 ARG 11 9.943 1.215 16.712 91 2HH1 ARG 11 1HH2 ARG 11 11.323 1.965 17.441 92 1HH2 ARG 11 2HH1 ARG 11 11.447 4.597 15.073 93 2HH2 ARG 11 1HH1 ARG 11 12.194 3.922 16.505 94 H GLY 12 H GLY 12 9.545 -2.405 9.120 95 1HA GLY 12 1HA GLY 12 8.056 -3.956 8.230 96 2HA GLY 12 2HA GLY 12 8.332 -4.850 9.727 97 H LYS 13 H LYS 13 6.310 -5.493 10.502 98 HA LYS 13 HA LYS 13 3.895 -4.320 10.126 99 1HB LYS 13 1HB LYS 13 3.043 -5.372 12.099 100 2HB LYS 13 2HB LYS 13 3.898 -6.450 11.021 101 1HG LYS 13 1HG LYS 13 5.284 -5.253 13.453 102 2HG LYS 13 2HG LYS 13 4.137 -6.551 13.622 103 1HD LYS 13 1HD LYS 13 5.855 -7.819 13.443 104 2HD LYS 13 2HD LYS 13 5.643 -7.737 11.735 105 1HE LYS 13 1HE LYS 13 7.586 -6.438 11.444 106 2HE LYS 13 2HE LYS 13 7.356 -5.613 13.006 107 1HZ LYS 13 1HZ LYS 13 8.068 -7.556 14.119 108 2HZ LYS 13 2HZ LYS 13 8.405 -8.361 12.691 109 3HZ LYS 13 3HZ LYS 13 9.221 -6.983 13.162 110 H ASP 14 H ASP 14 6.277 -3.278 12.555 111 HA ASP 14 HA ASP 14 4.397 -1.659 14.020 112 1HB ASP 14 1HB ASP 14 7.134 -0.885 14.574 113 2HB ASP 14 2HB ASP 14 5.918 -1.549 15.619 114 H SER 15 H SER 15 5.795 -1.157 11.004 115 HA SER 15 HA SER 15 6.889 1.432 10.933 116 1HB SER 15 1HB SER 15 5.248 0.170 8.829 117 2HB SER 15 2HB SER 15 6.393 1.531 8.694 118 HG SER 15 HG SER 15 6.829 -1.182 9.125 119 HA PRO 16 HA PRO 16 3.138 3.729 12.188 120 1HB PRO 16 1HB PRO 16 4.478 6.187 12.404 121 2HB PRO 16 2HB PRO 16 4.213 5.025 13.712 122 1HG PRO 16 1HG PRO 16 6.737 5.632 12.337 123 2HG PRO 16 2HG PRO 16 6.465 4.760 13.857 124 1HD PRO 16 1HD PRO 16 7.030 3.680 11.239 125 2HD PRO 16 2HD PRO 16 6.768 2.798 12.767 126 H ILE 17 H ILE 17 1.738 4.676 10.685 127 HA ILE 17 HA ILE 17 2.606 4.924 8.014 128 HB ILE 17 HB ILE 17 0.292 4.358 8.976 129 1HG1 ILE 17 1HG1 ILE 17 0.017 6.341 6.740 130 2HG1 ILE 17 2HG1 ILE 17 1.059 4.932 6.503 131 1HG2 ILE 17 1HG2 ILE 17 -0.127 7.359 8.945 132 2HG2 ILE 17 2HG2 ILE 17 -1.306 6.063 9.245 133 3HG2 ILE 17 3HG2 ILE 17 0.012 6.351 10.403 134 1HD1 ILE 17 1HD1 ILE 17 -0.751 3.413 7.125 135 2HD1 ILE 17 2HD1 ILE 17 -1.839 4.779 7.367 136 3HD1 ILE 17 3HD1 ILE 17 -1.182 4.426 5.735 137 H SER 18 H SER 18 2.956 6.765 6.676 138 HA SER 18 HA SER 18 3.860 9.220 8.046 139 1HB SER 18 1HB SER 18 5.121 8.088 6.082 140 2HB SER 18 2HB SER 18 3.761 8.618 5.063 141 HG SER 18 HG SER 18 5.432 10.334 6.637 142 H GLU 19 H GLU 19 3.222 11.071 6.262 143 HA GLU 19 HA GLU 19 0.221 11.255 6.286 144 1HB GLU 19 1HB GLU 19 2.142 13.464 5.546 145 2HB GLU 19 2HB GLU 19 0.448 13.600 5.901 146 1HG GLU 19 1HG GLU 19 0.937 13.404 8.306 147 2HG GLU 19 2HG GLU 19 2.626 12.973 7.955 148 H HIS 20 H HIS 20 3.225 11.577 4.389 149 HA HIS 20 HA HIS 20 1.722 12.345 1.955 150 1HB HIS 20 1HB HIS 20 4.723 12.464 2.540 151 2HB HIS 20 2HB HIS 20 3.883 13.295 1.246 152 HD1 HIS 20 1HD HIS 20 2.187 15.460 2.201 153 HD2 HIS 20 2HD HIS 20 4.987 13.689 4.862 154 HE1 HIS 20 1HE HIS 20 2.337 16.965 4.278 155 HE2 HIS 20 2HE HIS 20 3.923 15.823 5.903 156 H PHE 21 H PHE 21 2.654 11.678 -0.101 157 HA PHE 21 HA PHE 21 3.428 8.768 -0.040 158 1HB PHE 21 1HB PHE 21 1.102 9.105 -0.697 159 2HB PHE 21 2HB PHE 21 1.626 10.255 -1.944 160 HD1 PHE 21 1HD PHE 21 2.742 9.484 -4.016 161 HD2 PHE 21 2HD PHE 21 1.457 6.689 -0.968 162 HE1 PHE 21 1HE PHE 21 2.988 7.578 -5.625 163 HE2 PHE 21 2HE PHE 21 1.819 4.819 -2.548 164 HZ PHE 21 HZ PHE 21 2.571 5.286 -4.870 165 H GLY 22 H GLY 22 3.519 11.783 -2.000 166 1HA GLY 22 1HA GLY 22 5.398 10.708 -3.896 167 2HA GLY 22 2HA GLY 22 4.825 12.379 -3.785 168 H ARG 23 H ARG 23 6.318 10.941 -1.031 169 HA ARG 23 HA ARG 23 8.993 11.449 -1.244 170 1HB ARG 23 1HB ARG 23 9.215 13.593 0.169 171 2HB ARG 23 2HB ARG 23 8.756 13.770 -1.500 172 1HG ARG 23 1HG ARG 23 7.310 15.267 -0.633 173 2HG ARG 23 2HG ARG 23 6.264 13.888 -0.576 174 1HD ARG 23 1HD ARG 23 5.909 14.748 1.517 175 2HD ARG 23 2HD ARG 23 7.182 13.611 1.907 176 HE ARG 23 HE ARG 23 8.676 15.342 2.254 177 1HH1 ARG 23 2HH2 ARG 23 5.625 16.612 0.968 178 2HH1 ARG 23 1HH2 ARG 23 5.976 18.268 1.282 179 1HH2 ARG 23 2HH1 ARG 23 9.226 17.524 2.644 180 2HH2 ARG 23 1HH1 ARG 23 8.136 18.812 2.341 181 H ALA 24 H ALA 24 7.438 9.457 -0.283 182 HA ALA 24 HA ALA 24 7.248 9.569 2.693 183 1HB ALA 24 1HB ALA 24 6.509 7.224 2.424 184 2HB ALA 24 2HB ALA 24 5.508 8.339 1.460 185 3HB ALA 24 3HB ALA 24 6.737 7.335 0.669 186 HA PRO 25 HA PRO 25 11.510 8.021 2.545 187 1HB PRO 25 1HB PRO 25 11.846 6.895 5.011 188 2HB PRO 25 2HB PRO 25 11.679 8.648 4.741 189 1HG PRO 25 1HG PRO 25 9.510 6.718 5.530 190 2HG PRO 25 2HG PRO 25 9.913 8.285 6.286 191 1HD PRO 25 1HD PRO 25 7.907 8.091 4.450 192 2HD PRO 25 2HD PRO 25 9.009 9.497 4.466 193 H TYR 26 H TYR 26 8.893 5.693 3.052 194 HA TYR 26 HA TYR 26 10.438 3.529 1.779 195 1HB TYR 26 1HB TYR 26 8.952 3.254 4.383 196 2HB TYR 26 2HB TYR 26 9.666 1.931 3.497 197 HD1 TYR 26 1HD TYR 26 12.093 1.475 3.650 198 HD2 TYR 26 2HD TYR 26 10.278 4.742 5.770 199 HE1 TYR 26 1HE TYR 26 14.271 1.967 4.742 200 HE2 TYR 26 2HE TYR 26 12.423 5.203 6.929 201 HH TYR 26 HH TYR 26 14.649 4.668 7.086 202 H PHE 27 H PHE 27 8.773 1.645 1.271 203 HA PHE 27 HA PHE 27 5.946 2.470 1.412 204 1HB PHE 27 1HB PHE 27 7.234 1.324 -1.099 205 2HB PHE 27 2HB PHE 27 5.545 1.204 -0.766 206 HD1 PHE 27 1HD PHE 27 7.516 2.854 -2.870 207 HD2 PHE 27 2HD PHE 27 4.670 3.807 0.218 208 HE1 PHE 27 1HE PHE 27 6.942 4.933 -4.058 209 HE2 PHE 27 2HE PHE 27 4.144 5.911 -0.947 210 HZ PHE 27 HZ PHE 27 5.223 6.489 -3.093 211 H ALA 28 H ALA 28 5.230 1.001 2.877 212 HA ALA 28 HA ALA 28 6.194 -1.784 2.782 213 1HB ALA 28 1HB ALA 28 5.769 -0.873 5.009 214 2HB ALA 28 2HB ALA 28 4.159 -0.351 4.523 215 3HB ALA 28 3HB ALA 28 4.513 -2.085 4.616 216 H PHE 29 H PHE 29 5.472 -2.758 0.871 217 HA PHE 29 HA PHE 29 2.589 -2.568 0.233 218 1HB PHE 29 1HB PHE 29 5.058 -3.290 -1.236 219 2HB PHE 29 2HB PHE 29 3.721 -4.358 -1.513 220 HD1 PHE 29 1HD PHE 29 5.281 -1.784 -3.058 221 HD2 PHE 29 2HD PHE 29 1.284 -2.803 -1.795 222 HE1 PHE 29 1HE PHE 29 4.276 -0.446 -4.913 223 HE2 PHE 29 2HE PHE 29 0.345 -1.238 -3.385 224 HZ PHE 29 HZ PHE 29 1.782 -0.086 -5.016 225 H VAL 30 H VAL 30 1.533 -3.784 1.708 226 HA VAL 30 HA VAL 30 2.631 -6.390 2.621 227 HB VAL 30 HB VAL 30 -0.076 -5.141 3.296 228 1HG1 VAL 30 1HG1 VAL 30 0.286 -6.432 5.443 229 2HG1 VAL 30 2HG1 VAL 30 0.171 -7.460 4.023 230 3HG1 VAL 30 3HG1 VAL 30 1.759 -7.121 4.733 231 1HG2 VAL 30 1HG2 VAL 30 1.447 -3.389 3.895 232 2HG2 VAL 30 2HG2 VAL 30 1.038 -4.233 5.381 233 3HG2 VAL 30 3HG2 VAL 30 2.612 -4.525 4.602 234 H LYS 31 H LYS 31 1.257 -8.348 2.257 235 HA LYS 31 HA LYS 31 -0.287 -8.126 -0.304 236 1HB LYS 31 1HB LYS 31 1.077 -10.515 0.987 237 2HB LYS 31 2HB LYS 31 0.033 -10.593 -0.442 238 1HG LYS 31 1HG LYS 31 1.818 -8.624 -1.174 239 2HG LYS 31 2HG LYS 31 2.791 -9.601 -0.125 240 1HD LYS 31 1HD LYS 31 3.177 -10.498 -2.264 241 2HD LYS 31 2HD LYS 31 2.072 -11.649 -1.464 242 1HE LYS 31 1HE LYS 31 0.165 -10.324 -2.613 243 2HE LYS 31 2HE LYS 31 1.440 -9.483 -3.514 244 1HZ LYS 31 1HZ LYS 31 2.061 -11.580 -4.508 245 2HZ LYS 31 2HZ LYS 31 0.953 -12.396 -3.606 246 3HZ LYS 31 3HZ LYS 31 0.451 -11.309 -4.713 247 H VAL 32 H VAL 32 -1.830 -10.399 -0.012 248 HA VAL 32 HA VAL 32 -2.885 -10.599 2.609 249 HB VAL 32 HB VAL 32 -4.267 -8.710 1.835 250 1HG1 VAL 32 1HG1 VAL 32 -5.800 -8.899 -0.076 251 2HG1 VAL 32 2HG1 VAL 32 -4.122 -9.003 -0.589 252 3HG1 VAL 32 3HG1 VAL 32 -5.123 -10.476 -0.498 253 1HG2 VAL 32 1HG2 VAL 32 -6.497 -9.622 2.170 254 2HG2 VAL 32 2HG2 VAL 32 -5.918 -11.270 1.863 255 3HG2 VAL 32 3HG2 VAL 32 -5.345 -10.365 3.287 256 H LYS 33 H LYS 33 -3.700 -12.642 2.882 257 HA LYS 33 HA LYS 33 -4.586 -14.148 0.508 258 1HB LYS 33 1HB LYS 33 -2.252 -14.932 0.889 259 2HB LYS 33 2HB LYS 33 -2.652 -15.273 2.573 260 1HG LYS 33 1HG LYS 33 -2.604 -17.320 1.391 261 2HG LYS 33 2HG LYS 33 -4.311 -17.023 1.702 262 1HD LYS 33 1HD LYS 33 -3.129 -16.059 -0.908 263 2HD LYS 33 2HD LYS 33 -3.297 -17.787 -0.708 264 1HE LYS 33 1HE LYS 33 -5.728 -16.301 0.090 265 2HE LYS 33 2HE LYS 33 -5.291 -16.050 -1.608 266 1HZ LYS 33 1HZ LYS 33 -6.763 -18.030 -0.975 267 2HZ LYS 33 2HZ LYS 33 -5.505 -18.322 -2.033 268 3HZ LYS 33 3HZ LYS 33 -5.396 -18.749 -0.466 269 H ASN 34 H ASN 34 -6.675 -14.624 1.036 270 HA ASN 34 HA ASN 34 -8.461 -15.316 2.219 271 1HB ASN 34 1HB ASN 34 -6.196 -16.865 3.417 272 2HB ASN 34 2HB ASN 34 -7.699 -16.887 4.300 273 1HD2 ASN 34 1HD2 ASN 34 -8.882 -18.615 3.799 274 2HD2 ASN 34 2HD2 ASN 34 -9.322 -19.028 2.152 275 H ASN 35 H ASN 35 -7.135 -12.743 3.127 276 HA ASN 35 HA ASN 35 -7.936 -11.012 4.363 277 1HB ASN 35 1HB ASN 35 -10.005 -12.565 5.021 278 2HB ASN 35 2HB ASN 35 -9.114 -12.642 6.564 279 1HD2 ASN 35 1HD2 ASN 35 -9.470 -10.849 7.972 280 2HD2 ASN 35 2HD2 ASN 35 -10.246 -9.376 7.454 281 H ALA 36 H ALA 36 -5.568 -13.107 4.926 282 HA ALA 36 HA ALA 36 -4.748 -11.777 7.421 283 1HB ALA 36 1HB ALA 36 -3.863 -14.472 6.279 284 2HB ALA 36 2HB ALA 36 -3.218 -13.711 7.751 285 3HB ALA 36 3HB ALA 36 -4.910 -14.233 7.696 286 H ILE 37 H ILE 37 -2.141 -11.668 7.281 287 HA ILE 37 HA ILE 37 -1.795 -9.584 5.416 288 HB ILE 37 HB ILE 37 -0.311 -10.932 7.662 289 1HG1 ILE 37 1HG1 ILE 37 -0.062 -8.608 8.466 290 2HG1 ILE 37 2HG1 ILE 37 -0.797 -8.001 6.987 291 1HG2 ILE 37 1HG2 ILE 37 1.243 -9.153 5.768 292 2HG2 ILE 37 2HG2 ILE 37 1.743 -9.619 7.403 293 3HG2 ILE 37 3HG2 ILE 37 1.571 -10.854 6.164 294 1HD1 ILE 37 1HD1 ILE 37 -2.945 -9.037 7.599 295 2HD1 ILE 37 2HD1 ILE 37 -2.186 -9.817 9.012 296 3HD1 ILE 37 3HD1 ILE 37 -2.347 -8.051 8.941 297 H ALA 38 H ALA 38 -1.148 -12.927 5.038 298 HA ALA 38 HA ALA 38 0.191 -14.200 3.808 299 1HB ALA 38 1HB ALA 38 -0.249 -11.983 1.825 300 2HB ALA 38 2HB ALA 38 0.687 -13.457 1.437 301 3HB ALA 38 3HB ALA 38 -1.019 -13.545 1.929 302 H ASP 39 H ASP 39 1.524 -10.934 3.133 303 HA ASP 39 HA ASP 39 4.171 -11.750 4.128 304 1HB ASP 39 1HB ASP 39 3.731 -12.855 1.768 305 2HB ASP 39 2HB ASP 39 4.040 -11.220 1.154 306 H ILE 40 H ILE 40 5.848 -10.035 3.857 307 HA ILE 40 HA ILE 40 4.651 -7.299 3.722 308 HB ILE 40 HB ILE 40 6.465 -8.626 5.744 309 1HG1 ILE 40 1HG1 ILE 40 3.814 -8.572 5.882 310 2HG1 ILE 40 2HG1 ILE 40 4.828 -8.421 7.282 311 1HG2 ILE 40 1HG2 ILE 40 6.067 -5.628 5.404 312 2HG2 ILE 40 2HG2 ILE 40 6.777 -6.399 6.838 313 3HG2 ILE 40 3HG2 ILE 40 7.582 -6.549 5.296 314 1HD1 ILE 40 1HD1 ILE 40 2.895 -6.827 7.304 315 2HD1 ILE 40 2HD1 ILE 40 4.442 -5.983 7.383 316 3HD1 ILE 40 3HD1 ILE 40 3.562 -6.058 5.849 317 H SER 41 H SER 41 5.674 -6.023 2.295 318 HA SER 41 HA SER 41 8.513 -6.515 1.560 319 1HB SER 41 1HB SER 41 6.622 -6.843 -0.229 320 2HB SER 41 2HB SER 41 6.401 -5.109 -0.131 321 HG SER 41 HG SER 41 7.863 -5.132 -1.599 322 H VAL 42 H VAL 42 9.436 -5.035 3.085 323 HA VAL 42 HA VAL 42 8.195 -2.333 3.238 324 HB VAL 42 HB VAL 42 8.029 -3.592 5.269 325 1HG1 VAL 42 1HG1 VAL 42 11.055 -3.611 5.484 326 2HG1 VAL 42 2HG1 VAL 42 9.901 -4.135 6.710 327 3HG1 VAL 42 3HG1 VAL 42 10.033 -5.030 5.194 328 1HG2 VAL 42 1HG2 VAL 42 8.925 -1.825 6.747 329 2HG2 VAL 42 2HG2 VAL 42 9.877 -1.197 5.369 330 3HG2 VAL 42 3HG2 VAL 42 8.116 -1.183 5.299 331 H GLU 43 H GLU 43 9.226 -2.249 1.113 332 HA GLU 43 HA GLU 43 12.138 -2.142 0.974 333 1HB GLU 43 1HB GLU 43 10.151 -1.203 -1.114 334 2HB GLU 43 2HB GLU 43 11.785 -1.783 -1.390 335 1HG GLU 43 1HG GLU 43 9.842 -3.787 -0.230 336 2HG GLU 43 2HG GLU 43 9.481 -3.173 -1.829 337 H GLU 44 H GLU 44 13.373 -0.135 0.599 338 HA GLU 44 HA GLU 44 12.248 2.213 1.757 339 1HB GLU 44 1HB GLU 44 14.609 2.306 -0.142 340 2HB GLU 44 2HB GLU 44 14.243 3.328 1.233 341 1HG GLU 44 1HG GLU 44 15.899 2.128 2.192 342 2HG GLU 44 2HG GLU 44 14.581 1.023 2.589 343 H ASN 45 H ASN 45 12.168 4.344 0.586 344 HA ASN 45 HA ASN 45 10.645 4.034 -1.932 345 1HB ASN 45 1HB ASN 45 10.458 5.842 0.194 346 2HB ASN 45 2HB ASN 45 11.194 6.789 -1.082 347 1HD2 ASN 45 1HD2 ASN 45 8.253 5.350 0.078 348 2HD2 ASN 45 2HD2 ASN 45 7.310 5.608 -1.349 349 HA PRO 46 HA PRO 46 14.809 4.459 -3.658 350 1HB PRO 46 1HB PRO 46 14.246 4.283 -6.327 351 2HB PRO 46 2HB PRO 46 14.169 2.880 -5.218 352 1HG PRO 46 1HG PRO 46 11.881 4.628 -6.150 353 2HG PRO 46 2HG PRO 46 11.968 2.840 -6.145 354 1HD PRO 46 1HD PRO 46 10.753 4.231 -4.143 355 2HD PRO 46 2HD PRO 46 11.691 2.752 -3.783 356 H LEU 47 H LEU 47 12.307 6.655 -3.828 357 HA LEU 47 HA LEU 47 13.954 8.848 -4.964 358 1HB LEU 47 1HB LEU 47 11.185 8.076 -5.634 359 2HB LEU 47 2HB LEU 47 11.763 9.709 -5.943 360 HG LEU 47 HG LEU 47 13.481 7.489 -7.012 361 1HD1 LEU 47 1HD1 LEU 47 12.148 7.209 -8.952 362 2HD1 LEU 47 2HD1 LEU 47 11.257 6.747 -7.489 363 3HD1 LEU 47 3HD1 LEU 47 10.923 8.327 -8.275 364 1HD2 LEU 47 1HD2 LEU 47 12.551 10.204 -8.082 365 2HD2 LEU 47 2HD2 LEU 47 14.133 9.856 -7.324 366 3HD2 LEU 47 3HD2 LEU 47 13.712 9.115 -8.871 367 H ALA 48 H ALA 48 13.536 8.047 -2.125 368 HA ALA 48 HA ALA 48 11.221 9.160 -0.982 369 1HB ALA 48 1HB ALA 48 12.685 7.652 0.314 370 2HB ALA 48 2HB ALA 48 14.042 8.770 0.160 371 3HB ALA 48 3HB ALA 48 12.644 9.217 1.144 372 H GLN 49 H GLN 49 14.273 10.717 -1.805 373 HA GLN 49 HA GLN 49 13.010 13.316 -1.702 374 1HB GLN 49 1HB GLN 49 13.970 12.688 0.753 375 2HB GLN 49 2HB GLN 49 15.475 13.263 0.036 376 1HG GLN 49 1HG GLN 49 13.939 15.300 -0.759 377 2HG GLN 49 2HG GLN 49 12.860 14.736 0.507 378 1HE2 GLN 49 1HE2 GLN 49 13.885 14.656 2.846 379 2HE2 GLN 49 2HE2 GLN 49 15.171 15.799 3.155 380 H ASP 50 H ASP 50 14.379 11.608 -3.712 381 HA ASP 50 HA ASP 50 17.170 12.583 -3.713 382 1HB ASP 50 1HB ASP 50 16.704 10.139 -3.830 383 2HB ASP 50 2HB ASP 50 15.968 10.372 -5.420 384 H HIS 51 H HIS 51 14.734 11.982 -6.273 385 HA HIS 51 HA HIS 51 15.843 14.286 -7.805 386 1HB HIS 51 1HB HIS 51 15.900 11.828 -8.636 387 2HB HIS 51 2HB HIS 51 14.199 12.068 -9.013 388 HD1 HIS 51 1HD HIS 51 17.673 13.678 -9.859 389 HD2 HIS 51 2HD HIS 51 13.791 13.022 -11.453 390 HE1 HIS 51 1HE HIS 51 17.711 14.497 -12.274 391 HE2 HIS 51 2HE HIS 51 15.366 14.123 -13.251 392 H VAL 52 H VAL 52 13.305 13.633 -5.878 393 HA VAL 52 HA VAL 52 11.175 14.342 -5.617 394 HB VAL 52 HB VAL 52 11.405 16.735 -4.806 395 1HG1 VAL 52 1HG1 VAL 52 13.480 14.717 -3.936 396 2HG1 VAL 52 2HG1 VAL 52 12.856 16.062 -2.973 397 3HG1 VAL 52 3HG1 VAL 52 11.768 14.745 -3.413 398 1HG2 VAL 52 1HG2 VAL 52 13.616 17.740 -4.735 399 2HG2 VAL 52 2HG2 VAL 52 14.336 16.363 -5.577 400 3HG2 VAL 52 3HG2 VAL 52 13.215 17.445 -6.426 401 H HIS 53 H HIS 53 10.559 13.885 -7.987 402 HA HIS 53 HA HIS 53 9.269 16.332 -9.112 403 1HB HIS 53 1HB HIS 53 11.465 14.799 -10.374 404 2HB HIS 53 2HB HIS 53 10.023 14.810 -11.364 405 HD1 HIS 53 1HD HIS 53 10.412 16.533 -13.132 406 HD2 HIS 53 2HD HIS 53 11.674 17.731 -9.286 407 HE1 HIS 53 1HE HIS 53 11.151 19.049 -13.293 408 HE2 HIS 53 2HE HIS 53 11.921 19.705 -10.922 409 H GLY 54 H GLY 54 9.625 12.823 -9.701 410 1HA GLY 54 1HA GLY 54 6.811 12.215 -9.663 411 2HA GLY 54 2HA GLY 54 7.510 12.331 -11.308 412 H ALA 55 H ALA 55 7.381 10.035 -11.556 413 HA ALA 55 HA ALA 55 8.249 8.014 -11.813 414 1HB ALA 55 1HB ALA 55 10.636 7.668 -11.608 415 2HB ALA 55 2HB ALA 55 10.260 9.228 -12.382 416 3HB ALA 55 3HB ALA 55 10.791 9.173 -10.674 417 H VAL 56 H VAL 56 8.518 9.148 -8.502 418 HA VAL 56 HA VAL 56 8.805 6.865 -7.006 419 HB VAL 56 HB VAL 56 7.045 9.286 -6.871 420 1HG1 VAL 56 1HG1 VAL 56 5.417 7.784 -6.001 421 2HG1 VAL 56 2HG1 VAL 56 6.626 7.051 -4.924 422 3HG1 VAL 56 3HG1 VAL 56 6.102 8.720 -4.668 423 1HG2 VAL 56 1HG2 VAL 56 9.373 9.439 -6.139 424 2HG2 VAL 56 2HG2 VAL 56 8.256 9.796 -4.822 425 3HG2 VAL 56 3HG2 VAL 56 9.058 8.225 -4.868 426 HA PRO 57 HA PRO 57 4.385 5.350 -8.061 427 1HB PRO 57 1HB PRO 57 3.134 6.169 -10.344 428 2HB PRO 57 2HB PRO 57 2.878 7.013 -8.780 429 1HG PRO 57 1HG PRO 57 4.623 7.752 -11.110 430 2HG PRO 57 2HG PRO 57 3.643 8.831 -10.078 431 1HD PRO 57 1HD PRO 57 6.315 8.446 -9.851 432 2HD PRO 57 2HD PRO 57 5.374 8.896 -8.442 433 H ASN 58 H ASN 58 6.829 6.011 -10.573 434 HA ASN 58 HA ASN 58 5.832 3.900 -12.341 435 1HB ASN 58 1HB ASN 58 7.150 5.970 -13.144 436 2HB ASN 58 2HB ASN 58 8.589 5.105 -12.557 437 1HD2 ASN 58 1HD2 ASN 58 9.451 3.481 -14.007 438 2HD2 ASN 58 2HD2 ASN 58 8.569 2.817 -15.312 439 H PHE 59 H PHE 59 8.145 4.250 -9.711 440 HA PHE 59 HA PHE 59 9.126 1.537 -9.814 441 1HB PHE 59 1HB PHE 59 10.307 3.014 -8.382 442 2HB PHE 59 2HB PHE 59 8.841 3.630 -7.643 443 HD1 PHE 59 1HD PHE 59 10.348 0.201 -8.167 444 HD2 PHE 59 2HD PHE 59 8.522 2.991 -5.424 445 HE1 PHE 59 1HE PHE 59 10.707 -1.390 -6.324 446 HE2 PHE 59 2HE PHE 59 8.854 1.317 -3.567 447 HZ PHE 59 HZ PHE 59 9.907 -0.852 -4.035 448 H VAL 60 H VAL 60 6.567 2.878 -7.580 449 HA VAL 60 HA VAL 60 5.855 0.265 -6.871 450 HB VAL 60 HB VAL 60 3.705 1.388 -5.988 451 1HG1 VAL 60 1HG1 VAL 60 5.911 0.932 -4.678 452 2HG1 VAL 60 2HG1 VAL 60 6.358 2.583 -5.073 453 3HG1 VAL 60 3HG1 VAL 60 4.929 2.281 -4.081 454 1HG2 VAL 60 1HG2 VAL 60 3.624 3.708 -5.798 455 2HG2 VAL 60 2HG2 VAL 60 5.207 3.919 -6.547 456 3HG2 VAL 60 3HG2 VAL 60 3.811 3.338 -7.521 457 H LYS 61 H LYS 61 4.626 1.962 -9.661 458 HA LYS 61 HA LYS 61 2.425 0.190 -10.173 459 1HB LYS 61 1HB LYS 61 4.122 1.869 -11.981 460 2HB LYS 61 2HB LYS 61 2.818 0.850 -12.603 461 1HG LYS 61 1HG LYS 61 1.124 2.048 -11.264 462 2HG LYS 61 2HG LYS 61 2.372 3.028 -10.534 463 1HD LYS 61 1HD LYS 61 1.244 3.091 -13.330 464 2HD LYS 61 2HD LYS 61 1.366 4.310 -12.100 465 1HE LYS 61 1HE LYS 61 2.989 5.049 -13.602 466 2HE LYS 61 2HE LYS 61 3.925 4.139 -12.399 467 1HZ LYS 61 1HZ LYS 61 3.748 2.229 -14.048 468 2HZ LYS 61 2HZ LYS 61 3.193 3.264 -15.146 469 3HZ LYS 61 3HZ LYS 61 4.689 3.483 -14.563 470 H GLU 62 H GLU 62 5.924 -0.368 -10.492 471 HA GLU 62 HA GLU 62 5.512 -2.701 -12.205 472 1HB GLU 62 1HB GLU 62 7.748 -2.874 -12.301 473 2HB GLU 62 2HB GLU 62 7.579 -1.154 -11.998 474 1HG GLU 62 1HG GLU 62 9.276 -1.548 -10.569 475 2HG GLU 62 2HG GLU 62 7.961 -1.897 -9.460 476 H LYS 63 H LYS 63 5.212 -1.919 -8.842 477 HA LYS 63 HA LYS 63 6.044 -4.587 -7.892 478 1HB LYS 63 1HB LYS 63 4.990 -2.193 -6.327 479 2HB LYS 63 2HB LYS 63 5.760 -3.609 -5.640 480 1HG LYS 63 1HG LYS 63 7.141 -1.616 -7.445 481 2HG LYS 63 2HG LYS 63 7.226 -1.610 -5.702 482 1HD LYS 63 1HD LYS 63 8.048 -4.140 -7.163 483 2HD LYS 63 2HD LYS 63 9.102 -2.723 -7.179 484 1HE LYS 63 1HE LYS 63 9.505 -2.748 -4.903 485 2HE LYS 63 2HE LYS 63 8.001 -3.591 -4.539 486 1HZ LYS 63 1HZ LYS 63 8.960 -5.627 -5.182 487 2HZ LYS 63 2HZ LYS 63 10.292 -4.937 -5.881 488 3HZ LYS 63 3HZ LYS 63 10.112 -4.878 -4.275 489 H GLY 64 H GLY 64 3.870 -4.651 -9.515 490 1HA GLY 64 1HA GLY 64 1.966 -5.908 -9.798 491 2HA GLY 64 2HA GLY 64 2.514 -6.707 -8.331 492 H ALA 65 H ALA 65 1.537 -3.385 -7.868 493 HA ALA 65 HA ALA 65 -0.017 -4.297 -5.788 494 1HB ALA 65 1HB ALA 65 -0.029 -1.506 -6.971 495 2HB ALA 65 2HB ALA 65 -0.373 -1.973 -5.277 496 3HB ALA 65 3HB ALA 65 1.258 -2.195 -5.959 497 H GLU 66 H GLU 66 -2.268 -3.454 -5.144 498 HA GLU 66 HA GLU 66 -4.171 -3.168 -7.367 499 1HB GLU 66 1HB GLU 66 -4.246 -5.423 -5.389 500 2HB GLU 66 2HB GLU 66 -5.719 -4.765 -6.132 501 1HG GLU 66 1HG GLU 66 -4.734 -5.076 -8.358 502 2HG GLU 66 2HG GLU 66 -3.403 -6.011 -7.600 503 H LEU 67 H LEU 67 -3.204 -2.671 -3.976 504 HA LEU 67 HA LEU 67 -5.514 -0.946 -3.563 505 1HB LEU 67 1HB LEU 67 -5.799 -3.372 -2.767 506 2HB LEU 67 2HB LEU 67 -4.515 -3.079 -1.629 507 HG LEU 67 HG LEU 67 -6.724 -3.072 -0.665 508 1HD1 LEU 67 1HD1 LEU 67 -6.016 -0.203 -0.292 509 2HD1 LEU 67 2HD1 LEU 67 -6.511 -1.433 0.869 510 3HD1 LEU 67 3HD1 LEU 67 -4.873 -1.468 0.212 511 1HD2 LEU 67 1HD2 LEU 67 -7.393 -0.571 -2.226 512 2HD2 LEU 67 2HD2 LEU 67 -7.992 -2.210 -2.602 513 3HD2 LEU 67 3HD2 LEU 67 -8.431 -1.443 -1.072 514 H VAL 68 H VAL 68 -5.055 0.589 -1.826 515 HA VAL 68 HA VAL 68 -2.286 0.924 -0.886 516 HB VAL 68 HB VAL 68 -3.624 3.236 -2.301 517 1HG1 VAL 68 1HG1 VAL 68 -0.668 2.755 -2.382 518 2HG1 VAL 68 2HG1 VAL 68 -1.577 4.262 -2.255 519 3HG1 VAL 68 3HG1 VAL 68 -1.379 3.213 -0.832 520 1HG2 VAL 68 1HG2 VAL 68 -2.469 2.853 -4.384 521 2HG2 VAL 68 2HG2 VAL 68 -1.834 1.286 -3.812 522 3HG2 VAL 68 3HG2 VAL 68 -3.577 1.551 -4.071 523 H ILE 69 H ILE 69 -2.345 2.032 1.142 524 HA ILE 69 HA ILE 69 -4.862 3.380 1.874 525 HB ILE 69 HB ILE 69 -3.343 1.527 3.748 526 1HG1 ILE 69 1HG1 ILE 69 -5.885 1.123 2.118 527 2HG1 ILE 69 2HG1 ILE 69 -4.430 0.141 2.152 528 1HG2 ILE 69 1HG2 ILE 69 -5.802 3.327 4.011 529 2HG2 ILE 69 2HG2 ILE 69 -5.466 2.010 5.128 530 3HG2 ILE 69 3HG2 ILE 69 -4.315 3.308 5.006 531 1HD1 ILE 69 1HD1 ILE 69 -6.654 0.285 4.160 532 2HD1 ILE 69 2HD1 ILE 69 -5.980 -1.133 3.323 533 3HD1 ILE 69 3HD1 ILE 69 -5.077 -0.350 4.630 534 H VAL 70 H VAL 70 -4.355 5.410 2.059 535 HA VAL 70 HA VAL 70 -1.649 6.271 2.979 536 HB VAL 70 HB VAL 70 -1.788 7.951 1.101 537 1HG1 VAL 70 1HG1 VAL 70 -0.415 5.975 0.793 538 2HG1 VAL 70 2HG1 VAL 70 -1.808 5.020 0.295 539 3HG1 VAL 70 3HG1 VAL 70 -1.227 6.330 -0.735 540 1HG2 VAL 70 1HG2 VAL 70 -4.010 6.176 -0.020 541 2HG2 VAL 70 2HG2 VAL 70 -4.276 7.735 0.771 542 3HG2 VAL 70 3HG2 VAL 70 -3.338 7.652 -0.733 543 H ARG 71 H ARG 71 -1.592 8.432 3.884 544 HA ARG 71 HA ARG 71 -4.148 9.009 5.198 545 1HB ARG 71 1HB ARG 71 -2.142 8.655 6.554 546 2HB ARG 71 2HB ARG 71 -1.377 10.042 5.782 547 1HG ARG 71 1HG ARG 71 -2.954 11.572 6.692 548 2HG ARG 71 2HG ARG 71 -4.117 10.304 7.043 549 1HD ARG 71 1HD ARG 71 -2.743 9.464 8.852 550 2HD ARG 71 2HD ARG 71 -1.495 10.632 8.566 551 HE ARG 71 HE ARG 71 -2.819 12.369 9.353 552 1HH1 ARG 71 2HH2 ARG 71 -4.892 9.490 8.983 553 2HH1 ARG 71 1HH2 ARG 71 -6.238 10.154 9.825 554 1HH2 ARG 71 2HH1 ARG 71 -4.813 13.396 10.048 555 2HH2 ARG 71 1HH1 ARG 71 -6.235 12.433 10.245 556 H GLY 72 H GLY 72 -1.615 10.989 3.610 557 1HA GLY 72 1HA GLY 72 -3.633 13.121 3.103 558 2HA GLY 72 2HA GLY 72 -1.885 13.296 3.165 559 H ILE 73 H ILE 73 -0.961 11.463 1.469 560 HA ILE 73 HA ILE 73 -0.145 11.541 -0.597 561 HB ILE 73 HB ILE 73 -1.783 9.691 -0.562 562 1HG1 ILE 73 1HG1 ILE 73 -1.907 10.563 -3.431 563 2HG1 ILE 73 2HG1 ILE 73 -0.334 10.366 -2.699 564 1HG2 ILE 73 1HG2 ILE 73 -3.870 9.798 -1.969 565 2HG2 ILE 73 2HG2 ILE 73 -3.945 10.748 -0.479 566 3HG2 ILE 73 3HG2 ILE 73 -3.710 11.551 -2.034 567 1HD1 ILE 73 1HD1 ILE 73 -1.037 8.308 -3.813 568 2HD1 ILE 73 2HD1 ILE 73 -0.915 8.040 -2.071 569 3HD1 ILE 73 3HD1 ILE 73 -2.505 8.234 -2.847 570 H GLY 74 H GLY 74 -1.794 12.195 -3.155 571 1HA GLY 74 1HA GLY 74 -2.867 14.703 -3.159 572 2HA GLY 74 2HA GLY 74 -1.140 14.930 -3.544 573 H ARG 75 H ARG 75 -3.392 15.297 -5.302 574 HA ARG 75 HA ARG 75 -4.403 13.545 -6.932 575 1HB ARG 75 1HB ARG 75 -4.900 15.856 -7.135 576 2HB ARG 75 2HB ARG 75 -3.270 16.284 -7.582 577 1HG ARG 75 1HG ARG 75 -4.718 16.497 -9.505 578 2HG ARG 75 2HG ARG 75 -3.501 15.288 -9.752 579 1HD ARG 75 1HD ARG 75 -5.302 14.160 -10.630 580 2HD ARG 75 2HD ARG 75 -5.482 13.589 -8.993 581 HE ARG 75 HE ARG 75 -7.036 15.588 -8.649 582 1HH1 ARG 75 2HH2 ARG 75 -7.084 13.495 -11.447 583 2HH1 ARG 75 1HH2 ARG 75 -8.517 14.204 -12.124 584 1HH2 ARG 75 2HH1 ARG 75 -9.082 16.440 -9.555 585 2HH2 ARG 75 1HH1 ARG 75 -9.649 15.704 -11.014 586 H ARG 76 H ARG 76 -1.018 14.612 -7.481 587 HA ARG 76 HA ARG 76 -0.720 13.389 -10.023 588 1HB ARG 76 1HB ARG 76 0.874 15.030 -9.098 589 2HB ARG 76 2HB ARG 76 1.335 13.865 -7.828 590 1HG ARG 76 1HG ARG 76 2.285 12.341 -9.551 591 2HG ARG 76 2HG ARG 76 1.744 13.442 -10.816 592 1HD ARG 76 1HD ARG 76 4.089 13.771 -10.412 593 2HD ARG 76 2HD ARG 76 3.200 15.205 -9.875 594 HE ARG 76 HE ARG 76 3.979 13.081 -7.913 595 1HH1 ARG 76 2HH2 ARG 76 4.503 16.435 -9.029 596 2HH1 ARG 76 1HH2 ARG 76 5.548 16.807 -7.710 597 1HH2 ARG 76 2HH1 ARG 76 5.267 13.602 -6.236 598 2HH2 ARG 76 1HH1 ARG 76 6.025 15.172 -6.080 599 H ALA 77 H ALA 77 -0.628 11.935 -6.813 600 HA ALA 77 HA ALA 77 0.562 9.446 -7.850 601 1HB ALA 77 1HB ALA 77 0.427 8.757 -5.495 602 2HB ALA 77 2HB ALA 77 1.287 10.297 -5.671 603 3HB ALA 77 3HB ALA 77 -0.397 10.290 -5.097 604 H ILE 78 H ILE 78 -2.698 10.662 -6.760 605 HA ILE 78 HA ILE 78 -4.076 8.269 -6.998 606 HB ILE 78 HB ILE 78 -4.802 11.149 -7.620 607 1HG1 ILE 78 1HG1 ILE 78 -6.414 10.714 -5.775 608 2HG1 ILE 78 2HG1 ILE 78 -5.749 9.096 -5.594 609 1HG2 ILE 78 1HG2 ILE 78 -6.616 8.732 -7.968 610 2HG2 ILE 78 2HG2 ILE 78 -7.177 10.424 -7.887 611 3HG2 ILE 78 3HG2 ILE 78 -6.137 9.903 -9.203 612 1HD1 ILE 78 1HD1 ILE 78 -4.982 10.784 -3.916 613 2HD1 ILE 78 2HD1 ILE 78 -3.671 9.947 -4.779 614 3HD1 ILE 78 3HD1 ILE 78 -4.136 11.622 -5.218 615 H ALA 79 H ALA 79 -3.137 10.638 -9.593 616 HA ALA 79 HA ALA 79 -4.144 9.107 -11.703 617 1HB ALA 79 1HB ALA 79 -3.769 11.406 -11.928 618 2HB ALA 79 2HB ALA 79 -1.982 11.194 -11.767 619 3HB ALA 79 3HB ALA 79 -2.861 10.564 -13.182 620 H ALA 80 H ALA 80 -1.529 7.972 -9.811 621 HA ALA 80 HA ALA 80 -0.211 6.572 -12.053 622 1HB ALA 80 1HB ALA 80 0.112 6.473 -9.025 623 2HB ALA 80 2HB ALA 80 1.033 5.552 -10.206 624 3HB ALA 80 3HB ALA 80 1.138 7.356 -10.172 625 H PHE 81 H PHE 81 -2.200 5.876 -9.016 626 HA PHE 81 HA PHE 81 -2.489 3.183 -9.546 627 1HB PHE 81 1HB PHE 81 -4.087 5.236 -7.963 628 2HB PHE 81 2HB PHE 81 -4.204 3.500 -7.756 629 HD1 PHE 81 1HD PHE 81 -1.366 2.596 -7.768 630 HD2 PHE 81 2HD PHE 81 -3.183 6.083 -5.978 631 HE1 PHE 81 1HE PHE 81 0.381 2.603 -6.038 632 HE2 PHE 81 2HE PHE 81 -1.400 6.088 -4.243 633 HZ PHE 81 HZ PHE 81 0.360 4.335 -4.268 634 H GLU 82 H GLU 82 -4.473 6.054 -10.430 635 HA GLU 82 HA GLU 82 -6.543 4.695 -11.754 636 1HB GLU 82 1HB GLU 82 -5.184 7.342 -12.330 637 2HB GLU 82 2HB GLU 82 -6.686 6.851 -13.084 638 1HG GLU 82 1HG GLU 82 -7.765 6.654 -10.795 639 2HG GLU 82 2HG GLU 82 -6.276 7.252 -10.092 640 H ALA 83 H ALA 83 -3.135 4.709 -12.731 641 HA ALA 83 HA ALA 83 -3.764 4.450 -15.577 642 1HB ALA 83 1HB ALA 83 -1.442 3.972 -15.843 643 2HB ALA 83 2HB ALA 83 -1.547 5.307 -14.650 644 3HB ALA 83 3HB ALA 83 -1.223 3.640 -14.119 645 H MET 84 H MET 84 -3.879 2.515 -12.755 646 HA MET 84 HA MET 84 -4.188 -0.015 -14.306 647 1HB MET 84 1HB MET 84 -3.136 -1.000 -12.080 648 2HB MET 84 2HB MET 84 -2.176 -0.437 -13.446 649 1HG MET 84 1HG MET 84 -1.688 1.667 -12.251 650 2HG MET 84 2HG MET 84 -2.742 1.180 -10.939 651 1HE MET 84 1HE MET 84 1.014 -1.368 -11.837 652 2HE MET 84 2HE MET 84 -0.522 -1.578 -12.645 653 3HE MET 84 3HE MET 84 0.460 -0.129 -12.989 654 H GLY 85 H GLY 85 -5.965 2.142 -12.692 655 1HA GLY 85 1HA GLY 85 -7.778 2.124 -11.300 656 2HA GLY 85 2HA GLY 85 -8.109 0.506 -11.963 657 H VAL 86 H VAL 86 -5.345 1.648 -10.013 658 HA VAL 86 HA VAL 86 -5.738 -0.560 -8.092 659 HB VAL 86 HB VAL 86 -3.590 1.546 -8.704 660 1HG1 VAL 86 1HG1 VAL 86 -2.276 0.664 -6.699 661 2HG1 VAL 86 2HG1 VAL 86 -3.666 1.687 -6.279 662 3HG1 VAL 86 3HG1 VAL 86 -3.772 -0.071 -6.098 663 1HG2 VAL 86 1HG2 VAL 86 -2.228 -0.529 -8.726 664 2HG2 VAL 86 2HG2 VAL 86 -3.633 -1.461 -8.250 665 3HG2 VAL 86 3HG2 VAL 86 -3.635 -0.674 -9.817 666 H LYS 87 H LYS 87 -7.017 -0.449 -6.409 667 HA LYS 87 HA LYS 87 -8.512 1.987 -5.918 668 1HB LYS 87 1HB LYS 87 -9.592 -0.139 -5.557 669 2HB LYS 87 2HB LYS 87 -8.406 -0.608 -4.326 670 1HG LYS 87 1HG LYS 87 -9.202 1.020 -2.758 671 2HG LYS 87 2HG LYS 87 -9.912 1.969 -4.056 672 1HD LYS 87 1HD LYS 87 -11.826 1.306 -3.301 673 2HD LYS 87 2HD LYS 87 -11.535 -0.157 -4.238 674 1HE LYS 87 1HE LYS 87 -11.037 -1.406 -2.250 675 2HE LYS 87 2HE LYS 87 -10.790 0.075 -1.299 676 1HZ LYS 87 1HZ LYS 87 -13.400 -0.652 -2.461 677 2HZ LYS 87 2HZ LYS 87 -13.010 -1.003 -0.904 678 3HZ LYS 87 3HZ LYS 87 -13.095 0.565 -1.404 679 H VAL 88 H VAL 88 -8.248 3.546 -4.397 680 HA VAL 88 HA VAL 88 -5.886 3.375 -2.613 681 HB VAL 88 HB VAL 88 -5.159 4.431 -4.575 682 1HG1 VAL 88 1HG1 VAL 88 -7.612 6.231 -4.555 683 2HG1 VAL 88 2HG1 VAL 88 -6.183 6.454 -5.602 684 3HG1 VAL 88 3HG1 VAL 88 -7.168 5.027 -5.766 685 1HG2 VAL 88 1HG2 VAL 88 -5.770 6.647 -2.602 686 2HG2 VAL 88 2HG2 VAL 88 -4.435 5.484 -2.484 687 3HG2 VAL 88 3HG2 VAL 88 -4.486 6.629 -3.828 688 H ILE 89 H ILE 89 -6.581 3.439 -0.625 689 HA ILE 89 HA ILE 89 -9.141 4.694 0.192 690 HB ILE 89 HB ILE 89 -7.234 2.608 1.246 691 1HG1 ILE 89 1HG1 ILE 89 -10.252 2.441 0.997 692 2HG1 ILE 89 2HG1 ILE 89 -9.212 2.218 -0.412 693 1HG2 ILE 89 1HG2 ILE 89 -7.898 4.080 3.240 694 2HG2 ILE 89 2HG2 ILE 89 -9.536 3.499 3.004 695 3HG2 ILE 89 3HG2 ILE 89 -8.262 2.363 3.382 696 1HD1 ILE 89 1HD1 ILE 89 -9.821 0.097 0.506 697 2HD1 ILE 89 2HD1 ILE 89 -8.073 0.361 0.645 698 3HD1 ILE 89 3HD1 ILE 89 -9.101 0.533 2.085 699 H LYS 90 H LYS 90 -8.923 6.836 0.820 700 HA LYS 90 HA LYS 90 -6.303 7.658 1.915 701 1HB LYS 90 1HB LYS 90 -8.490 8.926 0.295 702 2HB LYS 90 2HB LYS 90 -7.310 9.928 1.024 703 1HG LYS 90 1HG LYS 90 -5.540 9.092 -0.267 704 2HG LYS 90 2HG LYS 90 -6.356 7.584 -0.665 705 1HD LYS 90 1HD LYS 90 -7.307 10.254 -1.668 706 2HD LYS 90 2HD LYS 90 -6.050 9.309 -2.518 707 1HE LYS 90 1HE LYS 90 -7.874 7.366 -2.387 708 2HE LYS 90 2HE LYS 90 -8.920 8.706 -2.028 709 1HZ LYS 90 1HZ LYS 90 -7.462 8.478 -4.556 710 2HZ LYS 90 2HZ LYS 90 -9.086 8.330 -4.249 711 3HZ LYS 90 3HZ LYS 90 -8.361 9.785 -4.032 712 H GLY 91 H GLY 91 -6.147 8.546 3.710 713 1HA GLY 91 1HA GLY 91 -6.942 10.299 5.269 714 2HA GLY 91 2HA GLY 91 -8.526 9.519 5.267 715 H ALA 92 H ALA 92 -6.091 7.111 5.390 716 HA ALA 92 HA ALA 92 -7.173 6.406 7.989 717 1HB ALA 92 1HB ALA 92 -6.613 4.870 5.953 718 2HB ALA 92 2HB ALA 92 -4.975 4.857 6.617 719 3HB ALA 92 3HB ALA 92 -6.301 4.287 7.616 720 H SER 93 H SER 93 -5.202 5.186 9.513 721 HA SER 93 HA SER 93 -2.993 6.943 9.987 722 1HB SER 93 1HB SER 93 -4.005 7.509 12.334 723 2HB SER 93 2HB SER 93 -4.406 8.499 10.938 724 HG SER 93 HG SER 93 -6.439 7.966 11.196 725 H GLY 94 H GLY 94 -1.661 6.007 11.694 726 1HA GLY 94 1HA GLY 94 -1.850 4.544 13.735 727 2HA GLY 94 2HA GLY 94 -2.633 3.336 12.735 728 H THR 95 H THR 95 -1.114 1.705 12.954 729 HA THR 95 HA THR 95 1.554 2.163 11.741 730 HB THR 95 HB THR 95 2.008 -0.115 12.846 731 HG1 THR 95 1HG THR 95 0.371 0.047 14.871 732 1HG2 THR 95 1HG2 THR 95 2.507 0.887 15.023 733 2HG2 THR 95 2HG2 THR 95 2.912 1.978 13.685 734 3HG2 THR 95 3HG2 THR 95 1.451 2.274 14.633 735 H VAL 96 H VAL 96 2.274 0.050 10.548 736 HA VAL 96 HA VAL 96 0.608 -0.246 8.324 737 HB VAL 96 HB VAL 96 3.045 -1.690 9.390 738 1HG1 VAL 96 1HG1 VAL 96 3.121 -3.070 7.247 739 2HG1 VAL 96 2HG1 VAL 96 2.006 -3.640 8.485 740 3HG1 VAL 96 3HG1 VAL 96 1.382 -2.756 7.089 741 1HG2 VAL 96 1HG2 VAL 96 2.421 -0.285 6.774 742 2HG2 VAL 96 2HG2 VAL 96 3.117 0.453 8.213 743 3HG2 VAL 96 3HG2 VAL 96 4.012 -0.822 7.341 744 H GLU 97 H GLU 97 1.199 -2.617 10.986 745 HA GLU 97 HA GLU 97 -0.571 -4.494 9.908 746 1HB GLU 97 1HB GLU 97 -0.656 -5.539 12.110 747 2HB GLU 97 2HB GLU 97 0.963 -5.200 11.526 748 1HG GLU 97 1HG GLU 97 1.361 -3.543 13.119 749 2HG GLU 97 2HG GLU 97 -0.340 -3.211 13.409 750 H GLU 98 H GLU 98 -1.237 -1.703 11.976 751 HA GLU 98 HA GLU 98 -3.877 -2.462 12.837 752 1HB GLU 98 1HB GLU 98 -2.396 -0.804 14.030 753 2HB GLU 98 2HB GLU 98 -2.654 0.331 12.695 754 1HG GLU 98 1HG GLU 98 -5.190 0.006 13.138 755 2HG GLU 98 2HG GLU 98 -4.714 -0.796 14.642 756 H VAL 99 H VAL 99 -2.604 -0.159 10.311 757 HA VAL 99 HA VAL 99 -5.137 0.521 9.261 758 HB VAL 99 HB VAL 99 -2.267 0.564 8.214 759 1HG1 VAL 99 1HG1 VAL 99 -2.959 2.148 6.529 760 2HG1 VAL 99 2HG1 VAL 99 -3.781 0.607 6.289 761 3HG1 VAL 99 3HG1 VAL 99 -4.660 1.942 7.054 762 1HG2 VAL 99 1HG2 VAL 99 -2.920 2.115 10.165 763 2HG2 VAL 99 2HG2 VAL 99 -2.437 2.971 8.692 764 3HG2 VAL 99 3HG2 VAL 99 -4.154 2.808 9.082 765 H VAL 100 H VAL 100 -3.221 -2.367 8.798 766 HA VAL 100 HA VAL 100 -4.521 -3.195 6.252 767 HB VAL 100 HB VAL 100 -2.675 -4.627 8.237 768 1HG1 VAL 100 1HG1 VAL 100 -2.629 -6.497 6.558 769 2HG1 VAL 100 2HG1 VAL 100 -4.175 -6.328 7.391 770 3HG1 VAL 100 3HG1 VAL 100 -3.997 -5.729 5.724 771 1HG2 VAL 100 1HG2 VAL 100 -1.092 -4.699 6.390 772 2HG2 VAL 100 2HG2 VAL 100 -2.259 -3.914 5.300 773 3HG2 VAL 100 3HG2 VAL 100 -1.565 -3.029 6.673 774 H ASN 101 H ASN 101 -4.571 -3.936 9.781 775 HA ASN 101 HA ASN 101 -6.780 -5.733 9.666 776 1HB ASN 101 1HB ASN 101 -5.578 -3.966 11.808 777 2HB ASN 101 2HB ASN 101 -7.107 -4.703 12.070 778 1HD2 ASN 101 1HD2 ASN 101 -3.710 -5.297 11.903 779 2HD2 ASN 101 2HD2 ASN 101 -3.758 -6.892 12.618 780 H GLN 102 H GLN 102 -6.743 -2.134 9.973 781 HA GLN 102 HA GLN 102 -9.462 -1.836 10.581 782 1HB GLN 102 1HB GLN 102 -7.720 0.087 8.947 783 2HB GLN 102 2HB GLN 102 -9.344 0.449 9.506 784 1HG GLN 102 1HG GLN 102 -8.599 0.154 11.863 785 2HG GLN 102 2HG GLN 102 -6.953 -0.057 11.302 786 1HE2 GLN 102 1HE2 GLN 102 -7.852 2.031 13.070 787 2HE2 GLN 102 2HE2 GLN 102 -7.444 3.512 12.264 788 H TYR 103 H TYR 103 -7.878 -1.841 7.364 789 HA TYR 103 HA TYR 103 -10.407 -1.531 5.962 790 1HB TYR 103 1HB TYR 103 -8.577 -0.641 4.919 791 2HB TYR 103 2HB TYR 103 -7.549 -2.035 5.148 792 HD1 TYR 103 1HD TYR 103 -10.712 -0.962 3.425 793 HD2 TYR 103 2HD TYR 103 -7.328 -3.632 3.423 794 HE1 TYR 103 1HE TYR 103 -11.487 -1.919 1.271 795 HE2 TYR 103 2HE TYR 103 -8.111 -4.629 1.289 796 HH TYR 103 HH TYR 103 -10.124 -4.780 -0.141 797 H LEU 104 H LEU 104 -8.236 -4.342 6.589 798 HA LEU 104 HA LEU 104 -9.782 -6.122 5.000 799 1HB LEU 104 1HB LEU 104 -8.081 -6.634 7.478 800 2HB LEU 104 2HB LEU 104 -8.831 -7.907 6.524 801 HG LEU 104 HG LEU 104 -6.721 -5.967 5.496 802 1HD1 LEU 104 1HD1 LEU 104 -5.949 -7.794 7.071 803 2HD1 LEU 104 2HD1 LEU 104 -6.581 -8.968 5.912 804 3HD1 LEU 104 3HD1 LEU 104 -5.257 -7.897 5.439 805 1HD2 LEU 104 1HD2 LEU 104 -8.164 -8.230 4.074 806 2HD2 LEU 104 2HD2 LEU 104 -8.146 -6.503 3.632 807 3HD2 LEU 104 3HD2 LEU 104 -6.671 -7.449 3.490 808 H SER 105 H SER 105 -10.296 -4.791 8.248 809 HA SER 105 HA SER 105 -12.511 -6.587 8.886 810 1HB SER 105 1HB SER 105 -11.368 -4.116 10.204 811 2HB SER 105 2HB SER 105 -12.811 -4.954 10.783 812 HG SER 105 HG SER 105 -10.938 -5.778 11.799 813 H GLY 106 H GLY 106 -12.270 -3.850 6.820 814 1HA GLY 106 1HA GLY 106 -13.980 -2.980 5.550 815 2HA GLY 106 2HA GLY 106 -15.191 -3.676 6.625 816 H GLN 107 H GLN 107 -12.820 -1.957 8.432 817 HA GLN 107 HA GLN 107 -14.771 0.026 9.225 818 1HB GLN 107 1HB GLN 107 -11.792 0.025 9.803 819 2HB GLN 107 2HB GLN 107 -13.047 0.859 10.695 820 1HG GLN 107 1HG GLN 107 -12.770 -2.173 10.592 821 2HG GLN 107 2HG GLN 107 -12.021 -1.152 11.803 822 1HE2 GLN 107 1HE2 GLN 107 -13.994 -3.339 12.300 823 2HE2 GLN 107 2HE2 GLN 107 -15.364 -2.562 13.011 824 H LEU 108 H LEU 108 -11.955 0.003 7.046 825 HA LEU 108 HA LEU 108 -11.879 2.909 6.746 826 1HB LEU 108 1HB LEU 108 -10.266 0.544 5.911 827 2HB LEU 108 2HB LEU 108 -10.182 1.848 4.776 828 HG LEU 108 HG LEU 108 -9.641 2.116 7.733 829 1HD1 LEU 108 1HD1 LEU 108 -7.641 1.916 5.487 830 2HD1 LEU 108 2HD1 LEU 108 -7.270 2.182 7.206 831 3HD1 LEU 108 3HD1 LEU 108 -7.971 0.656 6.693 832 1HD2 LEU 108 1HD2 LEU 108 -8.651 4.229 7.294 833 2HD2 LEU 108 2HD2 LEU 108 -8.934 4.084 5.540 834 3HD2 LEU 108 3HD2 LEU 108 -10.279 4.278 6.677 835 H LYS 109 H LYS 109 -11.819 3.945 4.439 836 HA LYS 109 HA LYS 109 -13.175 2.610 2.349 837 1HB LYS 109 1HB LYS 109 -14.938 3.753 4.130 838 2HB LYS 109 2HB LYS 109 -14.593 5.153 3.115 839 1HG LYS 109 1HG LYS 109 -16.528 4.033 2.202 840 2HG LYS 109 2HG LYS 109 -15.188 3.699 1.105 841 1HD LYS 109 1HD LYS 109 -14.887 1.511 2.605 842 2HD LYS 109 2HD LYS 109 -16.523 1.868 3.108 843 1HE LYS 109 1HE LYS 109 -15.634 1.726 0.205 844 2HE LYS 109 2HE LYS 109 -16.033 0.269 1.130 845 1HZ LYS 109 1HZ LYS 109 -17.904 2.488 0.585 846 2HZ LYS 109 2HZ LYS 109 -17.986 0.962 -0.013 847 3HZ LYS 109 3HZ LYS 109 -18.197 1.190 1.588 848 H ASP 110 H ASP 110 -13.795 4.603 0.663 849 HA ASP 110 HA ASP 110 -11.108 5.702 0.006 850 1HB ASP 110 1HB ASP 110 -11.357 4.546 -2.202 851 2HB ASP 110 2HB ASP 110 -11.028 3.516 -0.835 852 H SER 111 H SER 111 -13.428 7.111 0.888 853 HA SER 111 HA SER 111 -15.125 7.809 -1.252 854 1HB SER 111 1HB SER 111 -14.873 9.512 1.209 855 2HB SER 111 2HB SER 111 -16.326 8.873 0.449 856 HG SER 111 HG SER 111 -15.158 8.020 2.566 857 H ASP 112 H ASP 112 -12.142 8.923 -0.744 858 HA ASP 112 HA ASP 112 -12.695 11.777 -1.585 859 1HB ASP 112 1HB ASP 112 -10.463 10.573 0.072 860 2HB ASP 112 2HB ASP 112 -10.121 11.990 -0.913 861 H TYR 113 H TYR 113 -12.989 11.181 -3.757 862 HA TYR 113 HA TYR 113 -10.504 10.349 -5.205 863 1HB TYR 113 1HB TYR 113 -13.078 9.092 -5.265 864 2HB TYR 113 2HB TYR 113 -12.862 9.871 -6.821 865 HD1 TYR 113 1HD TYR 113 -12.942 6.835 -5.783 866 HD2 TYR 113 2HD TYR 113 -9.843 9.474 -7.265 867 HE1 TYR 113 1HE TYR 113 -11.717 4.897 -6.657 868 HE2 TYR 113 2HE TYR 113 -8.612 7.501 -8.130 869 HH TYR 113 HH TYR 113 -9.908 4.185 -7.985 870 H GLU 114 H GLU 114 -10.623 11.184 -7.695 871 HA GLU 114 HA GLU 114 -11.930 13.726 -7.893 872 1HB GLU 114 1HB GLU 114 -9.796 15.040 -8.037 873 2HB GLU 114 2HB GLU 114 -10.302 14.535 -6.445 874 1HG GLU 114 1HG GLU 114 -8.658 12.638 -6.524 875 2HG GLU 114 2HG GLU 114 -8.075 13.241 -8.065 876 H VAL 115 H VAL 115 -12.600 13.778 -9.905 877 HA VAL 115 HA VAL 115 -11.754 11.856 -11.792 878 HB VAL 115 HB VAL 115 -13.618 12.736 -13.120 879 1HG1 VAL 115 1HG1 VAL 115 -15.362 12.126 -11.590 880 2HG1 VAL 115 2HG1 VAL 115 -13.949 11.132 -11.218 881 3HG1 VAL 115 3HG1 VAL 115 -14.372 12.503 -10.173 882 1HG2 VAL 115 1HG2 VAL 115 -13.352 15.178 -12.532 883 2HG2 VAL 115 2HG2 VAL 115 -14.998 14.554 -12.405 884 3HG2 VAL 115 3HG2 VAL 115 -14.040 14.824 -10.936 885 H HIS 116 H HIS 116 -11.762 12.546 -14.282 886 HA HIS 116 HA HIS 116 -10.588 13.333 -16.027 887 1HB HIS 116 1HB HIS 116 -10.376 15.941 -14.491 888 2HB HIS 116 2HB HIS 116 -9.994 15.690 -16.181 889 HD1 HIS 116 1HD HIS 116 -12.305 14.844 -17.753 890 HD2 HIS 116 2HD HIS 116 -12.766 16.898 -14.059 891 HE1 HIS 116 1HE HIS 116 -14.605 15.907 -17.775 892 HE2 HIS 116 2HE HIS 116 -14.918 17.123 -15.552 893 H ASP 117 H ASP 117 -9.062 11.673 -15.392 894 HA ASP 117 HA ASP 117 -6.647 12.204 -13.948 895 1HB ASP 117 1HB ASP 117 -6.118 9.927 -14.431 896 2HB ASP 117 2HB ASP 117 -7.792 10.030 -13.917 897 H HIS 118 H HIS 118 -5.807 13.990 -15.172 898 HA HIS 118 HA HIS 118 -5.403 14.141 -17.852 899 1HB HIS 118 1HB HIS 118 -3.869 15.912 -17.496 900 2HB HIS 118 2HB HIS 118 -5.074 15.993 -16.237 901 HD1 HIS 118 1HD HIS 118 -4.139 15.781 -13.696 902 HD2 HIS 118 2HD HIS 118 -1.334 15.058 -16.792 903 HE1 HIS 118 1HE HIS 118 -1.826 15.655 -12.592 904 HE2 HIS 118 2HE HIS 118 -0.129 15.178 -14.436 905 H HIS 119 H HIS 119 -3.550 11.973 -16.016 906 HA HIS 119 HA HIS 119 -1.439 10.907 -16.477 907 1HB HIS 119 1HB HIS 119 -3.548 9.609 -16.579 908 2HB HIS 119 2HB HIS 119 -3.603 9.846 -18.318 909 HD1 HIS 119 1HD HIS 119 -1.630 8.496 -19.788 910 HD2 HIS 119 2HD HIS 119 -2.085 7.636 -15.656 911 HE1 HIS 119 1HE HIS 119 -0.446 6.300 -19.367 912 HE2 HIS 119 2HE HIS 119 -0.684 5.768 -16.881 913 H HIS 120 H HIS 120 0.322 11.957 -17.454 914 HA HIS 120 HA HIS 120 0.504 11.399 -20.359 915 1HB HIS 120 1HB HIS 120 0.131 13.991 -19.603 916 2HB HIS 120 2HB HIS 120 1.867 13.898 -19.385 917 HD1 HIS 120 1HD HIS 120 2.751 15.195 -21.552 918 HD2 HIS 120 2HD HIS 120 -0.534 12.605 -22.246 919 HE1 HIS 120 1HE HIS 120 2.176 15.349 -24.036 920 HE2 HIS 120 2HE HIS 120 0.218 13.837 -24.477 921 H HIS 121 H HIS 121 2.788 11.040 -21.010 922 HA HIS 121 HA HIS 121 4.499 9.621 -20.756 923 1HB HIS 121 1HB HIS 121 5.128 11.460 -18.405 924 2HB HIS 121 2HB HIS 121 6.244 10.262 -19.047 925 HD1 HIS 121 1HD HIS 121 5.274 13.793 -19.714 926 HD2 HIS 121 2HD HIS 121 6.642 10.410 -21.873 927 HE1 HIS 121 1HE HIS 121 6.035 14.623 -22.042 928 HE2 HIS 121 2HE HIS 121 6.825 12.554 -23.342 929 H GLU 122 H GLU 122 5.731 8.648 -18.272 930 HA GLU 122 HA GLU 122 5.731 6.549 -17.492 931 1HB GLU 122 1HB GLU 122 3.834 8.126 -15.747 932 2HB GLU 122 2HB GLU 122 4.308 6.477 -15.360 933 1HG GLU 122 1HG GLU 122 5.809 7.729 -14.145 934 2HG GLU 122 2HG GLU 122 6.748 7.198 -15.542 935 H HIS 123 H HIS 123 5.151 4.881 -18.664 936 HA HIS 123 HA HIS 123 2.302 4.160 -19.144 937 1HB HIS 123 1HB HIS 123 4.061 4.314 -21.039 938 2HB HIS 123 2HB HIS 123 4.833 2.918 -20.321 939 HD1 HIS 123 1HD HIS 123 3.974 0.650 -21.147 940 HD2 HIS 123 2HD HIS 123 1.247 3.837 -21.741 941 HE1 HIS 123 1HE HIS 123 2.069 -0.259 -22.671 942 HE2 HIS 123 2HE HIS 123 0.368 1.670 -22.934 943 H HIS 124 H HIS 124 2.249 1.532 -19.216 944 HA HIS 124 HA HIS 124 3.410 0.434 -16.732 945 1HB HIS 124 1HB HIS 124 2.177 -1.579 -17.193 946 2HB HIS 124 2HB HIS 124 1.088 -0.218 -17.185 947 HD1 HIS 124 1HD HIS 124 2.539 -2.847 -19.584 948 HD2 HIS 124 2HD HIS 124 -0.389 0.200 -19.328 949 HE1 HIS 124 1HE HIS 124 0.924 -3.191 -21.532 950 HE2 HIS 124 2HE HIS 124 -0.844 -1.346 -21.394 Start of MODEL 19 1 1H MET 1 1H MET 1 -4.320 -9.894 -3.859 2 HA MET 1 HA MET 1 -3.702 -7.298 -5.006 3 1HB MET 1 1HB MET 1 -5.324 -6.293 -3.797 4 2HB MET 1 2HB MET 1 -6.003 -7.899 -3.922 5 1HG MET 1 1HG MET 1 -4.796 -8.152 -1.569 6 2HG MET 1 2HG MET 1 -5.016 -6.419 -1.580 7 1HE MET 1 1HE MET 1 -7.933 -6.593 -3.613 8 2HE MET 1 2HE MET 1 -9.017 -6.224 -2.258 9 3HE MET 1 3HE MET 1 -7.488 -5.343 -2.448 10 H ILE 2 H ILE 2 -2.404 -5.819 -4.051 11 HA ILE 2 HA ILE 2 -0.697 -6.629 -1.778 12 HB ILE 2 HB ILE 2 0.317 -5.119 -4.183 13 1HG1 ILE 2 1HG1 ILE 2 0.297 -8.114 -3.776 14 2HG1 ILE 2 2HG1 ILE 2 -0.302 -7.188 -5.143 15 1HG2 ILE 2 1HG2 ILE 2 1.485 -5.065 -1.891 16 2HG2 ILE 2 2HG2 ILE 2 2.030 -6.682 -2.299 17 3HG2 ILE 2 3HG2 ILE 2 2.424 -5.328 -3.369 18 1HD1 ILE 2 1HD1 ILE 2 1.912 -6.635 -5.865 19 2HD1 ILE 2 2HD1 ILE 2 2.650 -7.488 -4.481 20 3HD1 ILE 2 3HD1 ILE 2 1.740 -8.376 -5.721 21 H ILE 3 H ILE 3 -0.423 -4.870 -0.492 22 HA ILE 3 HA ILE 3 -2.260 -2.564 -0.770 23 HB ILE 3 HB ILE 3 -1.499 -4.530 1.409 24 1HG1 ILE 3 1HG1 ILE 3 -4.301 -3.759 0.620 25 2HG1 ILE 3 2HG1 ILE 3 -3.377 -4.898 -0.328 26 1HG2 ILE 3 1HG2 ILE 3 -3.259 -2.962 2.753 27 2HG2 ILE 3 2HG2 ILE 3 -1.507 -2.715 2.803 28 3HG2 ILE 3 3HG2 ILE 3 -2.482 -1.756 1.691 29 1HD1 ILE 3 1HD1 ILE 3 -3.033 -6.289 1.731 30 2HD1 ILE 3 2HD1 ILE 3 -3.959 -5.113 2.684 31 3HD1 ILE 3 3HD1 ILE 3 -4.766 -6.030 1.412 32 H ALA 4 H ALA 4 -0.870 -0.896 -1.180 33 HA ALA 4 HA ALA 4 1.747 -0.801 0.319 34 1HB ALA 4 1HB ALA 4 0.843 0.738 -2.035 35 2HB ALA 4 2HB ALA 4 1.805 1.623 -0.821 36 3HB ALA 4 3HB ALA 4 2.460 0.185 -1.534 37 H ILE 5 H ILE 5 2.218 0.530 1.975 38 HA ILE 5 HA ILE 5 0.295 2.661 2.678 39 HB ILE 5 HB ILE 5 1.649 0.732 4.596 40 1HG1 ILE 5 1HG1 ILE 5 -1.288 1.476 4.261 41 2HG1 ILE 5 2HG1 ILE 5 -0.572 0.079 3.457 42 1HG2 ILE 5 1HG2 ILE 5 0.039 3.270 5.175 43 2HG2 ILE 5 2HG2 ILE 5 0.626 2.130 6.394 44 3HG2 ILE 5 3HG2 ILE 5 1.778 3.073 5.471 45 1HD1 ILE 5 1HD1 ILE 5 -0.040 -0.966 5.556 46 2HD1 ILE 5 2HD1 ILE 5 -0.751 0.400 6.459 47 3HD1 ILE 5 3HD1 ILE 5 -1.774 -0.607 5.419 48 HA PRO 6 HA PRO 6 4.335 4.631 2.149 49 1HB PRO 6 1HB PRO 6 3.578 7.230 2.589 50 2HB PRO 6 2HB PRO 6 3.227 6.358 1.055 51 1HG PRO 6 1HG PRO 6 1.359 7.092 3.256 52 2HG PRO 6 2HG PRO 6 1.043 6.854 1.520 53 1HD PRO 6 1HD PRO 6 0.603 4.961 3.618 54 2HD PRO 6 2HD PRO 6 0.510 4.649 1.871 55 H VAL 7 H VAL 7 5.692 4.161 3.923 56 HA VAL 7 HA VAL 7 4.746 5.167 6.568 57 HB VAL 7 HB VAL 7 6.050 3.397 7.650 58 1HG1 VAL 7 1HG1 VAL 7 3.629 3.111 7.211 59 2HG1 VAL 7 2HG1 VAL 7 4.048 2.162 5.758 60 3HG1 VAL 7 3HG1 VAL 7 4.544 1.623 7.379 61 1HG2 VAL 7 1HG2 VAL 7 6.539 2.293 4.861 62 2HG2 VAL 7 2HG2 VAL 7 7.739 2.825 6.079 63 3HG2 VAL 7 3HG2 VAL 7 6.775 1.383 6.358 64 H SER 8 H SER 8 6.335 5.631 8.113 65 HA SER 8 HA SER 8 8.147 7.571 6.883 66 1HB SER 8 1HB SER 8 7.552 7.224 9.835 67 2HB SER 8 2HB SER 8 8.067 8.665 8.955 68 HG SER 8 HG SER 8 5.539 7.376 8.913 69 H GLU 9 H GLU 9 8.503 4.401 8.531 70 HA GLU 9 HA GLU 9 11.411 4.730 8.547 71 1HB GLU 9 1HB GLU 9 9.711 4.263 11.038 72 2HB GLU 9 2HB GLU 9 11.446 3.928 10.935 73 1HG GLU 9 1HG GLU 9 11.863 6.307 10.362 74 2HG GLU 9 2HG GLU 9 10.142 6.639 10.612 75 H ASN 10 H ASN 10 12.343 2.494 9.272 76 HA ASN 10 HA ASN 10 10.770 0.341 7.917 77 1HB ASN 10 1HB ASN 10 12.984 0.778 6.925 78 2HB ASN 10 2HB ASN 10 13.739 0.383 8.483 79 1HD2 ASN 10 1HD2 ASN 10 14.359 -1.114 6.115 80 2HD2 ASN 10 2HD2 ASN 10 13.657 -2.686 6.266 81 H ARG 11 H ARG 11 9.434 0.285 9.706 82 HA ARG 11 HA ARG 11 10.625 -1.195 12.030 83 1HB ARG 11 1HB ARG 11 8.308 0.783 12.112 84 2HB ARG 11 2HB ARG 11 9.039 -0.094 13.458 85 1HG ARG 11 1HG ARG 11 11.209 1.130 12.911 86 2HG ARG 11 2HG ARG 11 10.261 2.132 11.806 87 1HD ARG 11 1HD ARG 11 8.788 2.841 13.627 88 2HD ARG 11 2HD ARG 11 9.581 1.721 14.731 89 HE ARG 11 HE ARG 11 11.330 3.778 13.519 90 1HH1 ARG 11 2HH2 ARG 11 9.555 2.709 16.424 91 2HH1 ARG 11 1HH2 ARG 11 9.876 4.148 17.306 92 1HH2 ARG 11 2HH1 ARG 11 11.850 5.565 14.696 93 2HH2 ARG 11 1HH1 ARG 11 11.337 5.797 16.354 94 H GLY 12 H GLY 12 9.893 -2.768 10.003 95 1HA GLY 12 1HA GLY 12 7.681 -3.780 9.205 96 2HA GLY 12 2HA GLY 12 8.732 -4.873 10.101 97 H LYS 13 H LYS 13 5.648 -3.825 9.851 98 HA LYS 13 HA LYS 13 3.733 -4.316 10.905 99 1HB LYS 13 1HB LYS 13 5.202 -5.165 13.403 100 2HB LYS 13 2HB LYS 13 3.516 -5.416 13.007 101 1HG LYS 13 1HG LYS 13 3.984 -6.966 11.270 102 2HG LYS 13 2HG LYS 13 5.689 -6.553 11.193 103 1HD LYS 13 1HD LYS 13 4.442 -7.924 13.574 104 2HD LYS 13 2HD LYS 13 5.261 -8.753 12.233 105 1HE LYS 13 1HE LYS 13 7.379 -7.978 12.801 106 2HE LYS 13 2HE LYS 13 6.745 -6.461 13.386 107 1HZ LYS 13 1HZ LYS 13 6.738 -8.959 14.925 108 2HZ LYS 13 2HZ LYS 13 7.497 -7.527 15.242 109 3HZ LYS 13 3HZ LYS 13 5.875 -7.611 15.343 110 H ASP 14 H ASP 14 6.042 -2.924 13.244 111 HA ASP 14 HA ASP 14 4.186 -1.044 14.379 112 1HB ASP 14 1HB ASP 14 7.169 -0.632 14.298 113 2HB ASP 14 2HB ASP 14 6.037 -0.030 15.485 114 H SER 15 H SER 15 5.561 -1.074 11.407 115 HA SER 15 HA SER 15 6.794 1.150 10.553 116 1HB SER 15 1HB SER 15 4.682 -0.302 9.042 117 2HB SER 15 2HB SER 15 6.061 0.641 8.403 118 HG SER 15 HG SER 15 6.851 -1.194 10.235 119 HA PRO 16 HA PRO 16 3.409 3.988 11.735 120 1HB PRO 16 1HB PRO 16 4.823 6.321 12.031 121 2HB PRO 16 2HB PRO 16 4.827 4.985 13.228 122 1HG PRO 16 1HG PRO 16 6.883 5.556 11.074 123 2HG PRO 16 2HG PRO 16 7.166 5.176 12.802 124 1HD PRO 16 1HD PRO 16 7.347 3.281 10.846 125 2HD PRO 16 2HD PRO 16 6.712 2.901 12.461 126 H ILE 17 H ILE 17 1.955 4.798 10.250 127 HA ILE 17 HA ILE 17 2.592 5.160 7.542 128 HB ILE 17 HB ILE 17 0.305 4.679 8.523 129 1HG1 ILE 17 1HG1 ILE 17 0.117 7.049 6.676 130 2HG1 ILE 17 2HG1 ILE 17 0.773 5.497 6.138 131 1HG2 ILE 17 1HG2 ILE 17 0.092 7.628 9.078 132 2HG2 ILE 17 2HG2 ILE 17 -1.030 6.286 9.397 133 3HG2 ILE 17 3HG2 ILE 17 0.464 6.398 10.314 134 1HD1 ILE 17 1HD1 ILE 17 -1.307 4.343 6.870 135 2HD1 ILE 17 2HD1 ILE 17 -2.013 5.920 7.309 136 3HD1 ILE 17 3HD1 ILE 17 -1.596 5.564 5.613 137 H SER 18 H SER 18 2.877 6.965 6.281 138 HA SER 18 HA SER 18 3.964 9.345 7.667 139 1HB SER 18 1HB SER 18 5.042 7.671 5.712 140 2HB SER 18 2HB SER 18 4.328 8.994 4.768 141 HG SER 18 HG SER 18 6.108 9.182 6.993 142 H GLU 19 H GLU 19 3.688 11.388 6.277 143 HA GLU 19 HA GLU 19 0.788 11.640 6.036 144 1HB GLU 19 1HB GLU 19 3.085 13.631 6.056 145 2HB GLU 19 2HB GLU 19 1.468 14.139 5.590 146 1HG GLU 19 1HG GLU 19 0.934 14.413 7.739 147 2HG GLU 19 2HG GLU 19 1.020 12.675 7.961 148 H HIS 20 H HIS 20 3.611 11.861 3.929 149 HA HIS 20 HA HIS 20 1.896 12.632 1.597 150 1HB HIS 20 1HB HIS 20 4.938 12.662 2.046 151 2HB HIS 20 2HB HIS 20 4.125 13.347 0.659 152 HD1 HIS 20 1HD HIS 20 2.312 15.510 1.377 153 HD2 HIS 20 2HD HIS 20 5.156 14.154 4.223 154 HE1 HIS 20 1HE HIS 20 2.339 17.215 3.314 155 HE2 HIS 20 2HE HIS 20 4.012 16.330 5.045 156 H PHE 21 H PHE 21 2.780 11.681 -0.475 157 HA PHE 21 HA PHE 21 3.425 8.769 -0.180 158 1HB PHE 21 1HB PHE 21 1.103 9.002 -0.800 159 2HB PHE 21 2HB PHE 21 1.532 10.143 -2.095 160 HD1 PHE 21 1HD PHE 21 2.819 9.330 -4.122 161 HD2 PHE 21 2HD PHE 21 1.252 6.616 -1.150 162 HE1 PHE 21 1HE PHE 21 3.044 7.384 -5.711 163 HE2 PHE 21 2HE PHE 21 1.488 4.748 -2.765 164 HZ PHE 21 HZ PHE 21 2.408 5.167 -5.022 165 H GLY 22 H GLY 22 3.363 11.605 -2.343 166 1HA GLY 22 1HA GLY 22 5.589 10.898 -4.008 167 2HA GLY 22 2HA GLY 22 4.950 12.511 -3.747 168 H ARG 23 H ARG 23 5.651 11.558 -0.691 169 HA ARG 23 HA ARG 23 8.566 11.744 -0.702 170 1HB ARG 23 1HB ARG 23 7.725 14.134 -0.634 171 2HB ARG 23 2HB ARG 23 6.863 13.786 0.862 172 1HG ARG 23 1HG ARG 23 8.811 13.582 2.119 173 2HG ARG 23 2HG ARG 23 9.782 13.056 0.728 174 1HD ARG 23 1HD ARG 23 10.600 15.113 1.073 175 2HD ARG 23 2HD ARG 23 9.388 15.387 -0.179 176 HE ARG 23 HE ARG 23 9.129 15.915 2.762 177 1HH1 ARG 23 2HH2 ARG 23 8.117 16.872 -0.520 178 2HH1 ARG 23 1HH2 ARG 23 7.096 18.155 -0.006 179 1HH2 ARG 23 2HH1 ARG 23 7.832 17.622 3.469 180 2HH2 ARG 23 1HH1 ARG 23 6.880 18.587 2.409 181 H ALA 24 H ALA 24 6.973 9.795 -0.296 182 HA ALA 24 HA ALA 24 6.815 9.105 2.620 183 1HB ALA 24 1HB ALA 24 5.059 8.133 1.175 184 2HB ALA 24 2HB ALA 24 6.307 7.320 0.199 185 3HB ALA 24 3HB ALA 24 6.092 6.892 1.911 186 HA PRO 25 HA PRO 25 11.143 8.032 1.679 187 1HB PRO 25 1HB PRO 25 11.928 7.158 4.168 188 2HB PRO 25 2HB PRO 25 11.867 8.845 3.655 189 1HG PRO 25 1HG PRO 25 9.890 7.392 5.368 190 2HG PRO 25 2HG PRO 25 10.410 9.086 5.443 191 1HD PRO 25 1HD PRO 25 8.041 8.170 4.292 192 2HD PRO 25 2HD PRO 25 8.824 9.724 3.906 193 H TYR 26 H TYR 26 8.616 5.848 2.909 194 HA TYR 26 HA TYR 26 9.967 3.593 1.574 195 1HB TYR 26 1HB TYR 26 8.850 3.447 4.371 196 2HB TYR 26 2HB TYR 26 9.754 2.215 3.505 197 HD1 TYR 26 1HD TYR 26 10.041 5.324 5.454 198 HD2 TYR 26 2HD TYR 26 12.139 2.089 3.585 199 HE1 TYR 26 1HE TYR 26 12.145 6.056 6.566 200 HE2 TYR 26 2HE TYR 26 14.231 2.809 4.637 201 HH TYR 26 HH TYR 26 14.445 5.818 6.621 202 H PHE 27 H PHE 27 8.362 1.720 1.387 203 HA PHE 27 HA PHE 27 5.511 2.486 1.476 204 1HB PHE 27 1HB PHE 27 6.855 1.376 -0.988 205 2HB PHE 27 2HB PHE 27 5.149 1.328 -0.743 206 HD1 PHE 27 1HD PHE 27 7.675 3.044 -2.371 207 HD2 PHE 27 2HD PHE 27 4.201 3.812 0.050 208 HE1 PHE 27 1HE PHE 27 7.474 5.252 -3.410 209 HE2 PHE 27 2HE PHE 27 3.998 6.046 -0.956 210 HZ PHE 27 HZ PHE 27 5.608 6.785 -2.721 211 H ALA 28 H ALA 28 4.880 0.958 2.940 212 HA ALA 28 HA ALA 28 6.036 -1.745 2.972 213 1HB ALA 28 1HB ALA 28 5.507 -0.659 5.104 214 2HB ALA 28 2HB ALA 28 3.814 -0.406 4.600 215 3HB ALA 28 3HB ALA 28 4.438 -2.048 4.856 216 H PHE 29 H PHE 29 5.463 -2.663 1.047 217 HA PHE 29 HA PHE 29 2.631 -2.725 0.204 218 1HB PHE 29 1HB PHE 29 5.211 -3.335 -1.092 219 2HB PHE 29 2HB PHE 29 3.928 -4.472 -1.457 220 HD1 PHE 29 1HD PHE 29 5.465 -1.795 -2.874 221 HD2 PHE 29 2HD PHE 29 1.438 -2.929 -1.775 222 HE1 PHE 29 1HE PHE 29 4.541 -0.545 -4.744 223 HE2 PHE 29 2HE PHE 29 0.553 -1.272 -3.324 224 HZ PHE 29 HZ PHE 29 2.070 -0.202 -4.973 225 H VAL 30 H VAL 30 1.565 -3.818 1.727 226 HA VAL 30 HA VAL 30 2.493 -6.370 2.803 227 HB VAL 30 HB VAL 30 -0.128 -4.778 3.025 228 1HG1 VAL 30 1HG1 VAL 30 -0.618 -6.005 5.074 229 2HG1 VAL 30 2HG1 VAL 30 -0.557 -7.078 3.679 230 3HG1 VAL 30 3HG1 VAL 30 0.802 -7.025 4.812 231 1HG2 VAL 30 1HG2 VAL 30 0.785 -4.152 5.326 232 2HG2 VAL 30 2HG2 VAL 30 2.370 -4.674 4.705 233 3HG2 VAL 30 3HG2 VAL 30 1.492 -3.348 3.931 234 H LYS 31 H LYS 31 1.338 -8.456 2.266 235 HA LYS 31 HA LYS 31 -0.026 -8.299 -0.393 236 1HB LYS 31 1HB LYS 31 1.600 -10.489 0.988 237 2HB LYS 31 2HB LYS 31 0.666 -10.713 -0.503 238 1HG LYS 31 1HG LYS 31 2.050 -8.434 -1.126 239 2HG LYS 31 2HG LYS 31 3.156 -9.111 0.014 240 1HD LYS 31 1HD LYS 31 3.878 -9.964 -2.074 241 2HD LYS 31 2HD LYS 31 2.931 -11.313 -1.392 242 1HE LYS 31 1HE LYS 31 0.922 -10.475 -2.658 243 2HE LYS 31 2HE LYS 31 1.884 -9.118 -3.246 244 1HZ LYS 31 1HZ LYS 31 3.155 -10.627 -4.610 245 2HZ LYS 31 2HZ LYS 31 2.291 -11.935 -4.012 246 3HZ LYS 31 3HZ LYS 31 1.558 -10.782 -4.870 247 H VAL 32 H VAL 32 -1.534 -10.540 -0.535 248 HA VAL 32 HA VAL 32 -2.778 -10.993 2.015 249 HB VAL 32 HB VAL 32 -4.654 -10.403 -0.315 250 1HG1 VAL 32 1HG1 VAL 32 -5.209 -10.430 2.681 251 2HG1 VAL 32 2HG1 VAL 32 -6.391 -10.325 1.366 252 3HG1 VAL 32 3HG1 VAL 32 -5.472 -11.820 1.622 253 1HG2 VAL 32 1HG2 VAL 32 -4.081 -8.436 1.930 254 2HG2 VAL 32 2HG2 VAL 32 -3.617 -8.216 0.228 255 3HG2 VAL 32 3HG2 VAL 32 -5.327 -8.284 0.679 256 H LYS 33 H LYS 33 -3.361 -13.059 2.206 257 HA LYS 33 HA LYS 33 -3.908 -14.796 -0.142 258 1HB LYS 33 1HB LYS 33 -1.486 -15.086 0.468 259 2HB LYS 33 2HB LYS 33 -1.970 -15.446 2.131 260 1HG LYS 33 1HG LYS 33 -3.424 -17.282 0.524 261 2HG LYS 33 2HG LYS 33 -1.851 -17.130 -0.254 262 1HD LYS 33 1HD LYS 33 -1.512 -18.897 1.215 263 2HD LYS 33 2HD LYS 33 -0.831 -17.519 2.094 264 1HE LYS 33 1HE LYS 33 -2.994 -17.297 3.350 265 2HE LYS 33 2HE LYS 33 -3.633 -18.681 2.455 266 1HZ LYS 33 1HZ LYS 33 -1.789 -20.008 3.435 267 2HZ LYS 33 2HZ LYS 33 -1.391 -18.706 4.364 268 3HZ LYS 33 3HZ LYS 33 -2.884 -19.425 4.507 269 H ASN 34 H ASN 34 -5.856 -15.812 0.383 270 HA ASN 34 HA ASN 34 -7.680 -16.440 1.582 271 1HB ASN 34 1HB ASN 34 -5.843 -18.106 2.197 272 2HB ASN 34 2HB ASN 34 -5.773 -17.302 3.768 273 1HD2 ASN 34 1HD2 ASN 34 -7.326 -17.944 5.299 274 2HD2 ASN 34 2HD2 ASN 34 -8.735 -18.928 4.945 275 H ASN 35 H ASN 35 -7.186 -13.747 1.815 276 HA ASN 35 HA ASN 35 -7.629 -11.818 2.927 277 1HB ASN 35 1HB ASN 35 -9.791 -13.396 3.471 278 2HB ASN 35 2HB ASN 35 -9.221 -13.002 5.100 279 1HD2 ASN 35 1HD2 ASN 35 -8.596 -10.495 5.282 280 2HD2 ASN 35 2HD2 ASN 35 -9.740 -9.389 4.495 281 H ALA 36 H ALA 36 -5.402 -13.718 4.080 282 HA ALA 36 HA ALA 36 -5.014 -12.245 6.608 283 1HB ALA 36 1HB ALA 36 -5.067 -14.683 6.877 284 2HB ALA 36 2HB ALA 36 -3.813 -14.878 5.623 285 3HB ALA 36 3HB ALA 36 -3.437 -14.081 7.164 286 H ILE 37 H ILE 37 -2.402 -11.842 6.838 287 HA ILE 37 HA ILE 37 -1.988 -9.856 4.881 288 HB ILE 37 HB ILE 37 -0.665 -10.895 7.370 289 1HG1 ILE 37 1HG1 ILE 37 -0.801 -8.520 8.039 290 2HG1 ILE 37 2HG1 ILE 37 -1.419 -8.096 6.441 291 1HG2 ILE 37 1HG2 ILE 37 1.232 -9.348 7.260 292 2HG2 ILE 37 2HG2 ILE 37 1.354 -10.663 6.097 293 3HG2 ILE 37 3HG2 ILE 37 0.875 -9.054 5.542 294 1HD1 ILE 37 1HD1 ILE 37 -3.491 -9.324 6.875 295 2HD1 ILE 37 2HD1 ILE 37 -2.825 -9.971 8.396 296 3HD1 ILE 37 3HD1 ILE 37 -3.165 -8.241 8.236 297 H ALA 38 H ALA 38 -1.152 -13.099 4.731 298 HA ALA 38 HA ALA 38 0.370 -14.413 3.720 299 1HB ALA 38 1HB ALA 38 0.716 -14.101 1.412 300 2HB ALA 38 2HB ALA 38 -0.851 -13.366 1.784 301 3HB ALA 38 3HB ALA 38 0.530 -12.334 1.531 302 H ASP 39 H ASP 39 1.699 -11.110 3.119 303 HA ASP 39 HA ASP 39 3.959 -11.542 4.758 304 1HB ASP 39 1HB ASP 39 4.361 -12.697 2.268 305 2HB ASP 39 2HB ASP 39 5.008 -11.109 1.988 306 H ILE 40 H ILE 40 5.722 -9.636 4.208 307 HA ILE 40 HA ILE 40 4.299 -7.255 3.211 308 HB ILE 40 HB ILE 40 5.699 -7.537 5.886 309 1HG1 ILE 40 1HG1 ILE 40 2.898 -6.976 4.971 310 2HG1 ILE 40 2HG1 ILE 40 3.458 -8.241 6.060 311 1HG2 ILE 40 1HG2 ILE 40 5.482 -5.138 6.260 312 2HG2 ILE 40 2HG2 ILE 40 6.494 -5.427 4.884 313 3HG2 ILE 40 3HG2 ILE 40 4.809 -4.912 4.628 314 1HD1 ILE 40 1HD1 ILE 40 3.879 -6.507 7.794 315 2HD1 ILE 40 2HD1 ILE 40 3.193 -5.288 6.674 316 3HD1 ILE 40 3HD1 ILE 40 2.178 -6.594 7.270 317 H SER 41 H SER 41 5.484 -5.954 2.047 318 HA SER 41 HA SER 41 8.392 -6.399 1.673 319 1HB SER 41 1HB SER 41 6.211 -5.088 -0.026 320 2HB SER 41 2HB SER 41 7.878 -5.279 -0.482 321 HG SER 41 HG SER 41 7.609 -7.538 -0.318 322 H VAL 42 H VAL 42 9.071 -5.067 3.507 323 HA VAL 42 HA VAL 42 8.075 -2.276 3.509 324 HB VAL 42 HB VAL 42 8.026 -3.360 5.612 325 1HG1 VAL 42 1HG1 VAL 42 9.889 -3.997 6.928 326 2HG1 VAL 42 2HG1 VAL 42 9.876 -4.967 5.460 327 3HG1 VAL 42 3HG1 VAL 42 11.036 -3.622 5.630 328 1HG2 VAL 42 1HG2 VAL 42 10.028 -1.106 5.298 329 2HG2 VAL 42 2HG2 VAL 42 8.302 -0.992 5.635 330 3HG2 VAL 42 3HG2 VAL 42 9.388 -1.622 6.882 331 H GLU 43 H GLU 43 8.884 -1.948 1.403 332 HA GLU 43 HA GLU 43 11.804 -2.138 0.976 333 1HB GLU 43 1HB GLU 43 9.829 -1.030 -0.992 334 2HB GLU 43 2HB GLU 43 11.368 -1.776 -1.322 335 1HG GLU 43 1HG GLU 43 8.939 -3.324 -0.314 336 2HG GLU 43 2HG GLU 43 9.244 -2.989 -1.999 337 H GLU 44 H GLU 44 13.031 -0.217 0.451 338 HA GLU 44 HA GLU 44 12.214 2.299 1.592 339 1HB GLU 44 1HB GLU 44 14.520 1.285 -0.135 340 2HB GLU 44 2HB GLU 44 14.457 2.936 0.500 341 1HG GLU 44 1HG GLU 44 14.737 2.248 2.694 342 2HG GLU 44 2HG GLU 44 14.188 0.604 2.410 343 H ASN 45 H ASN 45 11.934 4.294 0.318 344 HA ASN 45 HA ASN 45 10.655 3.821 -2.302 345 1HB ASN 45 1HB ASN 45 9.577 5.361 -0.740 346 2HB ASN 45 2HB ASN 45 11.023 6.378 -0.721 347 1HD2 ASN 45 1HD2 ASN 45 8.830 7.650 -1.357 348 2HD2 ASN 45 2HD2 ASN 45 8.690 7.986 -3.093 349 HA PRO 46 HA PRO 46 14.788 4.661 -3.984 350 1HB PRO 46 1HB PRO 46 14.210 4.321 -6.660 351 2HB PRO 46 2HB PRO 46 14.487 3.000 -5.507 352 1HG PRO 46 1HG PRO 46 11.840 4.166 -6.438 353 2HG PRO 46 2HG PRO 46 12.307 2.441 -6.313 354 1HD PRO 46 1HD PRO 46 10.859 3.685 -4.403 355 2HD PRO 46 2HD PRO 46 12.094 2.467 -3.982 356 H LEU 47 H LEU 47 11.995 6.620 -4.387 357 HA LEU 47 HA LEU 47 13.604 8.916 -5.470 358 1HB LEU 47 1HB LEU 47 10.808 7.983 -6.276 359 2HB LEU 47 2HB LEU 47 11.455 9.584 -6.649 360 HG LEU 47 HG LEU 47 11.394 8.447 -8.575 361 1HD1 LEU 47 1HD1 LEU 47 14.277 8.390 -7.696 362 2HD1 LEU 47 2HD1 LEU 47 13.674 8.463 -9.363 363 3HD1 LEU 47 3HD1 LEU 47 13.372 9.804 -8.254 364 1HD2 LEU 47 1HD2 LEU 47 12.363 6.352 -9.148 365 2HD2 LEU 47 2HD2 LEU 47 13.009 6.137 -7.534 366 3HD2 LEU 47 3HD2 LEU 47 11.256 6.125 -7.786 367 H ALA 48 H ALA 48 13.126 8.385 -2.696 368 HA ALA 48 HA ALA 48 10.712 9.526 -1.623 369 1HB ALA 48 1HB ALA 48 12.063 9.716 0.447 370 2HB ALA 48 2HB ALA 48 12.337 8.135 -0.319 371 3HB ALA 48 3HB ALA 48 13.542 9.418 -0.488 372 H GLN 49 H GLN 49 13.730 11.008 -2.781 373 HA GLN 49 HA GLN 49 12.440 13.655 -2.395 374 1HB GLN 49 1HB GLN 49 14.800 12.624 -1.013 375 2HB GLN 49 2HB GLN 49 15.256 14.001 -1.978 376 1HG GLN 49 1HG GLN 49 12.935 13.998 -0.002 377 2HG GLN 49 2HG GLN 49 14.575 14.499 0.393 378 1HE2 GLN 49 1HE2 GLN 49 14.359 15.730 -2.689 379 2HE2 GLN 49 2HE2 GLN 49 13.807 17.330 -2.244 380 H ASP 50 H ASP 50 14.070 11.552 -4.627 381 HA ASP 50 HA ASP 50 15.653 13.759 -5.639 382 1HB ASP 50 1HB ASP 50 16.500 11.411 -5.172 383 2HB ASP 50 2HB ASP 50 15.671 10.905 -6.633 384 H HIS 51 H HIS 51 14.968 15.069 -7.187 385 HA HIS 51 HA HIS 51 13.826 15.918 -8.977 386 1HB HIS 51 1HB HIS 51 15.267 13.530 -10.185 387 2HB HIS 51 2HB HIS 51 14.681 14.900 -11.102 388 HD1 HIS 51 1HD HIS 51 15.723 17.423 -9.852 389 HD2 HIS 51 2HD HIS 51 17.810 13.740 -9.641 390 HE1 HIS 51 1HE HIS 51 18.172 17.982 -9.359 391 HE2 HIS 51 2HE HIS 51 19.429 15.736 -9.192 392 H VAL 52 H VAL 52 11.916 14.768 -7.639 393 HA VAL 52 HA VAL 52 11.171 12.269 -8.136 394 HB VAL 52 HB VAL 52 9.438 14.571 -7.155 395 1HG1 VAL 52 1HG1 VAL 52 7.900 12.781 -7.710 396 2HG1 VAL 52 2HG1 VAL 52 8.966 11.584 -6.950 397 3HG1 VAL 52 3HG1 VAL 52 8.132 12.792 -5.947 398 1HG2 VAL 52 1HG2 VAL 52 11.484 14.222 -5.834 399 2HG2 VAL 52 2HG2 VAL 52 10.085 13.656 -4.929 400 3HG2 VAL 52 3HG2 VAL 52 11.148 12.483 -5.728 401 H HIS 53 H HIS 53 9.663 15.039 -9.773 402 HA HIS 53 HA HIS 53 8.310 15.314 -11.507 403 1HB HIS 53 1HB HIS 53 10.616 13.739 -12.394 404 2HB HIS 53 2HB HIS 53 9.254 13.476 -13.444 405 HD1 HIS 53 1HD HIS 53 11.468 14.699 -14.898 406 HD2 HIS 53 2HD HIS 53 8.676 17.020 -12.694 407 HE1 HIS 53 1HE HIS 53 11.528 17.071 -15.866 408 HE2 HIS 53 2HE HIS 53 9.805 18.457 -14.546 409 H GLY 54 H GLY 54 8.658 11.775 -11.778 410 1HA GLY 54 1HA GLY 54 5.791 11.348 -11.482 411 2HA GLY 54 2HA GLY 54 6.380 11.183 -13.149 412 H ALA 55 H ALA 55 8.757 10.300 -10.745 413 HA ALA 55 HA ALA 55 8.566 7.574 -11.817 414 1HB ALA 55 1HB ALA 55 10.957 7.502 -11.159 415 2HB ALA 55 2HB ALA 55 10.541 8.785 -12.313 416 3HB ALA 55 3HB ALA 55 10.804 9.189 -10.597 417 H VAL 56 H VAL 56 8.195 9.147 -8.703 418 HA VAL 56 HA VAL 56 8.740 6.953 -6.988 419 HB VAL 56 HB VAL 56 6.979 9.402 -6.935 420 1HG1 VAL 56 1HG1 VAL 56 6.629 7.307 -4.813 421 2HG1 VAL 56 2HG1 VAL 56 5.969 8.945 -4.761 422 3HG1 VAL 56 3HG1 VAL 56 5.375 7.797 -5.964 423 1HG2 VAL 56 1HG2 VAL 56 8.155 9.843 -4.811 424 2HG2 VAL 56 2HG2 VAL 56 8.989 8.283 -4.982 425 3HG2 VAL 56 3HG2 VAL 56 9.240 9.570 -6.169 426 HA PRO 57 HA PRO 57 4.348 5.192 -7.888 427 1HB PRO 57 1HB PRO 57 3.101 5.985 -10.212 428 2HB PRO 57 2HB PRO 57 2.709 6.618 -8.584 429 1HG PRO 57 1HG PRO 57 4.111 7.931 -10.819 430 2HG PRO 57 2HG PRO 57 3.366 8.637 -9.347 431 1HD PRO 57 1HD PRO 57 6.121 8.121 -9.904 432 2HD PRO 57 2HD PRO 57 5.472 8.812 -8.416 433 H ASN 58 H ASN 58 6.484 6.090 -10.605 434 HA ASN 58 HA ASN 58 5.870 4.032 -12.417 435 1HB ASN 58 1HB ASN 58 7.332 6.021 -12.841 436 2HB ASN 58 2HB ASN 58 8.626 5.233 -11.917 437 1HD2 ASN 58 1HD2 ASN 58 8.048 5.969 -14.899 438 2HD2 ASN 58 2HD2 ASN 58 8.671 4.591 -15.704 439 H PHE 59 H PHE 59 8.137 4.097 -9.665 440 HA PHE 59 HA PHE 59 8.982 1.368 -9.804 441 1HB PHE 59 1HB PHE 59 10.288 2.725 -8.408 442 2HB PHE 59 2HB PHE 59 8.899 3.550 -7.706 443 HD1 PHE 59 1HD PHE 59 8.341 3.050 -5.474 444 HD2 PHE 59 2HD PHE 59 10.232 0.027 -7.942 445 HE1 PHE 59 1HE PHE 59 8.239 1.388 -3.614 446 HE2 PHE 59 2HE PHE 59 10.045 -1.596 -6.102 447 HZ PHE 59 HZ PHE 59 9.063 -0.916 -3.929 448 H VAL 60 H VAL 60 6.523 2.704 -7.476 449 HA VAL 60 HA VAL 60 5.819 0.064 -6.665 450 HB VAL 60 HB VAL 60 3.664 1.223 -5.818 451 1HG1 VAL 60 1HG1 VAL 60 6.173 2.731 -4.971 452 2HG1 VAL 60 2HG1 VAL 60 4.724 2.416 -4.019 453 3HG1 VAL 60 3HG1 VAL 60 5.829 1.089 -4.395 454 1HG2 VAL 60 1HG2 VAL 60 5.030 3.649 -6.822 455 2HG2 VAL 60 2HG2 VAL 60 3.579 2.930 -7.559 456 3HG2 VAL 60 3HG2 VAL 60 3.501 3.565 -5.910 457 H LYS 61 H LYS 61 4.709 1.644 -9.596 458 HA LYS 61 HA LYS 61 2.435 -0.133 -9.952 459 1HB LYS 61 1HB LYS 61 4.123 1.479 -11.883 460 2HB LYS 61 2HB LYS 61 2.741 0.508 -12.401 461 1HG LYS 61 1HG LYS 61 1.158 1.948 -11.334 462 2HG LYS 61 2HG LYS 61 2.381 2.650 -10.279 463 1HD LYS 61 1HD LYS 61 1.727 4.244 -11.946 464 2HD LYS 61 2HD LYS 61 3.402 3.783 -12.251 465 1HE LYS 61 1HE LYS 61 1.057 2.444 -13.666 466 2HE LYS 61 2HE LYS 61 1.713 3.983 -14.242 467 1HZ LYS 61 1HZ LYS 61 2.644 2.029 -15.333 468 2HZ LYS 61 2HZ LYS 61 3.800 2.968 -14.636 469 3HZ LYS 61 3HZ LYS 61 3.371 1.550 -13.945 470 H GLU 62 H GLU 62 5.938 -0.581 -10.365 471 HA GLU 62 HA GLU 62 5.566 -2.991 -11.936 472 1HB GLU 62 1HB GLU 62 7.849 -3.282 -11.855 473 2HB GLU 62 2HB GLU 62 7.677 -1.536 -11.886 474 1HG GLU 62 1HG GLU 62 8.793 -1.257 -10.008 475 2HG GLU 62 2HG GLU 62 7.887 -2.492 -9.121 476 H LYS 63 H LYS 63 5.249 -2.153 -8.578 477 HA LYS 63 HA LYS 63 5.680 -4.877 -7.609 478 1HB LYS 63 1HB LYS 63 4.744 -2.393 -6.154 479 2HB LYS 63 2HB LYS 63 5.192 -3.912 -5.388 480 1HG LYS 63 1HG LYS 63 7.084 -2.145 -6.983 481 2HG LYS 63 2HG LYS 63 6.951 -2.152 -5.239 482 1HD LYS 63 1HD LYS 63 7.539 -4.791 -6.600 483 2HD LYS 63 2HD LYS 63 8.784 -3.551 -6.546 484 1HE LYS 63 1HE LYS 63 8.684 -3.451 -4.111 485 2HE LYS 63 2HE LYS 63 7.279 -4.521 -4.064 486 1HZ LYS 63 1HZ LYS 63 8.594 -6.350 -4.425 487 2HZ LYS 63 2HZ LYS 63 9.763 -5.555 -5.249 488 3HZ LYS 63 3HZ LYS 63 9.648 -5.408 -3.615 489 H GLY 64 H GLY 64 3.660 -4.657 -9.522 490 1HA GLY 64 1HA GLY 64 1.571 -5.558 -10.001 491 2HA GLY 64 2HA GLY 64 2.079 -6.655 -8.711 492 H ALA 65 H ALA 65 1.240 -3.281 -8.013 493 HA ALA 65 HA ALA 65 -0.211 -4.297 -5.863 494 1HB ALA 65 1HB ALA 65 -0.051 -1.411 -6.773 495 2HB ALA 65 2HB ALA 65 -0.423 -2.013 -5.130 496 3HB ALA 65 3HB ALA 65 1.179 -2.297 -5.836 497 H GLU 66 H GLU 66 -2.340 -3.310 -5.057 498 HA GLU 66 HA GLU 66 -4.383 -3.041 -7.171 499 1HB GLU 66 1HB GLU 66 -4.077 -5.365 -5.329 500 2HB GLU 66 2HB GLU 66 -5.722 -4.769 -5.685 501 1HG GLU 66 1HG GLU 66 -5.081 -4.900 -8.148 502 2HG GLU 66 2HG GLU 66 -3.667 -5.820 -7.662 503 H LEU 67 H LEU 67 -3.437 -2.820 -3.687 504 HA LEU 67 HA LEU 67 -5.518 -0.712 -3.462 505 1HB LEU 67 1HB LEU 67 -6.030 -2.908 -2.124 506 2HB LEU 67 2HB LEU 67 -4.600 -2.520 -1.200 507 HG LEU 67 HG LEU 67 -5.855 -0.146 -0.914 508 1HD1 LEU 67 1HD1 LEU 67 -7.765 -1.417 -2.397 509 2HD1 LEU 67 2HD1 LEU 67 -8.344 -1.716 -0.763 510 3HD1 LEU 67 3HD1 LEU 67 -8.035 -0.045 -1.303 511 1HD2 LEU 67 1HD2 LEU 67 -6.604 -2.579 0.701 512 2HD2 LEU 67 2HD2 LEU 67 -5.160 -1.585 0.910 513 3HD2 LEU 67 3HD2 LEU 67 -6.770 -0.896 1.188 514 H VAL 68 H VAL 68 -4.857 1.114 -2.220 515 HA VAL 68 HA VAL 68 -2.288 0.936 -0.831 516 HB VAL 68 HB VAL 68 -3.009 3.471 -2.334 517 1HG1 VAL 68 1HG1 VAL 68 -1.359 3.518 -0.420 518 2HG1 VAL 68 2HG1 VAL 68 -0.362 2.384 -1.374 519 3HG1 VAL 68 3HG1 VAL 68 -0.673 4.021 -1.982 520 1HG2 VAL 68 1HG2 VAL 68 -1.341 2.945 -4.047 521 2HG2 VAL 68 2HG2 VAL 68 -1.118 1.310 -3.373 522 3HG2 VAL 68 3HG2 VAL 68 -2.667 1.783 -4.088 523 H ILE 69 H ILE 69 -2.454 1.919 1.210 524 HA ILE 69 HA ILE 69 -4.928 3.439 1.825 525 HB ILE 69 HB ILE 69 -3.289 1.615 3.583 526 1HG1 ILE 69 1HG1 ILE 69 -6.186 1.082 3.440 527 2HG1 ILE 69 2HG1 ILE 69 -5.430 0.918 1.869 528 1HG2 ILE 69 1HG2 ILE 69 -5.556 3.490 4.264 529 2HG2 ILE 69 2HG2 ILE 69 -5.205 2.068 5.233 530 3HG2 ILE 69 3HG2 ILE 69 -3.963 3.293 5.089 531 1HD1 ILE 69 1HD1 ILE 69 -4.137 -0.368 4.316 532 2HD1 ILE 69 2HD1 ILE 69 -5.407 -1.186 3.367 533 3HD1 ILE 69 3HD1 ILE 69 -3.894 -0.646 2.606 534 H VAL 70 H VAL 70 -4.460 5.502 2.244 535 HA VAL 70 HA VAL 70 -1.688 6.295 2.960 536 HB VAL 70 HB VAL 70 -1.897 8.114 1.292 537 1HG1 VAL 70 1HG1 VAL 70 -2.213 5.813 -0.524 538 2HG1 VAL 70 2HG1 VAL 70 -0.830 6.893 -0.234 539 3HG1 VAL 70 3HG1 VAL 70 -1.105 5.517 0.815 540 1HG2 VAL 70 1HG2 VAL 70 -3.559 7.890 -0.565 541 2HG2 VAL 70 2HG2 VAL 70 -4.406 6.659 0.354 542 3HG2 VAL 70 3HG2 VAL 70 -4.290 8.317 0.988 543 H ARG 71 H ARG 71 -1.563 8.560 3.690 544 HA ARG 71 HA ARG 71 -3.915 9.181 5.380 545 1HB ARG 71 1HB ARG 71 -1.680 8.884 6.389 546 2HB ARG 71 2HB ARG 71 -1.111 10.319 5.537 547 1HG ARG 71 1HG ARG 71 -2.562 11.740 6.787 548 2HG ARG 71 2HG ARG 71 -3.557 10.419 7.357 549 1HD ARG 71 1HD ARG 71 -1.814 9.497 8.711 550 2HD ARG 71 2HD ARG 71 -0.601 10.591 8.129 551 HE ARG 71 HE ARG 71 -2.064 10.940 10.387 552 1HH1 ARG 71 2HH2 ARG 71 -1.642 13.123 7.537 553 2HH1 ARG 71 1HH2 ARG 71 -1.753 14.529 8.493 554 1HH2 ARG 71 2HH1 ARG 71 -2.242 12.853 11.596 555 2HH2 ARG 71 1HH1 ARG 71 -2.240 14.380 10.790 556 H GLY 72 H GLY 72 -1.537 11.290 3.643 557 1HA GLY 72 1HA GLY 72 -3.841 13.036 2.913 558 2HA GLY 72 2HA GLY 72 -2.175 13.530 3.148 559 H ILE 73 H ILE 73 -1.176 11.245 1.433 560 HA ILE 73 HA ILE 73 -0.168 11.356 -0.588 561 HB ILE 73 HB ILE 73 -1.879 9.624 -0.534 562 1HG1 ILE 73 1HG1 ILE 73 -2.120 10.461 -3.394 563 2HG1 ILE 73 2HG1 ILE 73 -0.513 10.226 -2.725 564 1HG2 ILE 73 1HG2 ILE 73 -4.072 9.797 -1.754 565 2HG2 ILE 73 2HG2 ILE 73 -3.998 10.798 -0.303 566 3HG2 ILE 73 3HG2 ILE 73 -3.827 11.533 -1.908 567 1HD1 ILE 73 1HD1 ILE 73 -1.367 8.228 -3.837 568 2HD1 ILE 73 2HD1 ILE 73 -1.072 7.922 -2.126 569 3HD1 ILE 73 3HD1 ILE 73 -2.735 8.148 -2.720 570 H GLY 74 H GLY 74 -1.925 12.098 -3.144 571 1HA GLY 74 1HA GLY 74 -2.353 14.833 -3.242 572 2HA GLY 74 2HA GLY 74 -0.691 14.524 -3.792 573 H ARG 75 H ARG 75 -2.922 15.500 -5.447 574 HA ARG 75 HA ARG 75 -4.283 13.400 -6.692 575 1HB ARG 75 1HB ARG 75 -4.230 16.218 -6.947 576 2HB ARG 75 2HB ARG 75 -3.896 15.609 -8.566 577 1HG ARG 75 1HG ARG 75 -6.231 14.782 -6.797 578 2HG ARG 75 2HG ARG 75 -6.302 15.980 -8.076 579 1HD ARG 75 1HD ARG 75 -5.561 13.078 -8.586 580 2HD ARG 75 2HD ARG 75 -7.216 13.693 -8.642 581 HE ARG 75 HE ARG 75 -5.683 15.333 -10.333 582 1HH1 ARG 75 2HH2 ARG 75 -6.946 11.985 -10.175 583 2HH1 ARG 75 1HH2 ARG 75 -6.779 11.666 -11.835 584 1HH2 ARG 75 2HH1 ARG 75 -5.867 15.048 -12.642 585 2HH2 ARG 75 1HH1 ARG 75 -6.431 13.522 -13.240 586 H ARG 76 H ARG 76 -1.203 14.889 -7.620 587 HA ARG 76 HA ARG 76 -0.708 13.569 -10.013 588 1HB ARG 76 1HB ARG 76 0.746 15.303 -9.048 589 2HB ARG 76 2HB ARG 76 1.262 14.202 -7.757 590 1HG ARG 76 1HG ARG 76 2.323 12.720 -9.401 591 2HG ARG 76 2HG ARG 76 1.747 13.735 -10.725 592 1HD ARG 76 1HD ARG 76 3.105 15.535 -9.039 593 2HD ARG 76 2HD ARG 76 4.095 14.075 -9.019 594 HE ARG 76 HE ARG 76 4.788 14.537 -11.116 595 1HH1 ARG 76 2HH2 ARG 76 1.630 16.155 -10.874 596 2HH1 ARG 76 1HH2 ARG 76 2.022 17.359 -12.064 597 1HH2 ARG 76 2HH1 ARG 76 5.132 15.899 -12.913 598 2HH2 ARG 76 1HH1 ARG 76 3.872 16.995 -13.409 599 H ALA 77 H ALA 77 -0.683 12.152 -6.758 600 HA ALA 77 HA ALA 77 0.604 9.684 -7.735 601 1HB ALA 77 1HB ALA 77 -0.450 10.520 -5.005 602 2HB ALA 77 2HB ALA 77 0.372 8.992 -5.361 603 3HB ALA 77 3HB ALA 77 1.247 10.540 -5.508 604 H ILE 78 H ILE 78 -2.737 10.754 -6.464 605 HA ILE 78 HA ILE 78 -4.086 8.450 -6.883 606 HB ILE 78 HB ILE 78 -4.586 11.354 -7.131 607 1HG1 ILE 78 1HG1 ILE 78 -6.253 11.044 -5.592 608 2HG1 ILE 78 2HG1 ILE 78 -6.374 9.288 -5.847 609 1HG2 ILE 78 1HG2 ILE 78 -6.913 11.147 -7.892 610 2HG2 ILE 78 2HG2 ILE 78 -5.762 10.713 -9.167 611 3HG2 ILE 78 3HG2 ILE 78 -6.639 9.448 -8.292 612 1HD1 ILE 78 1HD1 ILE 78 -4.218 10.852 -4.386 613 2HD1 ILE 78 2HD1 ILE 78 -5.447 9.756 -3.693 614 3HD1 ILE 78 3HD1 ILE 78 -4.144 9.100 -4.685 615 H ALA 79 H ALA 79 -2.989 10.761 -9.488 616 HA ALA 79 HA ALA 79 -4.212 9.374 -11.561 617 1HB ALA 79 1HB ALA 79 -2.768 10.603 -13.068 618 2HB ALA 79 2HB ALA 79 -3.345 11.633 -11.745 619 3HB ALA 79 3HB ALA 79 -1.686 10.998 -11.707 620 H ALA 80 H ALA 80 -1.518 8.062 -9.767 621 HA ALA 80 HA ALA 80 -0.645 6.297 -11.969 622 1HB ALA 80 1HB ALA 80 1.066 7.297 -10.556 623 2HB ALA 80 2HB ALA 80 0.274 6.676 -9.086 624 3HB ALA 80 3HB ALA 80 0.954 5.542 -10.253 625 H PHE 81 H PHE 81 -2.366 6.099 -8.719 626 HA PHE 81 HA PHE 81 -3.260 3.530 -8.828 627 1HB PHE 81 1HB PHE 81 -4.350 4.551 -7.130 628 2HB PHE 81 2HB PHE 81 -4.095 6.060 -7.862 629 HD1 PHE 81 1HD PHE 81 -5.986 7.385 -7.739 630 HD2 PHE 81 2HD PHE 81 -6.478 3.270 -8.807 631 HE1 PHE 81 1HE PHE 81 -8.412 7.728 -7.992 632 HE2 PHE 81 2HE PHE 81 -8.888 3.583 -9.028 633 HZ PHE 81 HZ PHE 81 -9.890 5.853 -8.609 634 H GLU 82 H GLU 82 -4.633 6.339 -10.321 635 HA GLU 82 HA GLU 82 -6.516 4.997 -11.905 636 1HB GLU 82 1HB GLU 82 -5.123 7.661 -12.402 637 2HB GLU 82 2HB GLU 82 -6.558 7.146 -13.216 638 1HG GLU 82 1HG GLU 82 -7.667 7.166 -10.787 639 2HG GLU 82 2HG GLU 82 -6.206 7.928 -10.299 640 H ALA 83 H ALA 83 -3.158 4.726 -12.316 641 HA ALA 83 HA ALA 83 -3.427 4.516 -15.230 642 1HB ALA 83 1HB ALA 83 -1.334 5.618 -14.305 643 2HB ALA 83 2HB ALA 83 -0.946 4.086 -13.481 644 3HB ALA 83 3HB ALA 83 -0.995 4.156 -15.246 645 H MET 84 H MET 84 -3.858 2.707 -12.342 646 HA MET 84 HA MET 84 -3.959 0.259 -14.055 647 1HB MET 84 1HB MET 84 -2.953 -0.948 -11.901 648 2HB MET 84 2HB MET 84 -2.005 -0.351 -13.244 649 1HG MET 84 1HG MET 84 -1.334 1.622 -12.000 650 2HG MET 84 2HG MET 84 -2.416 1.203 -10.696 651 1HE MET 84 1HE MET 84 -0.641 -1.887 -12.333 652 2HE MET 84 2HE MET 84 0.591 -0.678 -12.777 653 3HE MET 84 3HE MET 84 0.930 -1.921 -11.552 654 H GLY 85 H GLY 85 -5.816 2.185 -12.340 655 1HA GLY 85 1HA GLY 85 -7.808 1.936 -11.154 656 2HA GLY 85 2HA GLY 85 -7.868 0.252 -11.697 657 H VAL 86 H VAL 86 -5.253 1.757 -9.827 658 HA VAL 86 HA VAL 86 -5.434 -0.398 -7.787 659 HB VAL 86 HB VAL 86 -3.350 1.648 -8.592 660 1HG1 VAL 86 1HG1 VAL 86 -1.902 0.815 -6.696 661 2HG1 VAL 86 2HG1 VAL 86 -3.146 1.984 -6.319 662 3HG1 VAL 86 3HG1 VAL 86 -3.404 0.267 -5.895 663 1HG2 VAL 86 1HG2 VAL 86 -3.468 -1.345 -8.030 664 2HG2 VAL 86 2HG2 VAL 86 -3.442 -0.606 -9.622 665 3HG2 VAL 86 3HG2 VAL 86 -2.019 -0.516 -8.551 666 H LYS 87 H LYS 87 -7.078 -0.121 -6.398 667 HA LYS 87 HA LYS 87 -8.519 2.173 -5.909 668 1HB LYS 87 1HB LYS 87 -9.054 -0.266 -5.477 669 2HB LYS 87 2HB LYS 87 -8.138 -0.079 -3.982 670 1HG LYS 87 1HG LYS 87 -9.828 1.969 -3.600 671 2HG LYS 87 2HG LYS 87 -10.769 1.139 -4.833 672 1HD LYS 87 1HD LYS 87 -10.010 -0.896 -3.033 673 2HD LYS 87 2HD LYS 87 -10.270 0.498 -1.997 674 1HE LYS 87 1HE LYS 87 -12.286 -0.814 -2.109 675 2HE LYS 87 2HE LYS 87 -12.587 0.717 -2.922 676 1HZ LYS 87 1HZ LYS 87 -11.757 -1.684 -4.420 677 2HZ LYS 87 2HZ LYS 87 -13.354 -1.354 -4.056 678 3HZ LYS 87 3HZ LYS 87 -12.491 -0.306 -4.976 679 H VAL 88 H VAL 88 -8.622 3.736 -4.203 680 HA VAL 88 HA VAL 88 -6.123 3.885 -2.636 681 HB VAL 88 HB VAL 88 -7.428 6.456 -3.493 682 1HG1 VAL 88 1HG1 VAL 88 -5.561 6.377 -1.904 683 2HG1 VAL 88 2HG1 VAL 88 -4.553 5.544 -3.103 684 3HG1 VAL 88 3HG1 VAL 88 -5.099 7.209 -3.404 685 1HG2 VAL 88 1HG2 VAL 88 -5.906 4.826 -5.478 686 2HG2 VAL 88 2HG2 VAL 88 -7.487 5.580 -5.650 687 3HG2 VAL 88 3HG2 VAL 88 -6.051 6.589 -5.536 688 H ILE 89 H ILE 89 -6.605 3.585 -0.560 689 HA ILE 89 HA ILE 89 -9.096 4.750 0.536 690 HB ILE 89 HB ILE 89 -7.103 2.696 1.552 691 1HG1 ILE 89 1HG1 ILE 89 -9.976 2.640 0.531 692 2HG1 ILE 89 2HG1 ILE 89 -8.573 1.874 -0.185 693 1HG2 ILE 89 1HG2 ILE 89 -9.606 3.653 2.960 694 2HG2 ILE 89 2HG2 ILE 89 -8.456 2.427 3.529 695 3HG2 ILE 89 3HG2 ILE 89 -7.973 4.121 3.444 696 1HD1 ILE 89 1HD1 ILE 89 -9.857 0.172 0.791 697 2HD1 ILE 89 2HD1 ILE 89 -8.450 0.397 1.866 698 3HD1 ILE 89 3HD1 ILE 89 -10.046 1.053 2.310 699 H LYS 90 H LYS 90 -8.827 6.870 0.867 700 HA LYS 90 HA LYS 90 -6.234 7.875 1.939 701 1HB LYS 90 1HB LYS 90 -8.778 9.234 0.939 702 2HB LYS 90 2HB LYS 90 -7.504 10.120 1.751 703 1HG LYS 90 1HG LYS 90 -6.266 10.309 -0.071 704 2HG LYS 90 2HG LYS 90 -6.301 8.578 -0.390 705 1HD LYS 90 1HD LYS 90 -8.562 10.457 -1.203 706 2HD LYS 90 2HD LYS 90 -7.187 10.051 -2.252 707 1HE LYS 90 1HE LYS 90 -7.708 7.611 -1.952 708 2HE LYS 90 2HE LYS 90 -9.048 8.057 -0.958 709 1HZ LYS 90 1HZ LYS 90 -8.878 8.729 -3.861 710 2HZ LYS 90 2HZ LYS 90 -9.669 7.481 -3.222 711 3HZ LYS 90 3HZ LYS 90 -10.175 8.965 -2.867 712 H GLY 91 H GLY 91 -6.277 9.311 3.817 713 1HA GLY 91 1HA GLY 91 -7.167 10.233 5.711 714 2HA GLY 91 2HA GLY 91 -8.701 9.444 5.394 715 H ALA 92 H ALA 92 -5.833 7.396 5.512 716 HA ALA 92 HA ALA 92 -6.843 6.149 7.996 717 1HB ALA 92 1HB ALA 92 -4.526 5.478 6.128 718 2HB ALA 92 2HB ALA 92 -5.079 4.488 7.505 719 3HB ALA 92 3HB ALA 92 -6.148 4.744 6.108 720 H SER 93 H SER 93 -5.077 5.606 9.677 721 HA SER 93 HA SER 93 -2.751 7.151 9.762 722 1HB SER 93 1HB SER 93 -3.240 8.117 12.059 723 2HB SER 93 2HB SER 93 -3.872 8.935 10.641 724 HG SER 93 HG SER 93 -5.176 7.979 12.774 725 H GLY 94 H GLY 94 -1.388 6.251 11.550 726 1HA GLY 94 1HA GLY 94 -1.285 4.823 13.503 727 2HA GLY 94 2HA GLY 94 -2.436 3.720 12.771 728 H THR 95 H THR 95 -0.486 2.339 13.599 729 HA THR 95 HA THR 95 1.766 2.190 11.771 730 HB THR 95 HB THR 95 2.277 0.125 13.103 731 HG1 THR 95 1HG THR 95 -0.267 0.139 13.671 732 1HG2 THR 95 1HG2 THR 95 1.492 2.427 14.943 733 2HG2 THR 95 2HG2 THR 95 2.779 1.233 15.176 734 3HG2 THR 95 3HG2 THR 95 2.930 2.458 13.895 735 H VAL 96 H VAL 96 2.203 0.148 10.470 736 HA VAL 96 HA VAL 96 0.132 -0.188 8.625 737 HB VAL 96 HB VAL 96 2.632 -1.784 9.244 738 1HG1 VAL 96 1HG1 VAL 96 0.616 -2.410 7.079 739 2HG1 VAL 96 2HG1 VAL 96 2.302 -2.904 6.955 740 3HG1 VAL 96 3HG1 VAL 96 1.276 -3.530 8.271 741 1HG2 VAL 96 1HG2 VAL 96 3.414 -0.808 7.151 742 2HG2 VAL 96 2HG2 VAL 96 1.812 -0.086 6.881 743 3HG2 VAL 96 3HG2 VAL 96 2.789 0.456 8.234 744 H GLU 97 H GLU 97 1.073 -2.388 11.306 745 HA GLU 97 HA GLU 97 -0.763 -4.428 10.659 746 1HB GLU 97 1HB GLU 97 -0.586 -5.241 12.907 747 2HB GLU 97 2HB GLU 97 0.989 -4.873 12.186 748 1HG GLU 97 1HG GLU 97 1.431 -3.273 13.645 749 2HG GLU 97 2HG GLU 97 -0.149 -2.564 13.693 750 H GLU 98 H GLU 98 -1.383 -1.363 12.169 751 HA GLU 98 HA GLU 98 -4.001 -2.070 13.324 752 1HB GLU 98 1HB GLU 98 -2.556 -0.391 14.454 753 2HB GLU 98 2HB GLU 98 -2.612 0.632 13.018 754 1HG GLU 98 1HG GLU 98 -5.154 0.685 13.273 755 2HG GLU 98 2HG GLU 98 -4.942 -0.125 14.828 756 H VAL 99 H VAL 99 -2.742 0.218 10.776 757 HA VAL 99 HA VAL 99 -5.124 0.947 9.618 758 HB VAL 99 HB VAL 99 -2.299 0.446 8.502 759 1HG1 VAL 99 1HG1 VAL 99 -2.848 2.032 6.697 760 2HG1 VAL 99 2HG1 VAL 99 -3.676 0.486 6.576 761 3HG1 VAL 99 3HG1 VAL 99 -4.559 1.909 7.207 762 1HG2 VAL 99 1HG2 VAL 99 -3.686 3.087 9.108 763 2HG2 VAL 99 2HG2 VAL 99 -2.612 2.290 10.282 764 3HG2 VAL 99 3HG2 VAL 99 -1.980 2.839 8.719 765 H VAL 100 H VAL 100 -3.083 -1.846 8.730 766 HA VAL 100 HA VAL 100 -4.678 -2.831 6.603 767 HB VAL 100 HB VAL 100 -2.652 -4.133 8.462 768 1HG1 VAL 100 1HG1 VAL 100 -3.939 -5.369 5.999 769 2HG1 VAL 100 2HG1 VAL 100 -2.454 -5.954 6.781 770 3HG1 VAL 100 3HG1 VAL 100 -3.965 -5.984 7.680 771 1HG2 VAL 100 1HG2 VAL 100 -2.521 -3.291 5.517 772 2HG2 VAL 100 2HG2 VAL 100 -1.845 -2.375 6.877 773 3HG2 VAL 100 3HG2 VAL 100 -1.195 -3.965 6.493 774 H ASN 101 H ASN 101 -4.714 -3.705 10.125 775 HA ASN 101 HA ASN 101 -6.788 -5.656 9.937 776 1HB ASN 101 1HB ASN 101 -5.418 -5.514 11.908 777 2HB ASN 101 2HB ASN 101 -5.799 -3.815 12.152 778 1HD2 ASN 101 1HD2 ASN 101 -7.309 -7.101 12.239 779 2HD2 ASN 101 2HD2 ASN 101 -8.464 -6.615 13.472 780 H GLN 102 H GLN 102 -6.978 -2.083 10.449 781 HA GLN 102 HA GLN 102 -9.758 -1.985 10.829 782 1HB GLN 102 1HB GLN 102 -8.038 0.153 9.481 783 2HB GLN 102 2HB GLN 102 -9.610 0.384 10.224 784 1HG GLN 102 1HG GLN 102 -8.201 -0.734 12.330 785 2HG GLN 102 2HG GLN 102 -6.947 0.178 11.481 786 1HE2 GLN 102 1HE2 GLN 102 -8.875 0.516 14.048 787 2HE2 GLN 102 2HE2 GLN 102 -9.208 2.238 13.958 788 H TYR 103 H TYR 103 -7.958 -1.661 7.785 789 HA TYR 103 HA TYR 103 -10.209 -1.527 6.027 790 1HB TYR 103 1HB TYR 103 -8.207 -0.916 5.209 791 2HB TYR 103 2HB TYR 103 -7.332 -2.371 5.748 792 HD1 TYR 103 1HD TYR 103 -7.033 -4.219 4.301 793 HD2 TYR 103 2HD TYR 103 -9.849 -1.113 3.318 794 HE1 TYR 103 1HE TYR 103 -7.532 -5.377 2.201 795 HE2 TYR 103 2HE TYR 103 -10.300 -2.219 1.135 796 HH TYR 103 HH TYR 103 -10.257 -4.450 0.258 797 H LEU 104 H LEU 104 -8.350 -4.457 7.122 798 HA LEU 104 HA LEU 104 -9.920 -6.300 5.678 799 1HB LEU 104 1HB LEU 104 -8.233 -6.494 8.202 800 2HB LEU 104 2HB LEU 104 -9.300 -7.814 7.748 801 HG LEU 104 HG LEU 104 -8.256 -7.658 5.415 802 1HD1 LEU 104 1HD1 LEU 104 -5.941 -6.983 5.250 803 2HD1 LEU 104 2HD1 LEU 104 -6.952 -5.620 5.742 804 3HD1 LEU 104 3HD1 LEU 104 -5.979 -6.446 6.952 805 1HD2 LEU 104 1HD2 LEU 104 -6.550 -8.627 7.742 806 2HD2 LEU 104 2HD2 LEU 104 -7.892 -9.541 7.028 807 3HD2 LEU 104 3HD2 LEU 104 -6.443 -9.198 6.048 808 H SER 105 H SER 105 -10.501 -4.611 8.719 809 HA SER 105 HA SER 105 -12.925 -6.123 9.359 810 1HB SER 105 1HB SER 105 -11.648 -3.588 10.440 811 2HB SER 105 2HB SER 105 -13.268 -4.095 10.946 812 HG SER 105 HG SER 105 -12.455 -6.045 11.619 813 H GLY 106 H GLY 106 -12.233 -3.809 6.980 814 1HA GLY 106 1HA GLY 106 -13.627 -3.096 5.322 815 2HA GLY 106 2HA GLY 106 -15.033 -3.645 6.241 816 H GLN 107 H GLN 107 -13.033 -1.627 8.215 817 HA GLN 107 HA GLN 107 -15.231 0.317 8.256 818 1HB GLN 107 1HB GLN 107 -12.515 0.401 9.651 819 2HB GLN 107 2HB GLN 107 -13.833 1.552 9.878 820 1HG GLN 107 1HG GLN 107 -15.284 -0.436 10.572 821 2HG GLN 107 2HG GLN 107 -13.793 -1.386 10.642 822 1HE2 GLN 107 1HE2 GLN 107 -15.569 -0.801 12.926 823 2HE2 GLN 107 2HE2 GLN 107 -14.575 0.145 14.041 824 H LEU 108 H LEU 108 -11.845 0.344 7.321 825 HA LEU 108 HA LEU 108 -11.666 3.019 6.371 826 1HB LEU 108 1HB LEU 108 -9.989 0.658 6.647 827 2HB LEU 108 2HB LEU 108 -9.744 1.347 5.060 828 HG LEU 108 HG LEU 108 -9.162 3.497 6.023 829 1HD1 LEU 108 1HD1 LEU 108 -8.833 3.797 8.468 830 2HD1 LEU 108 2HD1 LEU 108 -10.535 3.606 8.084 831 3HD1 LEU 108 3HD1 LEU 108 -9.628 2.241 8.766 832 1HD2 LEU 108 1HD2 LEU 108 -7.086 2.846 7.188 833 2HD2 LEU 108 2HD2 LEU 108 -7.725 1.202 7.359 834 3HD2 LEU 108 3HD2 LEU 108 -7.421 1.879 5.741 835 H LYS 109 H LYS 109 -11.643 3.874 4.235 836 HA LYS 109 HA LYS 109 -12.871 2.182 2.136 837 1HB LYS 109 1HB LYS 109 -14.766 3.599 1.836 838 2HB LYS 109 2HB LYS 109 -14.741 3.031 3.490 839 1HG LYS 109 1HG LYS 109 -13.677 5.803 2.721 840 2HG LYS 109 2HG LYS 109 -15.378 5.488 2.981 841 1HD LYS 109 1HD LYS 109 -14.832 4.623 5.273 842 2HD LYS 109 2HD LYS 109 -13.167 5.204 5.056 843 1HE LYS 109 1HE LYS 109 -13.932 7.472 4.687 844 2HE LYS 109 2HE LYS 109 -15.618 6.951 4.636 845 1HZ LYS 109 1HZ LYS 109 -15.059 7.960 6.756 846 2HZ LYS 109 2HZ LYS 109 -15.498 6.401 6.970 847 3HZ LYS 109 3HZ LYS 109 -13.921 6.852 7.071 848 H ASP 110 H ASP 110 -13.239 3.318 0.084 849 HA ASP 110 HA ASP 110 -10.919 5.022 -0.584 850 1HB ASP 110 1HB ASP 110 -10.873 3.924 -2.671 851 2HB ASP 110 2HB ASP 110 -11.158 2.629 -1.516 852 H SER 111 H SER 111 -13.799 5.540 0.259 853 HA SER 111 HA SER 111 -15.623 6.697 -0.224 854 1HB SER 111 1HB SER 111 -14.936 9.099 -0.474 855 2HB SER 111 2HB SER 111 -14.236 8.127 0.855 856 HG SER 111 HG SER 111 -12.303 8.066 -0.144 857 H ASP 112 H ASP 112 -15.654 9.096 -2.195 858 HA ASP 112 HA ASP 112 -16.540 7.525 -4.524 859 1HB ASP 112 1HB ASP 112 -18.341 9.642 -3.365 860 2HB ASP 112 2HB ASP 112 -18.713 8.360 -4.505 861 H TYR 113 H TYR 113 -15.325 8.480 -6.005 862 HA TYR 113 HA TYR 113 -15.265 11.416 -6.178 863 1HB TYR 113 1HB TYR 113 -13.142 10.194 -5.128 864 2HB TYR 113 2HB TYR 113 -12.779 9.806 -6.794 865 HD1 TYR 113 1HD TYR 113 -14.244 13.152 -6.593 866 HD2 TYR 113 2HD TYR 113 -10.664 10.880 -5.839 867 HE1 TYR 113 1HE TYR 113 -12.952 15.243 -6.422 868 HE2 TYR 113 2HE TYR 113 -9.329 12.959 -5.801 869 HH TYR 113 HH TYR 113 -10.764 16.012 -5.412 870 H GLU 114 H GLU 114 -14.114 11.922 -8.454 871 HA GLU 114 HA GLU 114 -15.876 10.816 -10.431 872 1HB GLU 114 1HB GLU 114 -13.398 12.505 -10.965 873 2HB GLU 114 2HB GLU 114 -14.786 12.295 -12.005 874 1HG GLU 114 1HG GLU 114 -14.797 13.718 -9.301 875 2HG GLU 114 2HG GLU 114 -14.604 14.502 -10.861 876 H VAL 115 H VAL 115 -15.403 8.505 -10.449 877 HA VAL 115 HA VAL 115 -12.758 7.546 -11.127 878 HB VAL 115 HB VAL 115 -13.895 5.362 -11.158 879 1HG1 VAL 115 1HG1 VAL 115 -14.129 5.212 -8.773 880 2HG1 VAL 115 2HG1 VAL 115 -12.796 6.301 -9.166 881 3HG1 VAL 115 3HG1 VAL 115 -14.356 6.965 -8.629 882 1HG2 VAL 115 1HG2 VAL 115 -16.192 5.947 -11.781 883 2HG2 VAL 115 2HG2 VAL 115 -16.173 5.144 -10.206 884 3HG2 VAL 115 3HG2 VAL 115 -16.384 6.895 -10.305 885 H HIS 116 H HIS 116 -13.372 9.402 -13.021 886 HA HIS 116 HA HIS 116 -13.939 7.729 -15.429 887 1HB HIS 116 1HB HIS 116 -14.828 10.335 -14.925 888 2HB HIS 116 2HB HIS 116 -13.424 10.580 -15.960 889 HD1 HIS 116 1HD HIS 116 -13.554 8.871 -18.371 890 HD2 HIS 116 2HD HIS 116 -17.025 9.567 -16.016 891 HE1 HIS 116 1HE HIS 116 -15.571 8.163 -19.773 892 HE2 HIS 116 2HE HIS 116 -17.696 8.646 -18.342 893 H ASP 117 H ASP 117 -12.316 7.500 -16.957 894 HA ASP 117 HA ASP 117 -9.592 8.458 -16.493 895 1HB ASP 117 1HB ASP 117 -9.167 7.547 -18.680 896 2HB ASP 117 2HB ASP 117 -9.953 6.338 -17.668 897 H HIS 118 H HIS 118 -8.865 10.395 -17.287 898 HA HIS 118 HA HIS 118 -10.076 12.025 -19.187 899 1HB HIS 118 1HB HIS 118 -10.881 13.881 -17.764 900 2HB HIS 118 2HB HIS 118 -11.907 12.469 -17.671 901 HD1 HIS 118 1HD HIS 118 -10.070 11.001 -15.223 902 HD2 HIS 118 2HD HIS 118 -11.726 14.888 -15.471 903 HE1 HIS 118 1HE HIS 118 -10.476 11.766 -12.848 904 HE2 HIS 118 2HE HIS 118 -11.464 14.184 -13.009 905 H HIS 119 H HIS 119 -8.747 13.784 -19.638 906 HA HIS 119 HA HIS 119 -6.984 15.086 -19.783 907 1HB HIS 119 1HB HIS 119 -7.689 15.891 -17.498 908 2HB HIS 119 2HB HIS 119 -6.501 14.802 -16.795 909 HD1 HIS 119 1HD HIS 119 -4.106 15.867 -16.518 910 HD2 HIS 119 2HD HIS 119 -6.641 17.806 -19.294 911 HE1 HIS 119 1HE HIS 119 -2.774 17.854 -17.486 912 HE2 HIS 119 2HE HIS 119 -4.330 19.018 -19.207 913 H HIS 120 H HIS 120 -4.541 15.086 -19.733 914 HA HIS 120 HA HIS 120 -2.652 14.087 -20.414 915 1HB HIS 120 1HB HIS 120 -3.442 12.292 -18.167 916 2HB HIS 120 2HB HIS 120 -2.370 11.575 -19.313 917 HD1 HIS 120 1HD HIS 120 -0.082 13.237 -19.800 918 HD2 HIS 120 2HD HIS 120 -2.217 13.360 -16.183 919 HE1 HIS 120 1HE HIS 120 1.564 14.119 -18.003 920 HE2 HIS 120 2HE HIS 120 0.232 14.226 -15.801 921 H HIS 121 H HIS 121 -1.931 11.760 -21.440 922 HA HIS 121 HA HIS 121 -3.189 9.882 -22.688 923 1HB HIS 121 1HB HIS 121 -4.982 11.228 -23.671 924 2HB HIS 121 2HB HIS 121 -3.798 12.231 -24.520 925 HD1 HIS 121 1HD HIS 121 -3.331 11.308 -27.006 926 HD2 HIS 121 2HD HIS 121 -5.108 8.565 -24.307 927 HE1 HIS 121 1HE HIS 121 -3.958 9.231 -28.343 928 HE2 HIS 121 2HE HIS 121 -5.001 7.566 -26.735 929 H GLU 122 H GLU 122 -0.907 9.307 -22.380 930 HA GLU 122 HA GLU 122 0.635 9.551 -24.771 931 1HB GLU 122 1HB GLU 122 2.608 10.614 -23.749 932 2HB GLU 122 2HB GLU 122 1.280 11.731 -23.948 933 1HG GLU 122 1HG GLU 122 2.012 10.383 -21.315 934 2HG GLU 122 2HG GLU 122 2.550 11.990 -21.808 935 H HIS 123 H HIS 123 2.547 8.225 -24.657 936 HA HIS 123 HA HIS 123 2.397 6.005 -22.697 937 1HB HIS 123 1HB HIS 123 3.661 6.416 -25.421 938 2HB HIS 123 2HB HIS 123 4.212 5.138 -24.392 939 HD1 HIS 123 1HD HIS 123 0.495 6.193 -25.228 940 HD2 HIS 123 2HD HIS 123 3.191 2.917 -25.317 941 HE1 HIS 123 1HE HIS 123 -0.815 4.165 -26.064 942 HE2 HIS 123 2HE HIS 123 0.820 2.186 -26.116 943 H HIS 124 H HIS 124 4.797 5.206 -22.162 944 HA HIS 124 HA HIS 124 6.609 7.527 -21.799 945 1HB HIS 124 1HB HIS 124 7.853 6.259 -20.166 946 2HB HIS 124 2HB HIS 124 6.252 6.695 -19.593 947 HD1 HIS 124 1HD HIS 124 8.528 3.771 -19.979 948 HD2 HIS 124 2HD HIS 124 4.428 4.563 -19.316 949 HE1 HIS 124 1HE HIS 124 7.508 1.617 -18.999 950 HE2 HIS 124 2HE HIS 124 5.027 2.073 -18.608 Start of MODEL 20 1 1H MET 1 1H MET 1 -5.432 -9.764 -4.327 2 HA MET 1 HA MET 1 -4.084 -7.802 -4.649 3 1HB MET 1 1HB MET 1 -5.251 -6.343 -3.325 4 2HB MET 1 2HB MET 1 -6.278 -7.771 -3.319 5 1HG MET 1 1HG MET 1 -4.926 -8.280 -1.095 6 2HG MET 1 2HG MET 1 -4.576 -6.564 -1.155 7 1HE MET 1 1HE MET 1 -7.137 -9.380 -0.708 8 2HE MET 1 2HE MET 1 -8.691 -8.566 -0.470 9 3HE MET 1 3HE MET 1 -7.969 -8.631 -2.087 10 H ILE 2 H ILE 2 -2.831 -6.055 -3.479 11 HA ILE 2 HA ILE 2 -0.907 -6.909 -1.458 12 HB ILE 2 HB ILE 2 -0.069 -5.279 -3.853 13 1HG1 ILE 2 1HG1 ILE 2 0.436 -8.257 -3.464 14 2HG1 ILE 2 2HG1 ILE 2 -0.501 -7.500 -4.766 15 1HG2 ILE 2 1HG2 ILE 2 1.161 -5.121 -1.586 16 2HG2 ILE 2 2HG2 ILE 2 1.722 -6.742 -1.893 17 3HG2 ILE 2 3HG2 ILE 2 2.143 -5.435 -3.013 18 1HD1 ILE 2 1HD1 ILE 2 1.539 -7.969 -5.766 19 2HD1 ILE 2 2HD1 ILE 2 1.645 -6.250 -5.396 20 3HD1 ILE 2 3HD1 ILE 2 2.491 -7.436 -4.367 21 H ILE 3 H ILE 3 -0.523 -5.005 -0.181 22 HA ILE 3 HA ILE 3 -2.386 -2.706 -0.454 23 HB ILE 3 HB ILE 3 -1.375 -4.387 1.878 24 1HG1 ILE 3 1HG1 ILE 3 -4.267 -3.907 1.076 25 2HG1 ILE 3 2HG1 ILE 3 -3.274 -5.151 0.382 26 1HG2 ILE 3 1HG2 ILE 3 -3.412 -2.339 2.538 27 2HG2 ILE 3 2HG2 ILE 3 -2.022 -2.920 3.465 28 3HG2 ILE 3 3HG2 ILE 3 -1.799 -1.688 2.226 29 1HD1 ILE 3 1HD1 ILE 3 -4.594 -5.995 2.344 30 2HD1 ILE 3 2HD1 ILE 3 -2.840 -6.082 2.685 31 3HD1 ILE 3 3HD1 ILE 3 -3.831 -4.786 3.380 32 H ALA 4 H ALA 4 -1.130 -1.053 -0.923 33 HA ALA 4 HA ALA 4 1.637 -0.819 0.276 34 1HB ALA 4 1HB ALA 4 2.065 0.408 -1.508 35 2HB ALA 4 2HB ALA 4 0.341 0.672 -1.881 36 3HB ALA 4 3HB ALA 4 1.214 1.705 -0.712 37 H ILE 5 H ILE 5 2.230 0.556 1.870 38 HA ILE 5 HA ILE 5 0.322 2.528 2.900 39 HB ILE 5 HB ILE 5 1.770 0.529 4.665 40 1HG1 ILE 5 1HG1 ILE 5 -1.191 1.239 4.346 41 2HG1 ILE 5 2HG1 ILE 5 -0.414 -0.195 3.680 42 1HG2 ILE 5 1HG2 ILE 5 1.910 2.895 5.563 43 2HG2 ILE 5 2HG2 ILE 5 0.144 2.995 5.460 44 3HG2 ILE 5 3HG2 ILE 5 0.931 1.858 6.576 45 1HD1 ILE 5 1HD1 ILE 5 0.107 -1.019 5.924 46 2HD1 ILE 5 2HD1 ILE 5 -0.716 0.393 6.619 47 3HD1 ILE 5 3HD1 ILE 5 -1.632 -0.783 5.664 48 HA PRO 6 HA PRO 6 4.463 4.485 2.436 49 1HB PRO 6 1HB PRO 6 3.543 7.065 2.800 50 2HB PRO 6 2HB PRO 6 3.478 6.208 1.221 51 1HG PRO 6 1HG PRO 6 1.299 6.728 3.200 52 2HG PRO 6 2HG PRO 6 1.214 6.693 1.412 53 1HD PRO 6 1HD PRO 6 0.497 4.641 3.184 54 2HD PRO 6 2HD PRO 6 0.852 4.394 1.440 55 H VAL 7 H VAL 7 5.790 4.482 4.261 56 HA VAL 7 HA VAL 7 4.555 5.349 6.826 57 HB VAL 7 HB VAL 7 6.040 3.708 7.956 58 1HG1 VAL 7 1HG1 VAL 7 4.537 2.016 7.916 59 2HG1 VAL 7 2HG1 VAL 7 3.558 3.364 7.448 60 3HG1 VAL 7 3HG1 VAL 7 4.101 2.219 6.193 61 1HG2 VAL 7 1HG2 VAL 7 7.683 2.949 6.556 62 2HG2 VAL 7 2HG2 VAL 7 6.572 1.595 6.525 63 3HG2 VAL 7 3HG2 VAL 7 6.589 2.697 5.154 64 H SER 8 H SER 8 5.991 6.137 8.433 65 HA SER 8 HA SER 8 7.882 8.016 7.209 66 1HB SER 8 1HB SER 8 6.485 7.822 9.894 67 2HB SER 8 2HB SER 8 7.821 8.959 9.612 68 HG SER 8 HG SER 8 6.522 10.181 8.552 69 H GLU 9 H GLU 9 8.152 5.032 9.099 70 HA GLU 9 HA GLU 9 11.030 5.241 8.859 71 1HB GLU 9 1HB GLU 9 9.700 4.955 11.598 72 2HB GLU 9 2HB GLU 9 11.341 4.399 11.244 73 1HG GLU 9 1HG GLU 9 11.894 6.719 10.440 74 2HG GLU 9 2HG GLU 9 10.321 7.248 11.051 75 H ASN 10 H ASN 10 11.937 3.150 8.960 76 HA ASN 10 HA ASN 10 10.212 1.279 7.586 77 1HB ASN 10 1HB ASN 10 12.379 0.099 7.146 78 2HB ASN 10 2HB ASN 10 12.382 1.778 6.713 79 1HD2 ASN 10 1HD2 ASN 10 14.168 3.042 7.449 80 2HD2 ASN 10 2HD2 ASN 10 15.203 2.504 8.725 81 H ARG 11 H ARG 11 9.310 1.216 10.197 82 HA ARG 11 HA ARG 11 10.832 -0.760 11.783 83 1HB ARG 11 1HB ARG 11 8.286 0.748 12.492 84 2HB ARG 11 2HB ARG 11 9.322 -0.153 13.575 85 1HG ARG 11 1HG ARG 11 11.196 1.499 12.578 86 2HG ARG 11 2HG ARG 11 9.799 2.506 12.201 87 1HD ARG 11 1HD ARG 11 9.160 2.559 14.556 88 2HD ARG 11 2HD ARG 11 10.447 1.410 14.977 89 HE ARG 11 HE ARG 11 10.673 4.255 14.527 90 1HH1 ARG 11 2HH2 ARG 11 12.476 1.201 14.589 91 2HH1 ARG 11 1HH2 ARG 11 14.040 1.927 14.655 92 1HH2 ARG 11 2HH1 ARG 11 12.821 5.210 14.186 93 2HH2 ARG 11 1HH1 ARG 11 14.215 4.297 14.555 94 H GLY 12 H GLY 12 9.744 -2.029 9.433 95 1HA GLY 12 1HA GLY 12 8.452 -3.923 8.814 96 2HA GLY 12 2HA GLY 12 8.668 -4.385 10.517 97 H LYS 13 H LYS 13 6.646 -5.232 10.870 98 HA LYS 13 HA LYS 13 4.196 -4.050 10.208 99 1HB LYS 13 1HB LYS 13 3.355 -5.237 12.361 100 2HB LYS 13 2HB LYS 13 3.900 -6.124 10.961 101 1HG LYS 13 1HG LYS 13 4.927 -7.394 12.407 102 2HG LYS 13 2HG LYS 13 6.223 -6.225 12.374 103 1HD LYS 13 1HD LYS 13 3.985 -6.269 14.450 104 2HD LYS 13 2HD LYS 13 5.525 -7.121 14.601 105 1HE LYS 13 1HE LYS 13 6.712 -4.905 14.351 106 2HE LYS 13 2HE LYS 13 5.121 -4.121 14.449 107 1HZ LYS 13 1HZ LYS 13 6.179 -4.186 16.574 108 2HZ LYS 13 2HZ LYS 13 4.805 -5.053 16.608 109 3HZ LYS 13 3HZ LYS 13 6.282 -5.824 16.575 110 H ASP 14 H ASP 14 6.458 -2.845 12.610 111 HA ASP 14 HA ASP 14 4.439 -1.308 14.075 112 1HB ASP 14 1HB ASP 14 7.230 -2.168 14.447 113 2HB ASP 14 2HB ASP 14 7.056 -0.462 14.785 114 H SER 15 H SER 15 6.036 -0.911 11.138 115 HA SER 15 HA SER 15 6.930 1.710 10.986 116 1HB SER 15 1HB SER 15 5.407 0.278 8.861 117 2HB SER 15 2HB SER 15 6.503 1.676 8.713 118 HG SER 15 HG SER 15 7.053 -0.992 9.254 119 HA PRO 16 HA PRO 16 3.030 3.876 11.822 120 1HB PRO 16 1HB PRO 16 4.029 6.378 12.199 121 2HB PRO 16 2HB PRO 16 4.182 5.072 13.422 122 1HG PRO 16 1HG PRO 16 6.251 5.963 11.385 123 2HG PRO 16 2HG PRO 16 6.477 5.700 13.140 124 1HD PRO 16 1HD PRO 16 7.093 3.793 11.291 125 2HD PRO 16 2HD PRO 16 6.427 3.366 12.892 126 H ILE 17 H ILE 17 1.660 4.718 10.286 127 HA ILE 17 HA ILE 17 2.408 5.061 7.607 128 HB ILE 17 HB ILE 17 0.188 4.465 8.497 129 1HG1 ILE 17 1HG1 ILE 17 -0.082 6.852 6.649 130 2HG1 ILE 17 2HG1 ILE 17 0.631 5.319 6.128 131 1HG2 ILE 17 1HG2 ILE 17 0.109 6.256 10.270 132 2HG2 ILE 17 2HG2 ILE 17 -0.272 7.430 8.995 133 3HG2 ILE 17 3HG2 ILE 17 -1.346 6.037 9.294 134 1HD1 ILE 17 1HD1 ILE 17 -1.430 4.109 6.790 135 2HD1 ILE 17 2HD1 ILE 17 -2.197 5.667 7.181 136 3HD1 ILE 17 3HD1 ILE 17 -1.700 5.311 5.514 137 H SER 18 H SER 18 2.778 6.796 6.302 138 HA SER 18 HA SER 18 3.936 9.162 7.624 139 1HB SER 18 1HB SER 18 4.747 7.570 5.465 140 2HB SER 18 2HB SER 18 3.951 8.949 4.678 141 HG SER 18 HG SER 18 5.859 9.279 6.738 142 H GLU 19 H GLU 19 3.463 11.318 6.915 143 HA GLU 19 HA GLU 19 0.689 11.666 6.442 144 1HB GLU 19 1HB GLU 19 2.946 13.730 6.242 145 2HB GLU 19 2HB GLU 19 1.239 14.091 6.153 146 1HG GLU 19 1HG GLU 19 1.603 14.605 8.319 147 2HG GLU 19 2HG GLU 19 1.030 12.951 8.487 148 H HIS 20 H HIS 20 3.467 11.822 4.110 149 HA HIS 20 HA HIS 20 1.369 12.199 1.948 150 1HB HIS 20 1HB HIS 20 4.112 13.459 1.821 151 2HB HIS 20 2HB HIS 20 2.667 13.859 0.918 152 HD1 HIS 20 1HD HIS 20 4.743 15.072 3.597 153 HD2 HIS 20 2HD HIS 20 0.578 14.853 2.984 154 HE1 HIS 20 1HE HIS 20 3.723 16.831 5.104 155 HE2 HIS 20 2HE HIS 20 1.170 16.723 4.760 156 H PHE 21 H PHE 21 1.363 10.477 0.776 157 HA PHE 21 HA PHE 21 3.074 8.409 0.389 158 1HB PHE 21 1HB PHE 21 0.905 8.456 -0.645 159 2HB PHE 21 2HB PHE 21 1.327 9.881 -1.592 160 HD1 PHE 21 1HD PHE 21 2.271 6.261 -1.150 161 HD2 PHE 21 2HD PHE 21 2.107 9.659 -3.812 162 HE1 PHE 21 1HE PHE 21 3.095 4.858 -3.018 163 HE2 PHE 21 2HE PHE 21 2.814 8.163 -5.729 164 HZ PHE 21 HZ PHE 21 3.376 5.843 -5.290 165 H GLY 22 H GLY 22 3.264 11.441 -1.636 166 1HA GLY 22 1HA GLY 22 5.227 10.287 -3.265 167 2HA GLY 22 2HA GLY 22 4.774 11.980 -3.240 168 H ARG 23 H ARG 23 5.905 11.422 -0.113 169 HA ARG 23 HA ARG 23 8.704 11.036 -0.801 170 1HB ARG 23 1HB ARG 23 9.645 12.863 0.354 171 2HB ARG 23 2HB ARG 23 8.559 13.524 -0.843 172 1HG ARG 23 1HG ARG 23 7.458 14.720 0.716 173 2HG ARG 23 2HG ARG 23 7.110 13.280 1.661 174 1HD ARG 23 1HD ARG 23 9.502 13.469 2.605 175 2HD ARG 23 2HD ARG 23 9.577 15.064 1.843 176 HE ARG 23 HE ARG 23 7.264 14.490 3.570 177 1HH1 ARG 23 2HH2 ARG 23 10.600 15.697 3.723 178 2HH1 ARG 23 1HH2 ARG 23 10.396 16.438 5.254 179 1HH2 ARG 23 2HH1 ARG 23 7.077 15.265 5.686 180 2HH2 ARG 23 1HH1 ARG 23 8.423 16.016 6.414 181 H ALA 24 H ALA 24 6.733 9.352 0.219 182 HA ALA 24 HA ALA 24 6.931 9.169 3.115 183 1HB ALA 24 1HB ALA 24 5.111 8.160 1.770 184 2HB ALA 24 2HB ALA 24 6.294 7.050 1.038 185 3HB ALA 24 3HB ALA 24 5.988 6.970 2.784 186 HA PRO 25 HA PRO 25 11.166 7.940 2.494 187 1HB PRO 25 1HB PRO 25 11.836 6.955 4.994 188 2HB PRO 25 2HB PRO 25 11.790 8.659 4.536 189 1HG PRO 25 1HG PRO 25 9.634 7.098 5.891 190 2HG PRO 25 2HG PRO 25 10.255 8.735 6.279 191 1HD PRO 25 1HD PRO 25 7.978 8.434 4.865 192 2HD PRO 25 2HD PRO 25 9.162 9.698 4.428 193 H TYR 26 H TYR 26 8.612 5.739 3.368 194 HA TYR 26 HA TYR 26 10.036 3.465 2.148 195 1HB TYR 26 1HB TYR 26 8.778 3.605 4.902 196 2HB TYR 26 2HB TYR 26 9.371 2.123 4.160 197 HD1 TYR 26 1HD TYR 26 10.227 4.956 6.197 198 HD2 TYR 26 2HD TYR 26 11.840 1.960 3.537 199 HE1 TYR 26 1HE TYR 26 12.520 5.510 6.983 200 HE2 TYR 26 2HE TYR 26 14.136 2.549 4.312 201 HH TYR 26 HH TYR 26 15.323 4.524 5.315 202 H PHE 27 H PHE 27 8.592 1.958 1.318 203 HA PHE 27 HA PHE 27 5.636 2.520 1.562 204 1HB PHE 27 1HB PHE 27 6.978 1.421 -0.934 205 2HB PHE 27 2HB PHE 27 5.272 1.489 -0.659 206 HD1 PHE 27 1HD PHE 27 7.459 2.943 -2.666 207 HD2 PHE 27 2HD PHE 27 4.751 4.163 0.417 208 HE1 PHE 27 1HE PHE 27 7.335 5.150 -3.701 209 HE2 PHE 27 2HE PHE 27 4.676 6.421 -0.562 210 HZ PHE 27 HZ PHE 27 5.909 6.925 -2.662 211 H ALA 28 H ALA 28 5.008 0.909 3.021 212 HA ALA 28 HA ALA 28 6.219 -1.775 2.832 213 1HB ALA 28 1HB ALA 28 4.711 -2.250 4.762 214 2HB ALA 28 2HB ALA 28 5.780 -0.863 5.082 215 3HB ALA 28 3HB ALA 28 4.073 -0.596 4.664 216 H PHE 29 H PHE 29 5.482 -2.886 1.064 217 HA PHE 29 HA PHE 29 2.618 -2.792 0.356 218 1HB PHE 29 1HB PHE 29 5.095 -3.400 -1.141 219 2HB PHE 29 2HB PHE 29 3.749 -4.461 -1.454 220 HD1 PHE 29 1HD PHE 29 1.308 -3.012 -1.687 221 HD2 PHE 29 2HD PHE 29 5.276 -1.642 -2.754 222 HE1 PHE 29 1HE PHE 29 0.339 -1.338 -3.173 223 HE2 PHE 29 2HE PHE 29 4.259 -0.273 -4.519 224 HZ PHE 29 HZ PHE 29 1.753 -0.021 -4.666 225 H VAL 30 H VAL 30 1.762 -3.997 2.120 226 HA VAL 30 HA VAL 30 2.877 -6.689 2.681 227 HB VAL 30 HB VAL 30 0.405 -5.225 3.767 228 1HG1 VAL 30 1HG1 VAL 30 1.803 -7.731 4.812 229 2HG1 VAL 30 2HG1 VAL 30 0.489 -6.857 5.622 230 3HG1 VAL 30 3HG1 VAL 30 0.187 -7.660 4.082 231 1HG2 VAL 30 1HG2 VAL 30 3.211 -5.593 4.962 232 2HG2 VAL 30 2HG2 VAL 30 2.520 -4.066 4.449 233 3HG2 VAL 30 3HG2 VAL 30 1.814 -4.908 5.824 234 H LYS 31 H LYS 31 1.695 -8.573 2.203 235 HA LYS 31 HA LYS 31 0.161 -8.301 -0.319 236 1HB LYS 31 1HB LYS 31 1.626 -10.646 1.004 237 2HB LYS 31 2HB LYS 31 0.667 -10.754 -0.499 238 1HG LYS 31 1HG LYS 31 2.104 -8.696 -1.245 239 2HG LYS 31 2HG LYS 31 3.199 -9.155 0.031 240 1HD LYS 31 1HD LYS 31 3.608 -11.305 -1.015 241 2HD LYS 31 2HD LYS 31 2.264 -11.058 -2.156 242 1HE LYS 31 1HE LYS 31 3.820 -10.287 -3.601 243 2HE LYS 31 2HE LYS 31 3.659 -8.801 -2.668 244 1HZ LYS 31 1HZ LYS 31 5.569 -9.702 -1.287 245 2HZ LYS 31 2HZ LYS 31 5.757 -10.868 -2.424 246 3HZ LYS 31 3HZ LYS 31 5.957 -9.311 -2.846 247 H VAL 32 H VAL 32 -1.461 -10.498 -0.330 248 HA VAL 32 HA VAL 32 -2.609 -10.834 2.281 249 HB VAL 32 HB VAL 32 -4.312 -10.023 -0.098 250 1HG1 VAL 32 1HG1 VAL 32 -5.424 -11.788 1.359 251 2HG1 VAL 32 2HG1 VAL 32 -5.419 -10.587 2.670 252 3HG1 VAL 32 3HG1 VAL 32 -6.316 -10.274 1.186 253 1HG2 VAL 32 1HG2 VAL 32 -5.189 -8.164 1.308 254 2HG2 VAL 32 2HG2 VAL 32 -3.933 -8.533 2.502 255 3HG2 VAL 32 3HG2 VAL 32 -3.498 -7.993 0.857 256 H LYS 33 H LYS 33 -2.953 -12.986 2.535 257 HA LYS 33 HA LYS 33 -2.814 -14.782 0.141 258 1HB LYS 33 1HB LYS 33 -1.303 -15.321 2.239 259 2HB LYS 33 2HB LYS 33 -2.746 -15.735 3.044 260 1HG LYS 33 1HG LYS 33 -2.991 -17.024 0.499 261 2HG LYS 33 2HG LYS 33 -1.279 -17.129 0.904 262 1HD LYS 33 1HD LYS 33 -2.232 -19.097 1.705 263 2HD LYS 33 2HD LYS 33 -2.021 -18.113 3.158 264 1HE LYS 33 1HE LYS 33 -4.415 -17.486 3.093 265 2HE LYS 33 2HE LYS 33 -4.618 -18.297 1.537 266 1HZ LYS 33 1HZ LYS 33 -4.078 -20.398 2.650 267 2HZ LYS 33 2HZ LYS 33 -3.873 -19.640 4.083 268 3HZ LYS 33 3HZ LYS 33 -5.367 -19.667 3.392 269 H ASN 34 H ASN 34 -4.898 -14.839 -0.629 270 HA ASN 34 HA ASN 34 -7.099 -15.060 -0.729 271 1HB ASN 34 1HB ASN 34 -6.749 -17.223 0.309 272 2HB ASN 34 2HB ASN 34 -6.964 -16.523 1.914 273 1HD2 ASN 34 1HD2 ASN 34 -8.739 -18.096 2.136 274 2HD2 ASN 34 2HD2 ASN 34 -10.280 -17.790 1.394 275 H ASN 35 H ASN 35 -6.986 -14.701 2.776 276 HA ASN 35 HA ASN 35 -8.238 -12.017 2.816 277 1HB ASN 35 1HB ASN 35 -9.590 -13.028 4.714 278 2HB ASN 35 2HB ASN 35 -10.056 -13.520 3.074 279 1HD2 ASN 35 1HD2 ASN 35 -11.120 -15.425 3.958 280 2HD2 ASN 35 2HD2 ASN 35 -10.121 -16.792 4.427 281 H ALA 36 H ALA 36 -5.550 -13.671 3.710 282 HA ALA 36 HA ALA 36 -5.410 -12.485 6.392 283 1HB ALA 36 1HB ALA 36 -5.310 -15.000 6.403 284 2HB ALA 36 2HB ALA 36 -3.919 -14.943 5.272 285 3HB ALA 36 3HB ALA 36 -3.763 -14.318 6.929 286 H ILE 37 H ILE 37 -2.568 -12.330 6.763 287 HA ILE 37 HA ILE 37 -2.053 -10.142 5.040 288 HB ILE 37 HB ILE 37 -0.972 -11.344 7.497 289 1HG1 ILE 37 1HG1 ILE 37 -0.475 -8.914 7.983 290 2HG1 ILE 37 2HG1 ILE 37 -1.087 -8.515 6.376 291 1HG2 ILE 37 1HG2 ILE 37 1.128 -11.661 6.299 292 2HG2 ILE 37 2HG2 ILE 37 1.114 -9.949 5.796 293 3HG2 ILE 37 3HG2 ILE 37 1.251 -10.387 7.507 294 1HD1 ILE 37 1HD1 ILE 37 -2.744 -8.257 8.264 295 2HD1 ILE 37 2HD1 ILE 37 -3.309 -9.347 6.980 296 3HD1 ILE 37 3HD1 ILE 37 -2.668 -10.008 8.504 297 H ALA 38 H ALA 38 -1.151 -13.453 4.609 298 HA ALA 38 HA ALA 38 0.348 -14.546 3.341 299 1HB ALA 38 1HB ALA 38 0.022 -12.137 1.563 300 2HB ALA 38 2HB ALA 38 1.333 -13.293 1.253 301 3HB ALA 38 3HB ALA 38 -0.334 -13.825 1.217 302 H ASP 39 H ASP 39 1.646 -11.188 3.284 303 HA ASP 39 HA ASP 39 3.994 -11.933 4.768 304 1HB ASP 39 1HB ASP 39 4.234 -12.983 2.348 305 2HB ASP 39 2HB ASP 39 4.500 -11.321 1.848 306 H ILE 40 H ILE 40 5.363 -10.121 5.078 307 HA ILE 40 HA ILE 40 4.315 -7.448 4.479 308 HB ILE 40 HB ILE 40 6.773 -8.513 5.933 309 1HG1 ILE 40 1HG1 ILE 40 4.671 -8.974 7.170 310 2HG1 ILE 40 2HG1 ILE 40 5.788 -7.929 8.004 311 1HG2 ILE 40 1HG2 ILE 40 7.473 -6.375 5.238 312 2HG2 ILE 40 2HG2 ILE 40 5.887 -5.637 5.594 313 3HG2 ILE 40 3HG2 ILE 40 6.947 -6.169 6.908 314 1HD1 ILE 40 1HD1 ILE 40 3.555 -7.103 8.389 315 2HD1 ILE 40 2HD1 ILE 40 4.400 -5.929 7.386 316 3HD1 ILE 40 3HD1 ILE 40 3.208 -7.065 6.670 317 H SER 41 H SER 41 5.474 -5.977 3.109 318 HA SER 41 HA SER 41 8.209 -6.727 2.461 319 1HB SER 41 1HB SER 41 6.442 -5.254 0.465 320 2HB SER 41 2HB SER 41 8.189 -5.450 0.353 321 HG SER 41 HG SER 41 7.779 -7.760 0.355 322 H VAL 42 H VAL 42 9.637 -4.893 2.613 323 HA VAL 42 HA VAL 42 8.441 -2.325 3.296 324 HB VAL 42 HB VAL 42 8.754 -3.461 5.373 325 1HG1 VAL 42 1HG1 VAL 42 11.745 -3.598 4.934 326 2HG1 VAL 42 2HG1 VAL 42 10.854 -4.024 6.394 327 3HG1 VAL 42 3HG1 VAL 42 10.629 -4.975 4.918 328 1HG2 VAL 42 1HG2 VAL 42 9.981 -1.672 6.550 329 2HG2 VAL 42 2HG2 VAL 42 10.681 -1.134 5.006 330 3HG2 VAL 42 3HG2 VAL 42 8.932 -1.024 5.278 331 H GLU 43 H GLU 43 8.982 -2.184 1.074 332 HA GLU 43 HA GLU 43 11.759 -2.209 0.168 333 1HB GLU 43 1HB GLU 43 9.245 -1.174 -1.187 334 2HB GLU 43 2HB GLU 43 10.783 -1.484 -1.980 335 1HG GLU 43 1HG GLU 43 9.285 -3.729 -0.560 336 2HG GLU 43 2HG GLU 43 8.787 -3.171 -2.144 337 H GLU 44 H GLU 44 13.129 -0.411 0.059 338 HA GLU 44 HA GLU 44 12.271 2.094 1.294 339 1HB GLU 44 1HB GLU 44 14.882 1.325 -0.099 340 2HB GLU 44 2HB GLU 44 14.575 2.817 0.788 341 1HG GLU 44 1HG GLU 44 13.908 1.099 2.733 342 2HG GLU 44 2HG GLU 44 14.936 0.010 1.836 343 H ASN 45 H ASN 45 12.609 4.132 0.281 344 HA ASN 45 HA ASN 45 11.075 4.575 -1.943 345 1HB ASN 45 1HB ASN 45 11.494 6.894 -1.155 346 2HB ASN 45 2HB ASN 45 11.064 5.801 0.119 347 1HD2 ASN 45 1HD2 ASN 45 12.154 8.028 1.145 348 2HD2 ASN 45 2HD2 ASN 45 13.772 7.696 1.706 349 HA PRO 46 HA PRO 46 14.884 4.522 -4.518 350 1HB PRO 46 1HB PRO 46 13.813 4.167 -7.021 351 2HB PRO 46 2HB PRO 46 13.938 2.849 -5.815 352 1HG PRO 46 1HG PRO 46 11.516 4.557 -6.392 353 2HG PRO 46 2HG PRO 46 11.660 2.771 -6.265 354 1HD PRO 46 1HD PRO 46 10.821 4.285 -4.162 355 2HD PRO 46 2HD PRO 46 11.852 2.843 -3.950 356 H LEU 47 H LEU 47 12.164 6.708 -4.965 357 HA LEU 47 HA LEU 47 13.976 8.713 -6.277 358 1HB LEU 47 1HB LEU 47 11.148 8.138 -7.079 359 2HB LEU 47 2HB LEU 47 12.119 9.471 -7.681 360 HG LEU 47 HG LEU 47 13.499 6.887 -7.995 361 1HD1 LEU 47 1HD1 LEU 47 11.315 6.057 -8.074 362 2HD1 LEU 47 2HD1 LEU 47 10.898 7.211 -9.362 363 3HD1 LEU 47 3HD1 LEU 47 12.120 5.935 -9.649 364 1HD2 LEU 47 1HD2 LEU 47 14.277 8.865 -9.174 365 2HD2 LEU 47 2HD2 LEU 47 13.672 7.670 -10.357 366 3HD2 LEU 47 3HD2 LEU 47 12.690 9.089 -9.941 367 H ALA 48 H ALA 48 13.404 8.479 -3.513 368 HA ALA 48 HA ALA 48 11.025 9.619 -2.517 369 1HB ALA 48 1HB ALA 48 13.725 9.888 -1.155 370 2HB ALA 48 2HB ALA 48 12.140 9.444 -0.472 371 3HB ALA 48 3HB ALA 48 13.070 8.294 -1.454 372 H GLN 49 H GLN 49 14.117 11.103 -3.421 373 HA GLN 49 HA GLN 49 12.800 13.755 -3.431 374 1HB GLN 49 1HB GLN 49 14.099 13.231 -1.244 375 2HB GLN 49 2HB GLN 49 15.567 13.379 -2.217 376 1HG GLN 49 1HG GLN 49 14.994 15.691 -2.763 377 2HG GLN 49 2HG GLN 49 13.382 15.488 -2.063 378 1HE2 GLN 49 1HE2 GLN 49 13.528 17.198 -0.547 379 2HE2 GLN 49 2HE2 GLN 49 14.696 17.131 0.766 380 H ASP 50 H ASP 50 14.300 11.486 -5.291 381 HA ASP 50 HA ASP 50 16.245 13.352 -6.502 382 1HB ASP 50 1HB ASP 50 16.866 11.058 -5.373 383 2HB ASP 50 2HB ASP 50 16.237 10.335 -6.831 384 H HIS 51 H HIS 51 15.698 14.159 -8.422 385 HA HIS 51 HA HIS 51 14.608 14.664 -10.326 386 1HB HIS 51 1HB HIS 51 15.033 11.737 -10.664 387 2HB HIS 51 2HB HIS 51 13.706 12.397 -11.583 388 HD1 HIS 51 1HD HIS 51 15.228 11.757 -13.866 389 HD2 HIS 51 2HD HIS 51 16.725 14.730 -11.209 390 HE1 HIS 51 1HE HIS 51 16.998 13.083 -15.112 391 HE2 HIS 51 2HE HIS 51 17.987 14.757 -13.526 392 H VAL 52 H VAL 52 12.768 12.120 -8.666 393 HA VAL 52 HA VAL 52 10.682 11.835 -8.126 394 HB VAL 52 HB VAL 52 10.411 14.834 -7.876 395 1HG1 VAL 52 1HG1 VAL 52 9.117 12.498 -6.392 396 2HG1 VAL 52 2HG1 VAL 52 8.898 14.211 -6.010 397 3HG1 VAL 52 3HG1 VAL 52 8.301 13.599 -7.547 398 1HG2 VAL 52 1HG2 VAL 52 11.710 12.783 -6.030 399 2HG2 VAL 52 2HG2 VAL 52 12.462 14.234 -6.734 400 3HG2 VAL 52 3HG2 VAL 52 11.203 14.395 -5.513 401 H HIS 53 H HIS 53 9.809 14.853 -9.892 402 HA HIS 53 HA HIS 53 8.148 15.320 -11.298 403 1HB HIS 53 1HB HIS 53 10.019 13.507 -12.742 404 2HB HIS 53 2HB HIS 53 8.510 13.873 -13.553 405 HD1 HIS 53 1HD HIS 53 8.332 16.103 -14.800 406 HD2 HIS 53 2HD HIS 53 11.635 15.785 -12.171 407 HE1 HIS 53 1HE HIS 53 9.790 18.210 -15.139 408 HE2 HIS 53 2HE HIS 53 11.809 17.949 -13.630 409 H GLY 54 H GLY 54 8.206 11.797 -11.915 410 1HA GLY 54 1HA GLY 54 5.493 11.424 -10.971 411 2HA GLY 54 2HA GLY 54 5.618 11.366 -12.736 412 H ALA 55 H ALA 55 8.447 10.313 -10.939 413 HA ALA 55 HA ALA 55 8.013 7.622 -12.043 414 1HB ALA 55 1HB ALA 55 10.415 7.374 -11.748 415 2HB ALA 55 2HB ALA 55 10.033 8.833 -12.667 416 3HB ALA 55 3HB ALA 55 10.502 8.962 -10.950 417 H VAL 56 H VAL 56 7.943 9.161 -8.861 418 HA VAL 56 HA VAL 56 8.822 6.927 -7.297 419 HB VAL 56 HB VAL 56 7.003 9.296 -6.832 420 1HG1 VAL 56 1HG1 VAL 56 6.516 8.719 -4.506 421 2HG1 VAL 56 2HG1 VAL 56 5.617 7.764 -5.685 422 3HG1 VAL 56 3HG1 VAL 56 7.021 7.060 -4.859 423 1HG2 VAL 56 1HG2 VAL 56 8.538 9.829 -5.028 424 2HG2 VAL 56 2HG2 VAL 56 9.400 8.301 -5.290 425 3HG2 VAL 56 3HG2 VAL 56 9.404 9.563 -6.548 426 HA PRO 57 HA PRO 57 4.204 5.436 -7.635 427 1HB PRO 57 1HB PRO 57 3.014 6.593 -9.992 428 2HB PRO 57 2HB PRO 57 2.465 6.696 -8.273 429 1HG PRO 57 1HG PRO 57 3.402 8.845 -9.795 430 2HG PRO 57 2HG PRO 57 3.284 8.765 -8.010 431 1HD PRO 57 1HD PRO 57 5.655 8.344 -9.761 432 2HD PRO 57 2HD PRO 57 5.536 9.041 -8.139 433 H ASN 58 H ASN 58 6.122 6.214 -10.564 434 HA ASN 58 HA ASN 58 5.212 4.000 -12.132 435 1HB ASN 58 1HB ASN 58 6.465 6.055 -12.917 436 2HB ASN 58 2HB ASN 58 7.945 5.319 -12.287 437 1HD2 ASN 58 1HD2 ASN 58 7.031 2.516 -13.231 438 2HD2 ASN 58 2HD2 ASN 58 7.488 2.595 -14.909 439 H PHE 59 H PHE 59 7.705 4.312 -9.570 440 HA PHE 59 HA PHE 59 8.691 1.601 -9.837 441 1HB PHE 59 1HB PHE 59 10.118 2.924 -8.578 442 2HB PHE 59 2HB PHE 59 8.828 3.740 -7.725 443 HD1 PHE 59 1HD PHE 59 10.430 0.328 -8.025 444 HD2 PHE 59 2HD PHE 59 8.291 3.126 -5.525 445 HE1 PHE 59 1HE PHE 59 10.845 -1.114 -6.057 446 HE2 PHE 59 2HE PHE 59 8.741 1.631 -3.556 447 HZ PHE 59 HZ PHE 59 9.951 -0.436 -3.811 448 H VAL 60 H VAL 60 6.300 3.009 -7.417 449 HA VAL 60 HA VAL 60 5.705 0.374 -6.538 450 HB VAL 60 HB VAL 60 3.582 1.426 -5.623 451 1HG1 VAL 60 1HG1 VAL 60 6.167 2.849 -4.819 452 2HG1 VAL 60 2HG1 VAL 60 4.771 2.514 -3.792 453 3HG1 VAL 60 3HG1 VAL 60 5.815 1.185 -4.330 454 1HG2 VAL 60 1HG2 VAL 60 3.349 3.722 -5.463 455 2HG2 VAL 60 2HG2 VAL 60 4.892 4.027 -6.311 456 3HG2 VAL 60 3HG2 VAL 60 3.467 3.342 -7.182 457 H LYS 61 H LYS 61 4.382 2.027 -9.341 458 HA LYS 61 HA LYS 61 2.266 0.093 -9.740 459 1HB LYS 61 1HB LYS 61 3.497 2.281 -11.402 460 2HB LYS 61 2HB LYS 61 2.863 0.916 -12.288 461 1HG LYS 61 1HG LYS 61 0.751 1.214 -10.729 462 2HG LYS 61 2HG LYS 61 1.259 2.865 -10.580 463 1HD LYS 61 1HD LYS 61 0.657 1.309 -13.116 464 2HD LYS 61 2HD LYS 61 -0.314 2.552 -12.367 465 1HE LYS 61 1HE LYS 61 0.667 4.126 -13.592 466 2HE LYS 61 2HE LYS 61 2.218 3.768 -12.816 467 1HZ LYS 61 1HZ LYS 61 1.184 2.234 -15.135 468 2HZ LYS 61 2HZ LYS 61 2.242 3.501 -15.260 469 3HZ LYS 61 3HZ LYS 61 2.692 2.175 -14.469 470 H GLU 62 H GLU 62 5.756 -0.227 -10.221 471 HA GLU 62 HA GLU 62 5.295 -2.537 -11.937 472 1HB GLU 62 1HB GLU 62 7.532 -2.878 -12.067 473 2HB GLU 62 2HB GLU 62 7.363 -1.128 -12.125 474 1HG GLU 62 1HG GLU 62 8.482 -0.811 -10.155 475 2HG GLU 62 2HG GLU 62 8.001 -2.362 -9.443 476 H LYS 63 H LYS 63 5.197 -1.853 -8.555 477 HA LYS 63 HA LYS 63 6.019 -4.502 -7.667 478 1HB LYS 63 1HB LYS 63 4.791 -2.160 -6.146 479 2HB LYS 63 2HB LYS 63 5.570 -3.550 -5.418 480 1HG LYS 63 1HG LYS 63 6.990 -1.556 -7.240 481 2HG LYS 63 2HG LYS 63 6.996 -1.467 -5.492 482 1HD LYS 63 1HD LYS 63 7.967 -3.949 -6.973 483 2HD LYS 63 2HD LYS 63 9.005 -2.565 -6.681 484 1HE LYS 63 1HE LYS 63 9.020 -2.851 -4.358 485 2HE LYS 63 2HE LYS 63 7.421 -3.623 -4.345 486 1HZ LYS 63 1HZ LYS 63 8.428 -5.575 -5.324 487 2HZ LYS 63 2HZ LYS 63 9.940 -4.878 -5.172 488 3HZ LYS 63 3HZ LYS 63 9.016 -5.217 -3.840 489 H GLY 64 H GLY 64 3.897 -4.551 -9.415 490 1HA GLY 64 1HA GLY 64 1.929 -5.666 -9.848 491 2HA GLY 64 2HA GLY 64 2.470 -6.677 -8.511 492 H ALA 65 H ALA 65 1.537 -3.331 -7.726 493 HA ALA 65 HA ALA 65 0.038 -4.363 -5.681 494 1HB ALA 65 1HB ALA 65 -0.387 -2.046 -5.117 495 2HB ALA 65 2HB ALA 65 1.257 -2.232 -5.760 496 3HB ALA 65 3HB ALA 65 -0.023 -1.533 -6.788 497 H GLU 66 H GLU 66 -2.161 -3.559 -4.972 498 HA GLU 66 HA GLU 66 -4.179 -3.430 -7.114 499 1HB GLU 66 1HB GLU 66 -3.881 -5.674 -5.169 500 2HB GLU 66 2HB GLU 66 -5.499 -5.026 -5.417 501 1HG GLU 66 1HG GLU 66 -5.146 -5.265 -7.916 502 2HG GLU 66 2HG GLU 66 -3.677 -6.198 -7.542 503 H LEU 67 H LEU 67 -3.255 -2.927 -3.652 504 HA LEU 67 HA LEU 67 -5.326 -0.853 -3.543 505 1HB LEU 67 1HB LEU 67 -5.960 -3.007 -2.268 506 2HB LEU 67 2HB LEU 67 -4.550 -2.715 -1.262 507 HG LEU 67 HG LEU 67 -5.621 -0.406 -0.699 508 1HD1 LEU 67 1HD1 LEU 67 -8.037 -0.242 -0.996 509 2HD1 LEU 67 2HD1 LEU 67 -7.245 -0.372 -2.567 510 3HD1 LEU 67 3HD1 LEU 67 -8.061 -1.789 -1.860 511 1HD2 LEU 67 1HD2 LEU 67 -5.584 -2.164 0.925 512 2HD2 LEU 67 2HD2 LEU 67 -7.196 -1.452 0.931 513 3HD2 LEU 67 3HD2 LEU 67 -6.916 -3.010 0.115 514 H VAL 68 H VAL 68 -4.723 0.931 -2.242 515 HA VAL 68 HA VAL 68 -2.122 0.899 -0.863 516 HB VAL 68 HB VAL 68 -3.094 3.267 -2.535 517 1HG1 VAL 68 1HG1 VAL 68 -1.058 4.289 -2.245 518 2HG1 VAL 68 2HG1 VAL 68 -1.198 3.423 -0.699 519 3HG1 VAL 68 3HG1 VAL 68 -0.194 2.772 -2.027 520 1HG2 VAL 68 1HG2 VAL 68 -1.461 2.770 -4.326 521 2HG2 VAL 68 2HG2 VAL 68 -1.185 1.167 -3.612 522 3HG2 VAL 68 3HG2 VAL 68 -2.781 1.624 -4.241 523 H ILE 69 H ILE 69 -2.261 2.204 1.063 524 HA ILE 69 HA ILE 69 -4.827 3.570 1.655 525 HB ILE 69 HB ILE 69 -3.261 1.593 3.349 526 1HG1 ILE 69 1HG1 ILE 69 -6.255 1.557 2.858 527 2HG1 ILE 69 2HG1 ILE 69 -5.179 0.816 1.702 528 1HG2 ILE 69 1HG2 ILE 69 -5.375 3.632 4.147 529 2HG2 ILE 69 2HG2 ILE 69 -5.093 2.161 5.066 530 3HG2 ILE 69 3HG2 ILE 69 -3.781 3.306 4.909 531 1HD1 ILE 69 1HD1 ILE 69 -5.868 -0.928 3.174 532 2HD1 ILE 69 2HD1 ILE 69 -4.191 -0.551 3.627 533 3HD1 ILE 69 3HD1 ILE 69 -5.528 0.029 4.620 534 H VAL 70 H VAL 70 -4.302 5.642 1.945 535 HA VAL 70 HA VAL 70 -1.589 6.393 2.961 536 HB VAL 70 HB VAL 70 -1.445 8.020 1.184 537 1HG1 VAL 70 1HG1 VAL 70 -2.427 5.478 -0.163 538 2HG1 VAL 70 2HG1 VAL 70 -1.209 6.624 -0.741 539 3HG1 VAL 70 3HG1 VAL 70 -0.859 5.603 0.659 540 1HG2 VAL 70 1HG2 VAL 70 -3.497 8.931 0.686 541 2HG2 VAL 70 2HG2 VAL 70 -3.400 7.787 -0.661 542 3HG2 VAL 70 3HG2 VAL 70 -4.364 7.408 0.755 543 H ARG 71 H ARG 71 -1.465 8.839 3.556 544 HA ARG 71 HA ARG 71 -3.929 9.491 5.110 545 1HB ARG 71 1HB ARG 71 -1.786 8.833 6.294 546 2HB ARG 71 2HB ARG 71 -1.106 10.384 5.769 547 1HG ARG 71 1HG ARG 71 -2.838 11.611 6.935 548 2HG ARG 71 2HG ARG 71 -3.788 10.186 7.148 549 1HD ARG 71 1HD ARG 71 -2.031 9.231 8.629 550 2HD ARG 71 2HD ARG 71 -1.217 10.784 8.669 551 HE ARG 71 HE ARG 71 -3.702 10.012 9.948 552 1HH1 ARG 71 2HH2 ARG 71 -2.179 12.922 8.481 553 2HH1 ARG 71 1HH2 ARG 71 -3.365 13.973 9.178 554 1HH2 ARG 71 2HH1 ARG 71 -5.143 11.562 10.952 555 2HH2 ARG 71 1HH1 ARG 71 -5.175 13.124 10.191 556 H GLY 72 H GLY 72 -1.294 11.104 3.428 557 1HA GLY 72 1HA GLY 72 -3.058 13.405 2.649 558 2HA GLY 72 2HA GLY 72 -1.496 13.593 3.423 559 H ILE 73 H ILE 73 -2.432 11.325 0.917 560 HA ILE 73 HA ILE 73 -0.278 11.829 -0.845 561 HB ILE 73 HB ILE 73 -1.714 9.783 -0.705 562 1HG1 ILE 73 1HG1 ILE 73 -1.960 10.668 -3.569 563 2HG1 ILE 73 2HG1 ILE 73 -0.365 10.472 -2.850 564 1HG2 ILE 73 1HG2 ILE 73 -3.982 10.858 -0.569 565 2HG2 ILE 73 2HG2 ILE 73 -3.820 11.385 -2.255 566 3HG2 ILE 73 3HG2 ILE 73 -3.916 9.675 -1.891 567 1HD1 ILE 73 1HD1 ILE 73 -0.858 8.146 -2.276 568 2HD1 ILE 73 2HD1 ILE 73 -2.517 8.307 -2.887 569 3HD1 ILE 73 3HD1 ILE 73 -1.156 8.413 -3.988 570 H GLY 74 H GLY 74 -0.667 12.627 -3.249 571 1HA GLY 74 1HA GLY 74 -2.540 14.936 -3.371 572 2HA GLY 74 2HA GLY 74 -0.924 14.939 -4.093 573 H ARG 75 H ARG 75 -3.327 15.323 -5.528 574 HA ARG 75 HA ARG 75 -4.571 13.183 -6.704 575 1HB ARG 75 1HB ARG 75 -4.673 15.899 -6.910 576 2HB ARG 75 2HB ARG 75 -3.992 15.532 -8.484 577 1HG ARG 75 1HG ARG 75 -6.600 14.427 -7.327 578 2HG ARG 75 2HG ARG 75 -6.406 15.825 -8.379 579 1HD ARG 75 1HD ARG 75 -5.336 14.112 -10.059 580 2HD ARG 75 2HD ARG 75 -6.262 12.933 -9.119 581 HE ARG 75 HE ARG 75 -8.211 14.674 -9.476 582 1HH1 ARG 75 2HH2 ARG 75 -6.188 13.463 -11.998 583 2HH1 ARG 75 1HH2 ARG 75 -6.774 14.555 -13.258 584 1HH2 ARG 75 2HH1 ARG 75 -9.308 15.675 -11.035 585 2HH2 ARG 75 1HH1 ARG 75 -8.848 15.746 -12.698 586 H ARG 76 H ARG 76 -1.364 14.403 -7.576 587 HA ARG 76 HA ARG 76 -1.040 13.191 -10.116 588 1HB ARG 76 1HB ARG 76 0.595 14.768 -8.964 589 2HB ARG 76 2HB ARG 76 0.973 13.479 -7.826 590 1HG ARG 76 1HG ARG 76 2.743 13.611 -9.363 591 2HG ARG 76 2HG ARG 76 1.910 12.108 -9.728 592 1HD ARG 76 1HD ARG 76 1.127 12.912 -11.781 593 2HD ARG 76 2HD ARG 76 1.061 14.584 -11.193 594 HE ARG 76 HE ARG 76 3.786 13.725 -11.312 595 1HH1 ARG 76 2HH2 ARG 76 1.091 14.975 -13.267 596 2HH1 ARG 76 1HH2 ARG 76 2.096 15.748 -14.424 597 1HH2 ARG 76 2HH1 ARG 76 5.105 14.857 -12.728 598 2HH2 ARG 76 1HH1 ARG 76 4.465 15.675 -14.132 599 H ALA 77 H ALA 77 -0.718 11.739 -6.856 600 HA ALA 77 HA ALA 77 0.266 9.260 -8.064 601 1HB ALA 77 1HB ALA 77 -0.363 10.106 -5.239 602 2HB ALA 77 2HB ALA 77 0.279 8.499 -5.709 603 3HB ALA 77 3HB ALA 77 1.226 9.976 -6.009 604 H ILE 78 H ILE 78 -2.975 10.483 -6.832 605 HA ILE 78 HA ILE 78 -4.306 8.026 -6.952 606 HB ILE 78 HB ILE 78 -5.001 10.912 -7.516 607 1HG1 ILE 78 1HG1 ILE 78 -6.411 10.811 -5.714 608 2HG1 ILE 78 2HG1 ILE 78 -6.454 9.042 -5.639 609 1HG2 ILE 78 1HG2 ILE 78 -6.367 9.840 -9.171 610 2HG2 ILE 78 2HG2 ILE 78 -6.902 8.594 -8.024 611 3HG2 ILE 78 3HG2 ILE 78 -7.399 10.290 -7.831 612 1HD1 ILE 78 1HD1 ILE 78 -4.171 9.070 -4.693 613 2HD1 ILE 78 2HD1 ILE 78 -4.164 10.852 -4.807 614 3HD1 ILE 78 3HD1 ILE 78 -5.329 10.025 -3.745 615 H ALA 79 H ALA 79 -3.368 10.369 -9.622 616 HA ALA 79 HA ALA 79 -4.506 8.842 -11.684 617 1HB ALA 79 1HB ALA 79 -3.863 11.227 -11.822 618 2HB ALA 79 2HB ALA 79 -2.146 10.741 -11.874 619 3HB ALA 79 3HB ALA 79 -3.249 10.261 -13.177 620 H ALA 80 H ALA 80 -1.667 7.981 -9.872 621 HA ALA 80 HA ALA 80 -0.384 6.470 -12.027 622 1HB ALA 80 1HB ALA 80 0.963 5.539 -10.242 623 2HB ALA 80 2HB ALA 80 0.912 7.335 -10.068 624 3HB ALA 80 3HB ALA 80 -0.021 6.285 -8.986 625 H PHE 81 H PHE 81 -2.087 5.530 -8.906 626 HA PHE 81 HA PHE 81 -2.377 2.929 -9.439 627 1HB PHE 81 1HB PHE 81 -4.149 4.853 -7.885 628 2HB PHE 81 2HB PHE 81 -3.870 3.172 -7.523 629 HD1 PHE 81 1HD PHE 81 -0.768 3.121 -7.843 630 HD2 PHE 81 2HD PHE 81 -3.446 5.847 -5.883 631 HE1 PHE 81 1HE PHE 81 1.002 3.695 -6.255 632 HE2 PHE 81 2HE PHE 81 -1.704 6.311 -4.188 633 HZ PHE 81 HZ PHE 81 0.547 5.286 -4.391 634 H GLU 82 H GLU 82 -4.540 5.692 -10.338 635 HA GLU 82 HA GLU 82 -6.618 4.203 -11.527 636 1HB GLU 82 1HB GLU 82 -5.382 6.893 -12.180 637 2HB GLU 82 2HB GLU 82 -6.794 6.284 -13.001 638 1HG GLU 82 1HG GLU 82 -8.029 6.203 -10.784 639 2HG GLU 82 2HG GLU 82 -6.642 7.000 -10.060 640 H ALA 83 H ALA 83 -3.241 4.472 -12.701 641 HA ALA 83 HA ALA 83 -3.963 3.958 -15.487 642 1HB ALA 83 1HB ALA 83 -1.605 3.671 -15.829 643 2HB ALA 83 2HB ALA 83 -1.820 5.082 -14.765 644 3HB ALA 83 3HB ALA 83 -1.311 3.504 -14.106 645 H MET 84 H MET 84 -3.790 2.075 -12.611 646 HA MET 84 HA MET 84 -4.229 -0.382 -14.273 647 1HB MET 84 1HB MET 84 -3.266 -1.537 -12.052 648 2HB MET 84 2HB MET 84 -2.299 -1.105 -13.470 649 1HG MET 84 1HG MET 84 -1.493 0.847 -12.276 650 2HG MET 84 2HG MET 84 -2.572 0.546 -10.950 651 1HE MET 84 1HE MET 84 0.517 -1.081 -12.975 652 2HE MET 84 2HE MET 84 0.859 -2.481 -11.932 653 3HE MET 84 3HE MET 84 -0.647 -2.432 -12.851 654 H GLY 85 H GLY 85 -6.000 1.706 -12.516 655 1HA GLY 85 1HA GLY 85 -8.041 1.386 -11.430 656 2HA GLY 85 2HA GLY 85 -7.960 -0.316 -11.903 657 H VAL 86 H VAL 86 -5.339 1.158 -10.105 658 HA VAL 86 HA VAL 86 -5.708 -0.792 -7.950 659 HB VAL 86 HB VAL 86 -3.490 1.192 -8.784 660 1HG1 VAL 86 1HG1 VAL 86 -3.657 -0.396 -6.137 661 2HG1 VAL 86 2HG1 VAL 86 -2.200 0.405 -6.714 662 3HG1 VAL 86 3HG1 VAL 86 -3.621 1.358 -6.269 663 1HG2 VAL 86 1HG2 VAL 86 -3.750 -1.808 -8.277 664 2HG2 VAL 86 2HG2 VAL 86 -3.629 -1.017 -9.828 665 3HG2 VAL 86 3HG2 VAL 86 -2.253 -1.006 -8.701 666 H LYS 87 H LYS 87 -6.982 -0.389 -6.266 667 HA LYS 87 HA LYS 87 -8.227 2.201 -6.098 668 1HB LYS 87 1HB LYS 87 -9.605 0.314 -5.659 669 2HB LYS 87 2HB LYS 87 -8.505 -0.322 -4.424 670 1HG LYS 87 1HG LYS 87 -9.003 1.470 -2.916 671 2HG LYS 87 2HG LYS 87 -9.743 2.429 -4.206 672 1HD LYS 87 1HD LYS 87 -11.687 1.059 -4.269 673 2HD LYS 87 2HD LYS 87 -10.928 -0.185 -3.242 674 1HE LYS 87 1HE LYS 87 -10.765 1.449 -1.394 675 2HE LYS 87 2HE LYS 87 -11.568 2.686 -2.370 676 1HZ LYS 87 1HZ LYS 87 -13.573 1.489 -2.237 677 2HZ LYS 87 2HZ LYS 87 -12.852 0.083 -1.853 678 3HZ LYS 87 3HZ LYS 87 -12.948 1.241 -0.730 679 H VAL 88 H VAL 88 -7.932 3.748 -4.518 680 HA VAL 88 HA VAL 88 -5.544 3.453 -2.780 681 HB VAL 88 HB VAL 88 -4.744 4.515 -4.660 682 1HG1 VAL 88 1HG1 VAL 88 -5.594 6.660 -5.631 683 2HG1 VAL 88 2HG1 VAL 88 -6.616 5.279 -5.932 684 3HG1 VAL 88 3HG1 VAL 88 -7.081 6.454 -4.687 685 1HG2 VAL 88 1HG2 VAL 88 -3.979 5.437 -2.555 686 2HG2 VAL 88 2HG2 VAL 88 -4.032 6.712 -3.786 687 3HG2 VAL 88 3HG2 VAL 88 -5.295 6.622 -2.549 688 H ILE 89 H ILE 89 -6.519 3.234 -0.920 689 HA ILE 89 HA ILE 89 -8.870 4.752 -0.165 690 HB ILE 89 HB ILE 89 -7.206 2.615 1.122 691 1HG1 ILE 89 1HG1 ILE 89 -10.162 2.947 0.381 692 2HG1 ILE 89 2HG1 ILE 89 -8.941 2.136 -0.603 693 1HG2 ILE 89 1HG2 ILE 89 -9.370 4.274 2.484 694 2HG2 ILE 89 2HG2 ILE 89 -8.735 2.736 3.112 695 3HG2 ILE 89 3HG2 ILE 89 -7.684 4.138 2.996 696 1HD1 ILE 89 1HD1 ILE 89 -10.160 0.447 0.448 697 2HD1 ILE 89 2HD1 ILE 89 -8.590 0.510 1.278 698 3HD1 ILE 89 3HD1 ILE 89 -10.047 1.208 2.046 699 H LYS 90 H LYS 90 -8.843 6.445 1.442 700 HA LYS 90 HA LYS 90 -6.221 7.669 2.044 701 1HB LYS 90 1HB LYS 90 -8.739 8.839 0.825 702 2HB LYS 90 2HB LYS 90 -7.644 9.900 1.654 703 1HG LYS 90 1HG LYS 90 -6.695 10.186 -0.338 704 2HG LYS 90 2HG LYS 90 -5.921 8.652 0.033 705 1HD LYS 90 1HD LYS 90 -6.714 8.241 -2.099 706 2HD LYS 90 2HD LYS 90 -7.994 7.575 -1.086 707 1HE LYS 90 1HE LYS 90 -9.311 9.643 -1.388 708 2HE LYS 90 2HE LYS 90 -8.028 10.326 -2.348 709 1HZ LYS 90 1HZ LYS 90 -9.782 9.349 -3.746 710 2HZ LYS 90 2HZ LYS 90 -8.453 8.413 -3.953 711 3HZ LYS 90 3HZ LYS 90 -9.679 7.911 -3.010 712 H GLY 91 H GLY 91 -6.608 9.505 3.767 713 1HA GLY 91 1HA GLY 91 -7.108 9.913 5.957 714 2HA GLY 91 2HA GLY 91 -8.736 9.368 5.505 715 H ALA 92 H ALA 92 -5.577 7.726 5.906 716 HA ALA 92 HA ALA 92 -6.806 6.094 8.103 717 1HB ALA 92 1HB ALA 92 -5.157 4.355 7.592 718 2HB ALA 92 2HB ALA 92 -6.183 4.688 6.177 719 3HB ALA 92 3HB ALA 92 -4.517 5.325 6.248 720 H SER 93 H SER 93 -5.138 5.427 9.793 721 HA SER 93 HA SER 93 -2.861 7.216 10.171 722 1HB SER 93 1HB SER 93 -3.748 7.679 12.507 723 2HB SER 93 2HB SER 93 -4.512 8.531 11.149 724 HG SER 93 HG SER 93 -5.530 6.258 12.544 725 H GLY 94 H GLY 94 -1.511 6.316 11.995 726 1HA GLY 94 1HA GLY 94 -1.104 4.708 13.703 727 2HA GLY 94 2HA GLY 94 -2.379 3.673 13.065 728 H THR 95 H THR 95 -0.733 1.891 13.360 729 HA THR 95 HA THR 95 1.652 2.098 11.661 730 HB THR 95 HB THR 95 2.133 -0.200 12.715 731 HG1 THR 95 1HG THR 95 0.340 0.442 14.740 732 1HG2 THR 95 1HG2 THR 95 1.741 2.082 14.674 733 2HG2 THR 95 2HG2 THR 95 2.911 0.733 14.782 734 3HG2 THR 95 3HG2 THR 95 3.078 1.963 13.519 735 H VAL 96 H VAL 96 2.283 0.180 10.346 736 HA VAL 96 HA VAL 96 0.517 -0.322 8.279 737 HB VAL 96 HB VAL 96 2.981 -1.766 9.320 738 1HG1 VAL 96 1HG1 VAL 96 1.787 -3.588 8.197 739 2HG1 VAL 96 2HG1 VAL 96 1.517 -2.566 6.771 740 3HG1 VAL 96 3HG1 VAL 96 3.161 -3.062 7.225 741 1HG2 VAL 96 1HG2 VAL 96 4.032 -0.775 7.373 742 2HG2 VAL 96 2HG2 VAL 96 2.460 -0.227 6.752 743 3HG2 VAL 96 3HG2 VAL 96 3.108 0.470 8.240 744 H GLU 97 H GLU 97 1.266 -2.573 11.023 745 HA GLU 97 HA GLU 97 -0.463 -4.602 10.164 746 1HB GLU 97 1HB GLU 97 -0.343 -5.432 12.471 747 2HB GLU 97 2HB GLU 97 1.229 -4.979 11.814 748 1HG GLU 97 1HG GLU 97 1.312 -2.958 13.143 749 2HG GLU 97 2HG GLU 97 -0.376 -3.102 13.593 750 H GLU 98 H GLU 98 -1.264 -1.578 11.744 751 HA GLU 98 HA GLU 98 -3.826 -2.462 12.864 752 1HB GLU 98 1HB GLU 98 -2.240 -0.813 13.998 753 2HB GLU 98 2HB GLU 98 -2.627 0.342 12.724 754 1HG GLU 98 1HG GLU 98 -5.103 0.033 13.389 755 2HG GLU 98 2HG GLU 98 -4.521 -0.890 14.768 756 H VAL 99 H VAL 99 -2.602 -0.076 10.432 757 HA VAL 99 HA VAL 99 -5.000 0.705 9.294 758 HB VAL 99 HB VAL 99 -2.172 0.324 8.234 759 1HG1 VAL 99 1HG1 VAL 99 -3.668 0.419 6.286 760 2HG1 VAL 99 2HG1 VAL 99 -4.404 1.881 6.993 761 3HG1 VAL 99 3HG1 VAL 99 -2.709 1.900 6.442 762 1HG2 VAL 99 1HG2 VAL 99 -1.901 2.694 8.593 763 2HG2 VAL 99 2HG2 VAL 99 -3.630 2.901 8.931 764 3HG2 VAL 99 3HG2 VAL 99 -2.591 2.059 10.089 765 H VAL 100 H VAL 100 -2.979 -2.143 8.538 766 HA VAL 100 HA VAL 100 -4.519 -3.126 6.337 767 HB VAL 100 HB VAL 100 -2.687 -4.510 8.340 768 1HG1 VAL 100 1HG1 VAL 100 -3.916 -5.685 5.804 769 2HG1 VAL 100 2HG1 VAL 100 -2.575 -6.401 6.716 770 3HG1 VAL 100 3HG1 VAL 100 -4.167 -6.259 7.467 771 1HG2 VAL 100 1HG2 VAL 100 -1.061 -4.500 6.548 772 2HG2 VAL 100 2HG2 VAL 100 -2.268 -3.934 5.377 773 3HG2 VAL 100 3HG2 VAL 100 -1.693 -2.859 6.654 774 H ASN 101 H ASN 101 -4.783 -3.813 9.900 775 HA ASN 101 HA ASN 101 -6.997 -5.668 9.519 776 1HB ASN 101 1HB ASN 101 -5.764 -5.815 11.612 777 2HB ASN 101 2HB ASN 101 -5.958 -4.090 11.919 778 1HD2 ASN 101 1HD2 ASN 101 -7.709 -7.252 12.027 779 2HD2 ASN 101 2HD2 ASN 101 -8.967 -6.573 13.048 780 H GLN 102 H GLN 102 -6.858 -2.132 10.143 781 HA GLN 102 HA GLN 102 -9.624 -1.760 10.612 782 1HB GLN 102 1HB GLN 102 -7.594 0.114 9.353 783 2HB GLN 102 2HB GLN 102 -9.183 0.597 9.927 784 1HG GLN 102 1HG GLN 102 -7.587 -0.915 11.948 785 2HG GLN 102 2HG GLN 102 -6.830 0.542 11.374 786 1HE2 GLN 102 1HE2 GLN 102 -7.066 1.185 13.660 787 2HE2 GLN 102 2HE2 GLN 102 -8.637 1.588 14.346 788 H TYR 103 H TYR 103 -7.757 -1.736 7.559 789 HA TYR 103 HA TYR 103 -9.955 -1.203 5.811 790 1HB TYR 103 1HB TYR 103 -7.817 -0.880 5.046 791 2HB TYR 103 2HB TYR 103 -7.246 -2.496 5.438 792 HD1 TYR 103 1HD TYR 103 -7.240 -4.173 3.744 793 HD2 TYR 103 2HD TYR 103 -9.833 -0.760 3.338 794 HE1 TYR 103 1HE TYR 103 -8.088 -5.102 1.653 795 HE2 TYR 103 2HE TYR 103 -10.687 -1.675 1.183 796 HH TYR 103 HH TYR 103 -10.484 -3.316 -0.400 797 H LEU 104 H LEU 104 -8.468 -4.382 6.729 798 HA LEU 104 HA LEU 104 -10.252 -5.980 5.303 799 1HB LEU 104 1HB LEU 104 -8.507 -6.383 7.781 800 2HB LEU 104 2HB LEU 104 -9.685 -7.608 7.324 801 HG LEU 104 HG LEU 104 -8.722 -7.576 5.026 802 1HD1 LEU 104 1HD1 LEU 104 -6.532 -6.890 4.510 803 2HD1 LEU 104 2HD1 LEU 104 -7.348 -5.511 5.251 804 3HD1 LEU 104 3HD1 LEU 104 -6.200 -6.445 6.200 805 1HD2 LEU 104 1HD2 LEU 104 -8.202 -9.385 6.741 806 2HD2 LEU 104 2HD2 LEU 104 -6.946 -9.206 5.515 807 3HD2 LEU 104 3HD2 LEU 104 -6.729 -8.508 7.140 808 H SER 105 H SER 105 -10.548 -4.369 8.448 809 HA SER 105 HA SER 105 -13.049 -5.657 9.186 810 1HB SER 105 1HB SER 105 -11.571 -3.246 10.310 811 2HB SER 105 2HB SER 105 -12.978 -4.032 11.044 812 HG SER 105 HG SER 105 -10.353 -4.951 10.747 813 H GLY 106 H GLY 106 -12.466 -3.444 6.744 814 1HA GLY 106 1HA GLY 106 -13.997 -2.373 5.433 815 2HA GLY 106 2HA GLY 106 -15.281 -2.903 6.522 816 H GLN 107 H GLN 107 -12.782 -1.173 8.214 817 HA GLN 107 HA GLN 107 -14.682 1.048 8.652 818 1HB GLN 107 1HB GLN 107 -11.875 0.785 9.753 819 2HB GLN 107 2HB GLN 107 -13.214 1.739 10.381 820 1HG GLN 107 1HG GLN 107 -12.951 -1.304 10.407 821 2HG GLN 107 2HG GLN 107 -12.773 -0.221 11.768 822 1HE2 GLN 107 1HE2 GLN 107 -14.470 -1.442 12.964 823 2HE2 GLN 107 2HE2 GLN 107 -16.143 -1.249 12.464 824 H LEU 108 H LEU 108 -11.534 0.517 7.221 825 HA LEU 108 HA LEU 108 -11.155 3.293 6.514 826 1HB LEU 108 1HB LEU 108 -9.690 0.804 6.445 827 2HB LEU 108 2HB LEU 108 -9.535 1.552 4.879 828 HG LEU 108 HG LEU 108 -8.506 3.508 5.836 829 1HD1 LEU 108 1HD1 LEU 108 -8.037 3.648 8.341 830 2HD1 LEU 108 2HD1 LEU 108 -9.705 3.959 7.908 831 3HD1 LEU 108 3HD1 LEU 108 -9.252 2.381 8.573 832 1HD2 LEU 108 1HD2 LEU 108 -7.148 1.478 5.534 833 2HD2 LEU 108 2HD2 LEU 108 -6.554 2.445 6.906 834 3HD2 LEU 108 3HD2 LEU 108 -7.486 0.978 7.198 835 H LYS 109 H LYS 109 -11.432 4.351 4.631 836 HA LYS 109 HA LYS 109 -12.292 3.162 2.161 837 1HB LYS 109 1HB LYS 109 -14.405 4.289 1.968 838 2HB LYS 109 2HB LYS 109 -14.481 3.261 3.376 839 1HG LYS 109 1HG LYS 109 -13.920 6.264 3.565 840 2HG LYS 109 2HG LYS 109 -15.527 5.577 3.510 841 1HD LYS 109 1HD LYS 109 -15.058 4.250 5.561 842 2HD LYS 109 2HD LYS 109 -13.476 5.063 5.693 843 1HE LYS 109 1HE LYS 109 -14.564 7.243 5.789 844 2HE LYS 109 2HE LYS 109 -16.153 6.508 5.561 845 1HZ LYS 109 1HZ LYS 109 -14.376 6.236 7.882 846 2HZ LYS 109 2HZ LYS 109 -15.852 6.942 7.828 847 3HZ LYS 109 3HZ LYS 109 -15.737 5.302 7.670 848 H ASP 110 H ASP 110 -12.643 5.082 0.552 849 HA ASP 110 HA ASP 110 -11.311 7.574 1.451 850 1HB ASP 110 1HB ASP 110 -10.331 7.883 -0.710 851 2HB ASP 110 2HB ASP 110 -9.784 6.426 0.030 852 H SER 111 H SER 111 -14.048 6.449 0.966 853 HA SER 111 HA SER 111 -16.162 7.204 0.410 854 1HB SER 111 1HB SER 111 -14.922 9.450 1.032 855 2HB SER 111 2HB SER 111 -14.995 9.739 -0.699 856 HG SER 111 HG SER 111 -16.802 10.577 -0.081 857 H ASP 112 H ASP 112 -17.042 8.666 -1.832 858 HA ASP 112 HA ASP 112 -16.451 7.073 -4.193 859 1HB ASP 112 1HB ASP 112 -18.188 8.403 -5.216 860 2HB ASP 112 2HB ASP 112 -18.808 7.693 -3.728 861 H TYR 113 H TYR 113 -14.906 7.736 -5.405 862 HA TYR 113 HA TYR 113 -13.876 10.543 -5.305 863 1HB TYR 113 1HB TYR 113 -12.408 8.402 -4.553 864 2HB TYR 113 2HB TYR 113 -12.101 8.352 -6.286 865 HD1 TYR 113 1HD TYR 113 -10.557 9.987 -7.288 866 HD2 TYR 113 2HD TYR 113 -11.994 10.517 -3.241 867 HE1 TYR 113 1HE TYR 113 -8.942 11.815 -6.957 868 HE2 TYR 113 2HE TYR 113 -10.368 12.361 -2.916 869 HH TYR 113 HH TYR 113 -9.251 14.034 -4.649 870 H GLU 114 H GLU 114 -12.670 11.031 -7.464 871 HA GLU 114 HA GLU 114 -14.490 10.309 -9.697 872 1HB GLU 114 1HB GLU 114 -14.154 12.616 -10.467 873 2HB GLU 114 2HB GLU 114 -14.992 12.490 -8.915 874 1HG GLU 114 1HG GLU 114 -13.008 13.189 -7.702 875 2HG GLU 114 2HG GLU 114 -12.031 13.122 -9.167 876 H VAL 115 H VAL 115 -13.483 10.701 -11.922 877 HA VAL 115 HA VAL 115 -10.788 9.489 -11.879 878 HB VAL 115 HB VAL 115 -11.618 8.654 -14.146 879 1HG1 VAL 115 1HG1 VAL 115 -11.381 7.215 -12.132 880 2HG1 VAL 115 2HG1 VAL 115 -13.051 7.616 -11.663 881 3HG1 VAL 115 3HG1 VAL 115 -12.732 6.709 -13.158 882 1HG2 VAL 115 1HG2 VAL 115 -13.600 10.086 -14.417 883 2HG2 VAL 115 2HG2 VAL 115 -13.969 8.363 -14.532 884 3HG2 VAL 115 3HG2 VAL 115 -14.386 9.240 -13.056 885 H HIS 116 H HIS 116 -9.426 10.039 -13.753 886 HA HIS 116 HA HIS 116 -9.446 12.958 -14.021 887 1HB HIS 116 1HB HIS 116 -7.275 12.688 -15.172 888 2HB HIS 116 2HB HIS 116 -7.344 12.074 -13.535 889 HD1 HIS 116 1HD HIS 116 -7.182 9.356 -13.253 890 HD2 HIS 116 2HD HIS 116 -6.716 10.981 -17.132 891 HE1 HIS 116 1HE HIS 116 -6.267 7.478 -14.753 892 HE2 HIS 116 2HE HIS 116 -5.870 8.471 -17.069 893 H ASP 117 H ASP 117 -11.131 13.542 -15.339 894 HA ASP 117 HA ASP 117 -11.768 12.651 -17.921 895 1HB ASP 117 1HB ASP 117 -13.083 14.284 -16.675 896 2HB ASP 117 2HB ASP 117 -11.763 15.456 -16.740 897 H HIS 118 H HIS 118 -9.525 15.357 -17.089 898 HA HIS 118 HA HIS 118 -8.486 15.434 -19.753 899 1HB HIS 118 1HB HIS 118 -8.346 17.167 -17.600 900 2HB HIS 118 2HB HIS 118 -6.682 16.640 -17.786 901 HD1 HIS 118 1HD HIS 118 -8.286 19.511 -18.664 902 HD2 HIS 118 2HD HIS 118 -6.592 16.471 -21.087 903 HE1 HIS 118 1HE HIS 118 -7.689 20.588 -20.917 904 HE2 HIS 118 2HE HIS 118 -6.693 18.714 -22.398 905 H HIS 119 H HIS 119 -7.046 14.053 -20.678 906 HA HIS 119 HA HIS 119 -4.666 13.269 -19.138 907 1HB HIS 119 1HB HIS 119 -4.513 11.065 -20.065 908 2HB HIS 119 2HB HIS 119 -6.058 11.201 -19.255 909 HD1 HIS 119 1HD HIS 119 -4.912 9.515 -22.158 910 HD2 HIS 119 2HD HIS 119 -8.164 12.026 -21.219 911 HE1 HIS 119 1HE HIS 119 -6.534 9.301 -24.059 912 HE2 HIS 119 2HE HIS 119 -8.571 10.782 -23.479 913 H HIS 120 H HIS 120 -2.973 12.459 -21.103 914 HA HIS 120 HA HIS 120 -3.356 13.954 -23.557 915 1HB HIS 120 1HB HIS 120 -1.195 15.291 -23.143 916 2HB HIS 120 2HB HIS 120 -2.691 15.870 -22.458 917 HD1 HIS 120 1HD HIS 120 -2.588 16.447 -19.831 918 HD2 HIS 120 2HD HIS 120 0.548 14.026 -21.333 919 HE1 HIS 120 1HE HIS 120 -0.905 16.169 -17.953 920 HE2 HIS 120 2HE HIS 120 0.998 14.701 -18.834 921 H HIS 121 H HIS 121 -3.199 11.733 -24.234 922 HA HIS 121 HA HIS 121 -2.395 9.592 -24.338 923 1HB HIS 121 1HB HIS 121 -0.512 11.371 -25.821 924 2HB HIS 121 2HB HIS 121 -0.021 9.703 -25.592 925 HD1 HIS 121 1HD HIS 121 -1.441 11.469 -28.244 926 HD2 HIS 121 2HD HIS 121 -2.378 7.909 -26.174 927 HE1 HIS 121 1HE HIS 121 -2.682 9.946 -29.906 928 HE2 HIS 121 2HE HIS 121 -3.296 7.807 -28.602 929 H GLU 122 H GLU 122 -2.265 8.939 -22.306 930 HA GLU 122 HA GLU 122 -0.068 9.188 -20.490 931 1HB GLU 122 1HB GLU 122 -1.040 7.161 -19.442 932 2HB GLU 122 2HB GLU 122 -2.146 8.515 -19.579 933 1HG GLU 122 1HG GLU 122 -2.170 6.330 -21.701 934 2HG GLU 122 2HG GLU 122 -2.945 6.068 -20.145 935 H HIS 123 H HIS 123 1.364 7.463 -19.889 936 HA HIS 123 HA HIS 123 1.961 5.369 -21.823 937 1HB HIS 123 1HB HIS 123 4.041 7.286 -20.666 938 2HB HIS 123 2HB HIS 123 4.420 5.773 -21.464 939 HD1 HIS 123 1HD HIS 123 2.075 6.445 -23.857 940 HD2 HIS 123 2HD HIS 123 5.558 8.515 -22.617 941 HE1 HIS 123 1HE HIS 123 2.886 7.821 -25.880 942 HE2 HIS 123 2HE HIS 123 5.042 9.012 -25.135 943 H HIS 124 H HIS 124 3.461 3.754 -20.593 944 HA HIS 124 HA HIS 124 2.058 3.194 -18.141 945 1HB HIS 124 1HB HIS 124 2.887 1.164 -18.281 946 2HB HIS 124 2HB HIS 124 3.334 1.600 -19.906 947 HD1 HIS 124 1HD HIS 124 4.718 0.155 -16.858 948 HD2 HIS 124 2HD HIS 124 6.110 2.418 -20.151 949 HE1 HIS 124 1HE HIS 124 7.249 -0.346 -17.109 950 HE2 HIS 124 2HE HIS 124 8.077 1.031 -19.068 Start of MODEL 21 1 1H MET 1 1H MET 1 -5.063 -9.508 -2.986 2 HA MET 1 HA MET 1 -4.051 -7.398 -4.759 3 1HB MET 1 1HB MET 1 -5.140 -5.758 -3.490 4 2HB MET 1 2HB MET 1 -6.312 -7.062 -3.612 5 1HG MET 1 1HG MET 1 -4.868 -7.468 -1.232 6 2HG MET 1 2HG MET 1 -5.334 -5.774 -1.293 7 1HE MET 1 1HE MET 1 -8.167 -5.892 -2.870 8 2HE MET 1 2HE MET 1 -9.254 -6.039 -1.476 9 3HE MET 1 3HE MET 1 -7.857 -4.943 -1.394 10 H ILE 2 H ILE 2 -2.309 -6.105 -4.136 11 HA ILE 2 HA ILE 2 -0.946 -6.677 -1.550 12 HB ILE 2 HB ILE 2 0.153 -5.191 -3.939 13 1HG1 ILE 2 1HG1 ILE 2 0.571 -8.106 -3.176 14 2HG1 ILE 2 2HG1 ILE 2 -0.257 -7.514 -4.604 15 1HG2 ILE 2 1HG2 ILE 2 1.811 -6.505 -1.784 16 2HG2 ILE 2 2HG2 ILE 2 2.231 -5.205 -2.924 17 3HG2 ILE 2 3HG2 ILE 2 1.166 -4.902 -1.551 18 1HD1 ILE 2 1HD1 ILE 2 1.806 -6.544 -5.487 19 2HD1 ILE 2 2HD1 ILE 2 2.712 -7.175 -4.087 20 3HD1 ILE 2 3HD1 ILE 2 1.945 -8.291 -5.209 21 H ILE 3 H ILE 3 -0.577 -4.726 -0.328 22 HA ILE 3 HA ILE 3 -2.366 -2.406 -0.753 23 HB ILE 3 HB ILE 3 -1.701 -4.072 1.704 24 1HG1 ILE 3 1HG1 ILE 3 -4.425 -3.368 0.595 25 2HG1 ILE 3 2HG1 ILE 3 -3.495 -4.705 -0.063 26 1HG2 ILE 3 1HG2 ILE 3 -3.222 -1.429 1.522 27 2HG2 ILE 3 2HG2 ILE 3 -3.197 -2.491 2.953 28 3HG2 ILE 3 3HG2 ILE 3 -1.716 -1.726 2.408 29 1HD1 ILE 3 1HD1 ILE 3 -3.362 -5.717 2.235 30 2HD1 ILE 3 2HD1 ILE 3 -4.395 -4.407 2.847 31 3HD1 ILE 3 3HD1 ILE 3 -5.040 -5.543 1.654 32 H ALA 4 H ALA 4 -0.951 -0.805 -1.201 33 HA ALA 4 HA ALA 4 1.747 -0.748 0.116 34 1HB ALA 4 1HB ALA 4 2.301 0.521 -1.625 35 2HB ALA 4 2HB ALA 4 0.607 0.737 -2.124 36 3HB ALA 4 3HB ALA 4 1.342 1.812 -0.921 37 H ILE 5 H ILE 5 2.374 0.706 1.709 38 HA ILE 5 HA ILE 5 0.457 2.655 2.797 39 HB ILE 5 HB ILE 5 1.875 0.557 4.484 40 1HG1 ILE 5 1HG1 ILE 5 -1.088 1.106 4.012 41 2HG1 ILE 5 2HG1 ILE 5 -0.185 -0.303 3.438 42 1HG2 ILE 5 1HG2 ILE 5 1.889 2.875 5.472 43 2HG2 ILE 5 2HG2 ILE 5 0.125 2.916 5.284 44 3HG2 ILE 5 3HG2 ILE 5 0.898 1.774 6.408 45 1HD1 ILE 5 1HD1 ILE 5 -0.723 0.287 6.351 46 2HD1 ILE 5 2HD1 ILE 5 -1.565 -0.872 5.318 47 3HD1 ILE 5 3HD1 ILE 5 0.156 -1.109 5.678 48 HA PRO 6 HA PRO 6 4.676 4.369 2.387 49 1HB PRO 6 1HB PRO 6 4.057 7.018 2.663 50 2HB PRO 6 2HB PRO 6 3.812 6.131 1.114 51 1HG PRO 6 1HG PRO 6 1.789 6.872 3.201 52 2HG PRO 6 2HG PRO 6 1.654 6.917 1.412 53 1HD PRO 6 1HD PRO 6 0.690 4.857 3.026 54 2HD PRO 6 2HD PRO 6 1.170 4.692 1.309 55 H VAL 7 H VAL 7 5.975 4.319 4.195 56 HA VAL 7 HA VAL 7 4.708 5.064 6.795 57 HB VAL 7 HB VAL 7 6.165 3.413 7.881 58 1HG1 VAL 7 1HG1 VAL 7 3.798 2.959 7.425 59 2HG1 VAL 7 2HG1 VAL 7 4.233 2.227 5.855 60 3HG1 VAL 7 3HG1 VAL 7 4.775 1.508 7.379 61 1HG2 VAL 7 1HG2 VAL 7 6.789 2.477 5.042 62 2HG2 VAL 7 2HG2 VAL 7 7.913 3.012 6.326 63 3HG2 VAL 7 3HG2 VAL 7 7.045 1.496 6.486 64 H SER 8 H SER 8 6.125 5.954 8.352 65 HA SER 8 HA SER 8 7.914 7.824 7.012 66 1HB SER 8 1HB SER 8 6.109 8.220 8.887 67 2HB SER 8 2HB SER 8 7.448 7.839 9.991 68 HG SER 8 HG SER 8 7.311 9.833 7.950 69 H GLU 9 H GLU 9 8.210 4.810 8.753 70 HA GLU 9 HA GLU 9 11.127 4.983 8.773 71 1HB GLU 9 1HB GLU 9 9.467 4.419 11.273 72 2HB GLU 9 2HB GLU 9 11.217 4.163 11.115 73 1HG GLU 9 1HG GLU 9 11.430 6.624 10.576 74 2HG GLU 9 2HG GLU 9 9.719 6.779 10.979 75 H ASN 10 H ASN 10 12.022 2.929 9.016 76 HA ASN 10 HA ASN 10 10.274 0.932 7.702 77 1HB ASN 10 1HB ASN 10 12.501 1.741 6.714 78 2HB ASN 10 2HB ASN 10 13.288 0.642 7.839 79 1HD2 ASN 10 1HD2 ASN 10 12.554 -1.786 7.650 80 2HD2 ASN 10 2HD2 ASN 10 11.935 -2.271 6.077 81 H ARG 11 H ARG 11 9.285 0.666 9.842 82 HA ARG 11 HA ARG 11 10.866 -0.993 11.742 83 1HB ARG 11 1HB ARG 11 8.286 0.530 12.183 84 2HB ARG 11 2HB ARG 11 9.269 -0.226 13.411 85 1HG ARG 11 1HG ARG 11 11.101 1.438 12.700 86 2HG ARG 11 2HG ARG 11 9.867 2.220 11.721 87 1HD ARG 11 1HD ARG 11 8.434 2.665 13.602 88 2HD ARG 11 2HD ARG 11 9.378 1.656 14.675 89 HE ARG 11 HE ARG 11 9.907 4.428 13.909 90 1HH1 ARG 11 2HH2 ARG 11 11.264 1.510 15.412 91 2HH1 ARG 11 1HH2 ARG 11 12.453 2.417 16.291 92 1HH2 ARG 11 2HH1 ARG 11 11.584 5.497 14.734 93 2HH2 ARG 11 1HH1 ARG 11 12.852 4.739 15.653 94 H GLY 12 H GLY 12 9.917 -2.475 9.546 95 1HA GLY 12 1HA GLY 12 8.349 -4.178 8.933 96 2HA GLY 12 2HA GLY 12 9.247 -4.813 10.309 97 H LYS 13 H LYS 13 6.259 -3.123 9.452 98 HA LYS 13 HA LYS 13 4.055 -3.557 9.951 99 1HB LYS 13 1HB LYS 13 4.810 -5.238 12.338 100 2HB LYS 13 2HB LYS 13 3.246 -5.104 11.564 101 1HG LYS 13 1HG LYS 13 4.001 -6.237 9.582 102 2HG LYS 13 2HG LYS 13 5.679 -6.242 10.147 103 1HD LYS 13 1HD LYS 13 3.406 -7.726 11.496 104 2HD LYS 13 2HD LYS 13 4.627 -8.439 10.412 105 1HE LYS 13 1HE LYS 13 6.428 -7.635 11.953 106 2HE LYS 13 2HE LYS 13 5.184 -7.041 13.061 107 1HZ LYS 13 1HZ LYS 13 5.571 -9.859 12.298 108 2HZ LYS 13 2HZ LYS 13 5.910 -9.156 13.745 109 3HZ LYS 13 3HZ LYS 13 4.353 -9.294 13.239 110 H ASP 14 H ASP 14 6.205 -3.174 12.907 111 HA ASP 14 HA ASP 14 4.465 -1.228 14.062 112 1HB ASP 14 1HB ASP 14 6.726 -0.577 15.158 113 2HB ASP 14 2HB ASP 14 5.762 -1.897 15.733 114 H SER 15 H SER 15 6.056 -1.131 11.168 115 HA SER 15 HA SER 15 6.998 1.408 10.657 116 1HB SER 15 1HB SER 15 5.133 -0.103 8.882 117 2HB SER 15 2HB SER 15 6.489 0.980 8.478 118 HG SER 15 HG SER 15 7.251 -1.002 8.173 119 HA PRO 16 HA PRO 16 3.124 3.620 11.686 120 1HB PRO 16 1HB PRO 16 4.121 6.026 12.375 121 2HB PRO 16 2HB PRO 16 4.351 4.603 13.407 122 1HG PRO 16 1HG PRO 16 6.338 5.780 11.432 123 2HG PRO 16 2HG PRO 16 6.624 5.265 13.121 124 1HD PRO 16 1HD PRO 16 7.144 3.655 10.927 125 2HD PRO 16 2HD PRO 16 6.694 3.027 12.529 126 H ILE 17 H ILE 17 1.779 4.552 10.172 127 HA ILE 17 HA ILE 17 2.634 4.943 7.531 128 HB ILE 17 HB ILE 17 0.427 4.189 8.287 129 1HG1 ILE 17 1HG1 ILE 17 0.194 6.631 6.501 130 2HG1 ILE 17 2HG1 ILE 17 0.807 5.071 5.967 131 1HG2 ILE 17 1HG2 ILE 17 0.196 5.929 10.116 132 2HG2 ILE 17 2HG2 ILE 17 -0.275 7.080 8.869 133 3HG2 ILE 17 3HG2 ILE 17 -1.234 5.589 9.153 134 1HD1 ILE 17 1HD1 ILE 17 -1.389 4.039 6.581 135 2HD1 ILE 17 2HD1 ILE 17 -1.989 5.662 6.996 136 3HD1 ILE 17 3HD1 ILE 17 -1.518 5.293 5.330 137 H SER 18 H SER 18 3.110 6.665 6.293 138 HA SER 18 HA SER 18 3.970 9.222 7.426 139 1HB SER 18 1HB SER 18 5.034 7.964 5.415 140 2HB SER 18 2HB SER 18 3.534 8.387 4.550 141 HG SER 18 HG SER 18 5.587 10.073 5.493 142 H GLU 19 H GLU 19 3.129 11.210 6.177 143 HA GLU 19 HA GLU 19 0.153 11.056 6.150 144 1HB GLU 19 1HB GLU 19 1.723 13.627 5.806 145 2HB GLU 19 2HB GLU 19 0.051 13.402 6.284 146 1HG GLU 19 1HG GLU 19 0.983 13.977 8.277 147 2HG GLU 19 2HG GLU 19 1.015 12.221 8.401 148 H HIS 20 H HIS 20 2.889 11.233 4.193 149 HA HIS 20 HA HIS 20 1.447 12.364 1.849 150 1HB HIS 20 1HB HIS 20 4.466 12.277 2.357 151 2HB HIS 20 2HB HIS 20 3.610 13.192 1.126 152 HD1 HIS 20 1HD HIS 20 1.733 15.075 2.376 153 HD2 HIS 20 2HD HIS 20 4.984 13.505 4.611 154 HE1 HIS 20 1HE HIS 20 2.119 16.640 4.402 155 HE2 HIS 20 2HE HIS 20 4.089 15.678 5.730 156 H PHE 21 H PHE 21 2.536 11.456 -0.203 157 HA PHE 21 HA PHE 21 3.196 8.566 0.085 158 1HB PHE 21 1HB PHE 21 0.992 8.468 -0.721 159 2HB PHE 21 2HB PHE 21 1.238 9.821 -1.835 160 HD1 PHE 21 1HD PHE 21 2.033 6.222 -1.232 161 HD2 PHE 21 2HD PHE 21 2.284 9.539 -4.000 162 HE1 PHE 21 1HE PHE 21 2.808 4.708 -3.014 163 HE2 PHE 21 2HE PHE 21 3.052 8.004 -5.779 164 HZ PHE 21 HZ PHE 21 3.315 5.605 -5.306 165 H GLY 22 H GLY 22 3.075 11.287 -2.266 166 1HA GLY 22 1HA GLY 22 5.071 10.290 -3.881 167 2HA GLY 22 2HA GLY 22 4.568 11.975 -3.826 168 H ARG 23 H ARG 23 5.789 11.378 -0.796 169 HA ARG 23 HA ARG 23 8.657 11.479 -1.437 170 1HB ARG 23 1HB ARG 23 7.431 13.493 0.454 171 2HB ARG 23 2HB ARG 23 9.078 13.479 -0.094 172 1HG ARG 23 1HG ARG 23 6.893 14.119 -2.114 173 2HG ARG 23 2HG ARG 23 7.154 15.202 -0.772 174 1HD ARG 23 1HD ARG 23 9.729 14.921 -1.551 175 2HD ARG 23 2HD ARG 23 8.949 14.579 -3.102 176 HE ARG 23 HE ARG 23 7.643 16.820 -2.262 177 1HH1 ARG 23 2HH2 ARG 23 11.141 16.245 -2.687 178 2HH1 ARG 23 1HH2 ARG 23 11.549 17.871 -2.202 179 1HH2 ARG 23 2HH1 ARG 23 8.266 19.058 -2.094 180 2HH2 ARG 23 1HH1 ARG 23 9.968 19.442 -2.070 181 H ALA 24 H ALA 24 6.917 9.439 -0.276 182 HA ALA 24 HA ALA 24 7.125 9.505 2.648 183 1HB ALA 24 1HB ALA 24 5.470 8.143 1.419 184 2HB ALA 24 2HB ALA 24 6.780 7.199 0.683 185 3HB ALA 24 3HB ALA 24 6.540 7.135 2.435 186 HA PRO 25 HA PRO 25 11.472 8.024 2.236 187 1HB PRO 25 1HB PRO 25 11.959 7.068 4.748 188 2HB PRO 25 2HB PRO 25 11.807 8.797 4.377 189 1HG PRO 25 1HG PRO 25 9.711 6.996 5.528 190 2HG PRO 25 2HG PRO 25 10.166 8.653 6.031 191 1HD PRO 25 1HD PRO 25 8.015 8.127 4.390 192 2HD PRO 25 2HD PRO 25 9.000 9.617 4.250 193 H TYR 26 H TYR 26 8.812 5.785 3.061 194 HA TYR 26 HA TYR 26 10.246 3.566 1.813 195 1HB TYR 26 1HB TYR 26 9.055 3.378 4.594 196 2HB TYR 26 2HB TYR 26 9.787 2.054 3.702 197 HD1 TYR 26 1HD TYR 26 12.239 1.954 3.421 198 HD2 TYR 26 2HD TYR 26 10.348 4.970 5.847 199 HE1 TYR 26 1HE TYR 26 14.446 2.591 4.303 200 HE2 TYR 26 2HE TYR 26 12.522 5.546 6.859 201 HH TYR 26 HH TYR 26 15.287 3.673 6.451 202 H PHE 27 H PHE 27 8.751 1.841 1.294 203 HA PHE 27 HA PHE 27 5.846 2.482 1.549 204 1HB PHE 27 1HB PHE 27 7.306 1.312 -0.836 205 2HB PHE 27 2HB PHE 27 5.593 1.269 -0.659 206 HD1 PHE 27 1HD PHE 27 5.629 4.359 0.599 207 HD2 PHE 27 2HD PHE 27 7.180 2.508 -2.927 208 HE1 PHE 27 1HE PHE 27 5.047 6.354 -0.667 209 HE2 PHE 27 2HE PHE 27 6.567 4.541 -4.252 210 HZ PHE 27 HZ PHE 27 5.462 6.467 -3.108 211 H ALA 28 H ALA 28 5.157 1.077 3.041 212 HA ALA 28 HA ALA 28 6.071 -1.751 3.202 213 1HB ALA 28 1HB ALA 28 4.312 -1.832 4.964 214 2HB ALA 28 2HB ALA 28 5.534 -0.602 5.343 215 3HB ALA 28 3HB ALA 28 3.968 -0.115 4.696 216 H PHE 29 H PHE 29 5.540 -2.361 1.094 217 HA PHE 29 HA PHE 29 2.676 -2.487 0.407 218 1HB PHE 29 1HB PHE 29 5.212 -3.239 -0.905 219 2HB PHE 29 2HB PHE 29 3.879 -4.361 -1.149 220 HD1 PHE 29 1HD PHE 29 1.427 -2.855 -1.602 221 HD2 PHE 29 2HD PHE 29 5.447 -1.825 -2.831 222 HE1 PHE 29 1HE PHE 29 0.517 -1.343 -3.253 223 HE2 PHE 29 2HE PHE 29 4.430 -0.604 -4.791 224 HZ PHE 29 HZ PHE 29 1.961 -0.259 -4.910 225 H VAL 30 H VAL 30 1.434 -4.217 0.950 226 HA VAL 30 HA VAL 30 2.582 -6.468 2.485 227 HB VAL 30 HB VAL 30 -0.060 -5.045 3.142 228 1HG1 VAL 30 1HG1 VAL 30 1.680 -6.988 4.708 229 2HG1 VAL 30 2HG1 VAL 30 0.224 -6.188 5.342 230 3HG1 VAL 30 3HG1 VAL 30 0.098 -7.309 3.984 231 1HG2 VAL 30 1HG2 VAL 30 1.086 -4.011 5.122 232 2HG2 VAL 30 2HG2 VAL 30 2.649 -4.396 4.359 233 3HG2 VAL 30 3HG2 VAL 30 1.504 -3.294 3.573 234 H LYS 31 H LYS 31 1.474 -8.424 2.001 235 HA LYS 31 HA LYS 31 -0.120 -8.221 -0.499 236 1HB LYS 31 1HB LYS 31 1.256 -10.535 0.891 237 2HB LYS 31 2HB LYS 31 0.231 -10.708 -0.560 238 1HG LYS 31 1HG LYS 31 1.888 -8.675 -1.352 239 2HG LYS 31 2HG LYS 31 2.889 -9.443 -0.172 240 1HD LYS 31 1HD LYS 31 3.506 -10.536 -2.153 241 2HD LYS 31 2HD LYS 31 2.393 -11.677 -1.367 242 1HE LYS 31 1HE LYS 31 0.544 -10.475 -2.783 243 2HE LYS 31 2HE LYS 31 1.888 -9.766 -3.697 244 1HZ LYS 31 1HZ LYS 31 1.056 -11.787 -4.729 245 2HZ LYS 31 2HZ LYS 31 2.603 -12.029 -4.203 246 3HZ LYS 31 3HZ LYS 31 1.312 -12.624 -3.353 247 H VAL 32 H VAL 32 -1.697 -10.430 -0.314 248 HA VAL 32 HA VAL 32 -3.006 -10.517 2.198 249 HB VAL 32 HB VAL 32 -4.713 -9.942 -0.267 250 1HG1 VAL 32 1HG1 VAL 32 -5.667 -10.216 2.608 251 2HG1 VAL 32 2HG1 VAL 32 -6.653 -9.931 1.159 252 3HG1 VAL 32 3HG1 VAL 32 -5.828 -11.476 1.368 253 1HG2 VAL 32 1HG2 VAL 32 -5.473 -7.891 0.925 254 2HG2 VAL 32 2HG2 VAL 32 -4.275 -8.196 2.197 255 3HG2 VAL 32 3HG2 VAL 32 -3.758 -7.821 0.539 256 H LYS 33 H LYS 33 -3.776 -12.603 2.480 257 HA LYS 33 HA LYS 33 -4.065 -14.509 0.237 258 1HB LYS 33 1HB LYS 33 -1.927 -15.214 0.898 259 2HB LYS 33 2HB LYS 33 -2.180 -14.774 2.596 260 1HG LYS 33 1HG LYS 33 -3.925 -17.010 1.816 261 2HG LYS 33 2HG LYS 33 -2.249 -17.302 1.419 262 1HD LYS 33 1HD LYS 33 -2.633 -18.183 3.606 263 2HD LYS 33 2HD LYS 33 -1.540 -16.803 3.706 264 1HE LYS 33 1HE LYS 33 -3.466 -15.392 4.412 265 2HE LYS 33 2HE LYS 33 -4.521 -16.800 4.400 266 1HZ LYS 33 1HZ LYS 33 -2.854 -17.745 6.089 267 2HZ LYS 33 2HZ LYS 33 -2.113 -16.283 6.089 268 3HZ LYS 33 3HZ LYS 33 -3.658 -16.441 6.638 269 H ASN 34 H ASN 34 -6.028 -15.449 0.596 270 HA ASN 34 HA ASN 34 -8.026 -15.795 1.551 271 1HB ASN 34 1HB ASN 34 -6.275 -17.437 3.380 272 2HB ASN 34 2HB ASN 34 -8.024 -17.593 3.234 273 1HD2 ASN 34 1HD2 ASN 34 -5.143 -18.921 2.003 274 2HD2 ASN 34 2HD2 ASN 34 -5.707 -19.437 0.449 275 H ASN 35 H ASN 35 -7.800 -13.359 2.091 276 HA ASN 35 HA ASN 35 -8.422 -11.608 3.301 277 1HB ASN 35 1HB ASN 35 -10.234 -13.570 4.121 278 2HB ASN 35 2HB ASN 35 -9.644 -12.865 5.634 279 1HD2 ASN 35 1HD2 ASN 35 -10.334 -10.611 6.151 280 2HD2 ASN 35 2HD2 ASN 35 -11.355 -9.745 5.019 281 H ALA 36 H ALA 36 -5.836 -13.068 4.203 282 HA ALA 36 HA ALA 36 -5.445 -11.525 6.677 283 1HB ALA 36 1HB ALA 36 -5.527 -14.000 7.127 284 2HB ALA 36 2HB ALA 36 -4.152 -14.200 6.022 285 3HB ALA 36 3HB ALA 36 -3.968 -13.274 7.527 286 H ILE 37 H ILE 37 -2.677 -11.551 6.887 287 HA ILE 37 HA ILE 37 -2.133 -9.543 5.019 288 HB ILE 37 HB ILE 37 -0.899 -10.819 7.413 289 1HG1 ILE 37 1HG1 ILE 37 -0.434 -8.436 7.983 290 2HG1 ILE 37 2HG1 ILE 37 -1.135 -7.944 6.441 291 1HG2 ILE 37 1HG2 ILE 37 0.970 -9.261 5.604 292 2HG2 ILE 37 2HG2 ILE 37 1.282 -9.843 7.255 293 3HG2 ILE 37 3HG2 ILE 37 1.073 -11.001 5.974 294 1HD1 ILE 37 1HD1 ILE 37 -3.327 -8.883 7.177 295 2HD1 ILE 37 2HD1 ILE 37 -2.554 -9.421 8.697 296 3HD1 ILE 37 3HD1 ILE 37 -2.705 -7.696 8.338 297 H ALA 38 H ALA 38 -1.464 -12.920 4.688 298 HA ALA 38 HA ALA 38 -0.005 -14.170 3.457 299 1HB ALA 38 1HB ALA 38 -0.790 -13.489 1.369 300 2HB ALA 38 2HB ALA 38 -0.306 -11.839 1.591 301 3HB ALA 38 3HB ALA 38 0.911 -13.098 1.263 302 H ASP 39 H ASP 39 1.399 -10.891 3.129 303 HA ASP 39 HA ASP 39 4.028 -11.738 4.184 304 1HB ASP 39 1HB ASP 39 3.292 -11.766 1.275 305 2HB ASP 39 2HB ASP 39 4.774 -10.916 1.644 306 H ILE 40 H ILE 40 5.638 -9.942 4.021 307 HA ILE 40 HA ILE 40 4.433 -7.217 3.894 308 HB ILE 40 HB ILE 40 6.104 -8.600 5.978 309 1HG1 ILE 40 1HG1 ILE 40 3.528 -8.417 6.170 310 2HG1 ILE 40 2HG1 ILE 40 4.532 -8.085 7.567 311 1HG2 ILE 40 1HG2 ILE 40 6.541 -6.432 7.119 312 2HG2 ILE 40 2HG2 ILE 40 7.418 -6.650 5.609 313 3HG2 ILE 40 3HG2 ILE 40 5.987 -5.598 5.644 314 1HD1 ILE 40 1HD1 ILE 40 2.625 -6.468 7.350 315 2HD1 ILE 40 2HD1 ILE 40 4.202 -5.676 7.355 316 3HD1 ILE 40 3HD1 ILE 40 3.344 -5.899 5.827 317 H SER 41 H SER 41 5.613 -5.845 2.585 318 HA SER 41 HA SER 41 8.423 -6.324 1.879 319 1HB SER 41 1HB SER 41 5.922 -5.803 0.200 320 2HB SER 41 2HB SER 41 7.535 -5.497 -0.376 321 HG SER 41 HG SER 41 7.988 -7.569 -0.436 322 H VAL 42 H VAL 42 8.555 -4.758 3.753 323 HA VAL 42 HA VAL 42 7.898 -1.986 2.972 324 HB VAL 42 HB VAL 42 9.629 -2.671 5.280 325 1HG1 VAL 42 1HG1 VAL 42 8.830 -0.551 6.148 326 2HG1 VAL 42 2HG1 VAL 42 9.338 -0.328 4.468 327 3HG1 VAL 42 3HG1 VAL 42 7.630 -0.425 4.835 328 1HG2 VAL 42 1HG2 VAL 42 7.654 -2.610 6.812 329 2HG2 VAL 42 2HG2 VAL 42 6.613 -2.839 5.381 330 3HG2 VAL 42 3HG2 VAL 42 7.807 -4.069 5.843 331 H GLU 43 H GLU 43 8.825 -1.576 1.220 332 HA GLU 43 HA GLU 43 11.717 -2.157 0.866 333 1HB GLU 43 1HB GLU 43 9.705 -1.088 -1.155 334 2HB GLU 43 2HB GLU 43 11.341 -1.649 -1.477 335 1HG GLU 43 1HG GLU 43 8.941 -3.348 -0.653 336 2HG GLU 43 2HG GLU 43 9.691 -3.287 -2.230 337 H GLU 44 H GLU 44 13.006 -0.353 0.144 338 HA GLU 44 HA GLU 44 12.749 2.178 1.390 339 1HB GLU 44 1HB GLU 44 14.253 1.073 -0.997 340 2HB GLU 44 2HB GLU 44 14.503 2.715 -0.418 341 1HG GLU 44 1HG GLU 44 15.510 2.017 1.590 342 2HG GLU 44 2HG GLU 44 14.811 0.408 1.521 343 H ASN 45 H ASN 45 12.511 4.233 0.279 344 HA ASN 45 HA ASN 45 10.828 4.182 -2.182 345 1HB ASN 45 1HB ASN 45 10.970 6.047 0.065 346 2HB ASN 45 2HB ASN 45 11.082 6.850 -1.496 347 1HD2 ASN 45 1HD2 ASN 45 9.349 6.006 -3.208 348 2HD2 ASN 45 2HD2 ASN 45 7.793 5.746 -2.405 349 HA PRO 46 HA PRO 46 15.167 4.736 -3.490 350 1HB PRO 46 1HB PRO 46 14.963 3.778 -6.063 351 2HB PRO 46 2HB PRO 46 15.076 2.742 -4.612 352 1HG PRO 46 1HG PRO 46 12.563 3.609 -6.078 353 2HG PRO 46 2HG PRO 46 13.037 1.956 -5.576 354 1HD PRO 46 1HD PRO 46 11.361 3.417 -4.055 355 2HD PRO 46 2HD PRO 46 12.642 2.449 -3.284 356 H LEU 47 H LEU 47 12.525 6.554 -4.119 357 HA LEU 47 HA LEU 47 14.142 8.635 -5.507 358 1HB LEU 47 1HB LEU 47 11.285 7.879 -6.264 359 2HB LEU 47 2HB LEU 47 12.136 9.305 -6.840 360 HG LEU 47 HG LEU 47 11.860 7.865 -8.581 361 1HD1 LEU 47 1HD1 LEU 47 14.157 7.508 -9.371 362 2HD1 LEU 47 2HD1 LEU 47 13.939 9.092 -8.586 363 3HD1 LEU 47 3HD1 LEU 47 14.752 7.774 -7.730 364 1HD2 LEU 47 1HD2 LEU 47 11.603 5.709 -7.345 365 2HD2 LEU 47 2HD2 LEU 47 12.493 5.637 -8.868 366 3HD2 LEU 47 3HD2 LEU 47 13.381 5.581 -7.347 367 H ALA 48 H ALA 48 13.519 8.283 -2.682 368 HA ALA 48 HA ALA 48 11.045 9.370 -1.849 369 1HB ALA 48 1HB ALA 48 12.600 8.187 -0.315 370 2HB ALA 48 2HB ALA 48 13.729 9.562 -0.406 371 3HB ALA 48 3HB ALA 48 12.124 9.764 0.321 372 H GLN 49 H GLN 49 14.076 11.069 -2.666 373 HA GLN 49 HA GLN 49 12.446 13.475 -3.016 374 1HB GLN 49 1HB GLN 49 13.633 13.235 -0.554 375 2HB GLN 49 2HB GLN 49 14.940 14.023 -1.448 376 1HG GLN 49 1HG GLN 49 13.178 15.713 -2.237 377 2HG GLN 49 2HG GLN 49 12.053 14.938 -1.122 378 1HE2 GLN 49 1HE2 GLN 49 14.578 17.304 -1.441 379 2HE2 GLN 49 2HE2 GLN 49 14.626 17.749 0.258 380 H ASP 50 H ASP 50 14.272 11.586 -4.786 381 HA ASP 50 HA ASP 50 16.344 13.616 -5.401 382 1HB ASP 50 1HB ASP 50 16.757 11.154 -4.295 383 2HB ASP 50 2HB ASP 50 16.986 10.798 -5.995 384 H HIS 51 H HIS 51 16.462 14.345 -7.335 385 HA HIS 51 HA HIS 51 15.914 15.028 -9.325 386 1HB HIS 51 1HB HIS 51 17.388 12.886 -9.684 387 2HB HIS 51 2HB HIS 51 15.944 12.238 -10.447 388 HD1 HIS 51 1HD HIS 51 16.249 12.620 -13.065 389 HD2 HIS 51 2HD HIS 51 17.978 15.619 -10.617 390 HE1 HIS 51 1HE HIS 51 17.331 14.344 -14.631 391 HE2 HIS 51 2HE HIS 51 18.386 16.155 -13.131 392 H VAL 52 H VAL 52 13.753 12.590 -8.262 393 HA VAL 52 HA VAL 52 11.579 12.161 -8.493 394 HB VAL 52 HB VAL 52 11.567 15.116 -7.830 395 1HG1 VAL 52 1HG1 VAL 52 9.765 12.882 -6.787 396 2HG1 VAL 52 2HG1 VAL 52 9.670 14.593 -6.375 397 3HG1 VAL 52 3HG1 VAL 52 9.246 14.063 -8.003 398 1HG2 VAL 52 1HG2 VAL 52 12.276 12.660 -6.193 399 2HG2 VAL 52 2HG2 VAL 52 13.230 14.146 -6.455 400 3HG2 VAL 52 3HG2 VAL 52 11.778 14.185 -5.454 401 H HIS 53 H HIS 53 12.236 12.063 -11.047 402 HA HIS 53 HA HIS 53 10.650 13.959 -12.606 403 1HB HIS 53 1HB HIS 53 12.989 12.597 -13.121 404 2HB HIS 53 2HB HIS 53 11.846 11.575 -13.968 405 HD1 HIS 53 1HD HIS 53 12.574 12.379 -16.483 406 HD2 HIS 53 2HD HIS 53 11.610 15.486 -13.743 407 HE1 HIS 53 1HE HIS 53 12.476 14.556 -17.796 408 HE2 HIS 53 2HE HIS 53 11.901 16.419 -16.183 409 H GLY 54 H GLY 54 8.968 12.863 -10.842 410 1HA GLY 54 1HA GLY 54 6.962 11.752 -10.619 411 2HA GLY 54 2HA GLY 54 6.914 11.724 -12.385 412 H ALA 55 H ALA 55 9.468 10.172 -10.513 413 HA ALA 55 HA ALA 55 8.777 7.605 -11.826 414 1HB ALA 55 1HB ALA 55 11.121 7.015 -11.375 415 2HB ALA 55 2HB ALA 55 10.950 8.482 -12.355 416 3HB ALA 55 3HB ALA 55 11.379 8.614 -10.634 417 H VAL 56 H VAL 56 8.704 9.059 -8.641 418 HA VAL 56 HA VAL 56 9.099 6.844 -6.976 419 HB VAL 56 HB VAL 56 7.383 9.301 -6.832 420 1HG1 VAL 56 1HG1 VAL 56 5.729 7.888 -5.886 421 2HG1 VAL 56 2HG1 VAL 56 6.945 7.071 -4.871 422 3HG1 VAL 56 3HG1 VAL 56 6.519 8.759 -4.574 423 1HG2 VAL 56 1HG2 VAL 56 9.425 8.195 -4.908 424 2HG2 VAL 56 2HG2 VAL 56 9.695 9.444 -6.153 425 3HG2 VAL 56 3HG2 VAL 56 8.618 9.767 -4.794 426 HA PRO 57 HA PRO 57 4.585 5.340 -7.808 427 1HB PRO 57 1HB PRO 57 3.559 6.476 -10.247 428 2HB PRO 57 2HB PRO 57 2.947 6.745 -8.578 429 1HG PRO 57 1HG PRO 57 4.107 8.690 -10.200 430 2HG PRO 57 2HG PRO 57 3.834 8.769 -8.430 431 1HD PRO 57 1HD PRO 57 6.320 8.105 -9.929 432 2HD PRO 57 2HD PRO 57 6.103 8.930 -8.368 433 H ASN 58 H ASN 58 6.787 6.083 -10.525 434 HA ASN 58 HA ASN 58 5.782 4.002 -12.271 435 1HB ASN 58 1HB ASN 58 7.143 6.052 -12.992 436 2HB ASN 58 2HB ASN 58 8.558 5.228 -12.329 437 1HD2 ASN 58 1HD2 ASN 58 6.061 5.130 -14.964 438 2HD2 ASN 58 2HD2 ASN 58 7.149 4.174 -15.955 439 H PHE 59 H PHE 59 8.276 4.169 -9.730 440 HA PHE 59 HA PHE 59 9.212 1.470 -9.898 441 1HB PHE 59 1HB PHE 59 10.443 2.889 -8.493 442 2HB PHE 59 2HB PHE 59 9.024 3.583 -7.753 443 HD1 PHE 59 1HD PHE 59 8.705 3.092 -5.496 444 HD2 PHE 59 2HD PHE 59 10.507 0.109 -8.038 445 HE1 PHE 59 1HE PHE 59 9.141 1.639 -3.512 446 HE2 PHE 59 2HE PHE 59 10.857 -1.350 -6.061 447 HZ PHE 59 HZ PHE 59 10.162 -0.572 -3.795 448 H VAL 60 H VAL 60 6.651 2.771 -7.647 449 HA VAL 60 HA VAL 60 6.004 0.149 -6.836 450 HB VAL 60 HB VAL 60 3.811 1.249 -6.019 451 1HG1 VAL 60 1HG1 VAL 60 5.012 2.067 -4.089 452 2HG1 VAL 60 2HG1 VAL 60 6.023 0.753 -4.712 453 3HG1 VAL 60 3HG1 VAL 60 6.470 2.401 -5.076 454 1HG2 VAL 60 1HG2 VAL 60 5.335 3.784 -6.541 455 2HG2 VAL 60 2HG2 VAL 60 3.894 3.234 -7.455 456 3HG2 VAL 60 3HG2 VAL 60 3.775 3.563 -5.723 457 H LYS 61 H LYS 61 4.670 1.924 -9.501 458 HA LYS 61 HA LYS 61 2.533 0.159 -10.080 459 1HB LYS 61 1HB LYS 61 2.904 2.447 -11.055 460 2HB LYS 61 2HB LYS 61 4.184 1.810 -12.059 461 1HG LYS 61 1HG LYS 61 1.633 0.298 -12.230 462 2HG LYS 61 2HG LYS 61 1.416 1.954 -12.709 463 1HD LYS 61 1HD LYS 61 2.730 1.600 -14.649 464 2HD LYS 61 2HD LYS 61 3.835 0.482 -13.817 465 1HE LYS 61 1HE LYS 61 1.934 -1.208 -13.739 466 2HE LYS 61 2HE LYS 61 1.052 -0.147 -14.847 467 1HZ LYS 61 1HZ LYS 61 3.004 -0.393 -16.368 468 2HZ LYS 61 2HZ LYS 61 3.612 -1.546 -15.334 469 3HZ LYS 61 3HZ LYS 61 2.187 -1.776 -16.076 470 H GLU 62 H GLU 62 5.941 -0.395 -10.444 471 HA GLU 62 HA GLU 62 5.480 -2.738 -12.155 472 1HB GLU 62 1HB GLU 62 7.679 -2.934 -12.404 473 2HB GLU 62 2HB GLU 62 7.623 -1.226 -12.047 474 1HG GLU 62 1HG GLU 62 9.152 -1.512 -10.461 475 2HG GLU 62 2HG GLU 62 8.072 -2.537 -9.532 476 H LYS 63 H LYS 63 5.206 -2.053 -8.761 477 HA LYS 63 HA LYS 63 6.027 -4.734 -7.879 478 1HB LYS 63 1HB LYS 63 4.782 -2.463 -6.285 479 2HB LYS 63 2HB LYS 63 5.645 -3.843 -5.635 480 1HG LYS 63 1HG LYS 63 6.909 -1.674 -7.351 481 2HG LYS 63 2HG LYS 63 6.936 -1.700 -5.592 482 1HD LYS 63 1HD LYS 63 8.099 -3.883 -7.347 483 2HD LYS 63 2HD LYS 63 8.999 -2.484 -6.779 484 1HE LYS 63 1HE LYS 63 8.368 -3.164 -4.379 485 2HE LYS 63 2HE LYS 63 7.700 -4.645 -5.076 486 1HZ LYS 63 1HZ LYS 63 10.011 -4.910 -6.089 487 2HZ LYS 63 2HZ LYS 63 10.530 -3.866 -4.897 488 3HZ LYS 63 3HZ LYS 63 9.783 -5.278 -4.523 489 H GLY 64 H GLY 64 3.835 -4.705 -9.639 490 1HA GLY 64 1HA GLY 64 1.874 -5.848 -9.990 491 2HA GLY 64 2HA GLY 64 2.436 -6.804 -8.644 492 H ALA 65 H ALA 65 1.525 -3.466 -7.936 493 HA ALA 65 HA ALA 65 -0.020 -4.506 -5.828 494 1HB ALA 65 1HB ALA 65 1.402 -2.550 -5.708 495 2HB ALA 65 2HB ALA 65 0.322 -1.634 -6.788 496 3HB ALA 65 3HB ALA 65 -0.240 -2.159 -5.169 497 H GLU 66 H GLU 66 -2.204 -3.518 -5.158 498 HA GLU 66 HA GLU 66 -4.125 -3.136 -7.391 499 1HB GLU 66 1HB GLU 66 -4.104 -5.439 -5.478 500 2HB GLU 66 2HB GLU 66 -5.646 -4.779 -6.011 501 1HG GLU 66 1HG GLU 66 -5.140 -5.196 -8.341 502 2HG GLU 66 2HG GLU 66 -3.507 -5.738 -7.951 503 H LEU 67 H LEU 67 -3.305 -2.890 -3.899 504 HA LEU 67 HA LEU 67 -5.292 -0.713 -3.786 505 1HB LEU 67 1HB LEU 67 -6.439 -2.576 -2.755 506 2HB LEU 67 2HB LEU 67 -5.021 -3.023 -1.818 507 HG LEU 67 HG LEU 67 -5.232 -1.051 -0.421 508 1HD1 LEU 67 1HD1 LEU 67 -7.922 -0.354 -1.618 509 2HD1 LEU 67 2HD1 LEU 67 -6.867 0.603 -0.574 510 3HD1 LEU 67 3HD1 LEU 67 -6.491 0.407 -2.285 511 1HD2 LEU 67 1HD2 LEU 67 -7.234 -1.695 0.767 512 2HD2 LEU 67 2HD2 LEU 67 -7.915 -2.448 -0.689 513 3HD2 LEU 67 3HD2 LEU 67 -6.508 -3.159 0.093 514 H VAL 68 H VAL 68 -4.836 0.878 -2.116 515 HA VAL 68 HA VAL 68 -2.126 1.018 -1.011 516 HB VAL 68 HB VAL 68 -3.281 3.248 -2.747 517 1HG1 VAL 68 1HG1 VAL 68 -0.567 2.532 -1.655 518 2HG1 VAL 68 2HG1 VAL 68 -0.692 3.652 -2.988 519 3HG1 VAL 68 3HG1 VAL 68 -1.478 4.038 -1.450 520 1HG2 VAL 68 1HG2 VAL 68 -1.914 2.622 -4.622 521 2HG2 VAL 68 2HG2 VAL 68 -1.332 1.155 -3.790 522 3HG2 VAL 68 3HG2 VAL 68 -3.035 1.337 -4.261 523 H ILE 69 H ILE 69 -2.426 1.798 1.087 524 HA ILE 69 HA ILE 69 -4.923 3.287 1.728 525 HB ILE 69 HB ILE 69 -3.321 1.379 3.462 526 1HG1 ILE 69 1HG1 ILE 69 -6.164 1.060 2.399 527 2HG1 ILE 69 2HG1 ILE 69 -4.759 0.260 1.714 528 1HG2 ILE 69 1HG2 ILE 69 -5.692 3.211 4.011 529 2HG2 ILE 69 2HG2 ILE 69 -5.333 1.804 5.015 530 3HG2 ILE 69 3HG2 ILE 69 -4.140 3.078 4.896 531 1HD1 ILE 69 1HD1 ILE 69 -5.747 -1.348 3.130 532 2HD1 ILE 69 2HD1 ILE 69 -4.329 -0.756 4.029 533 3HD1 ILE 69 3HD1 ILE 69 -5.953 -0.204 4.461 534 H VAL 70 H VAL 70 -4.350 5.374 1.805 535 HA VAL 70 HA VAL 70 -1.808 6.241 3.090 536 HB VAL 70 HB VAL 70 -1.938 8.179 1.520 537 1HG1 VAL 70 1HG1 VAL 70 -1.178 7.023 -0.441 538 2HG1 VAL 70 2HG1 VAL 70 -0.630 6.135 0.975 539 3HG1 VAL 70 3HG1 VAL 70 -2.023 5.550 0.039 540 1HG2 VAL 70 1HG2 VAL 70 -4.231 6.654 0.203 541 2HG2 VAL 70 2HG2 VAL 70 -4.362 8.217 1.046 542 3HG2 VAL 70 3HG2 VAL 70 -3.427 8.059 -0.453 543 H ARG 71 H ARG 71 -1.919 8.643 3.680 544 HA ARG 71 HA ARG 71 -4.507 9.298 5.020 545 1HB ARG 71 1HB ARG 71 -1.787 10.597 5.410 546 2HB ARG 71 2HB ARG 71 -3.282 10.994 6.265 547 1HG ARG 71 1HG ARG 71 -3.242 8.416 6.873 548 2HG ARG 71 2HG ARG 71 -1.565 8.509 6.413 549 1HD ARG 71 1HD ARG 71 -1.667 8.741 8.702 550 2HD ARG 71 2HD ARG 71 -1.247 10.351 8.186 551 HE ARG 71 HE ARG 71 -3.903 9.318 9.072 552 1HH1 ARG 71 2HH2 ARG 71 -1.810 12.205 9.126 553 2HH1 ARG 71 1HH2 ARG 71 -3.125 13.272 9.437 554 1HH2 ARG 71 2HH1 ARG 71 -5.467 10.629 9.995 555 2HH2 ARG 71 1HH1 ARG 71 -5.147 12.275 10.329 556 H GLY 72 H GLY 72 -2.180 11.644 3.956 557 1HA GLY 72 1HA GLY 72 -4.354 13.155 2.766 558 2HA GLY 72 2HA GLY 72 -2.683 13.683 2.965 559 H ILE 73 H ILE 73 -1.414 11.671 1.430 560 HA ILE 73 HA ILE 73 -0.495 11.631 -0.638 561 HB ILE 73 HB ILE 73 -1.993 9.783 -0.587 562 1HG1 ILE 73 1HG1 ILE 73 -2.217 10.552 -3.461 563 2HG1 ILE 73 2HG1 ILE 73 -0.605 10.629 -2.736 564 1HG2 ILE 73 1HG2 ILE 73 -4.245 10.617 -0.476 565 2HG2 ILE 73 2HG2 ILE 73 -4.088 11.486 -2.018 566 3HG2 ILE 73 3HG2 ILE 73 -4.109 9.727 -2.002 567 1HD1 ILE 73 1HD1 ILE 73 -2.452 8.229 -2.667 568 2HD1 ILE 73 2HD1 ILE 73 -1.110 8.466 -3.811 569 3HD1 ILE 73 3HD1 ILE 73 -0.776 8.279 -2.093 570 H GLY 74 H GLY 74 -2.351 12.190 -3.151 571 1HA GLY 74 1HA GLY 74 -3.150 14.843 -3.304 572 2HA GLY 74 2HA GLY 74 -1.488 14.740 -3.926 573 H ARG 75 H ARG 75 -3.942 15.293 -5.529 574 HA ARG 75 HA ARG 75 -4.891 12.981 -6.835 575 1HB ARG 75 1HB ARG 75 -6.049 15.124 -6.917 576 2HB ARG 75 2HB ARG 75 -4.707 15.855 -7.786 577 1HG ARG 75 1HG ARG 75 -6.493 15.434 -9.336 578 2HG ARG 75 2HG ARG 75 -5.143 14.401 -9.738 579 1HD ARG 75 1HD ARG 75 -6.498 12.643 -9.717 580 2HD ARG 75 2HD ARG 75 -6.758 12.844 -7.984 581 HE ARG 75 HE ARG 75 -8.545 14.624 -9.116 582 1HH1 ARG 75 2HH2 ARG 75 -7.948 11.162 -9.766 583 2HH1 ARG 75 1HH2 ARG 75 -9.629 10.817 -9.840 584 1HH2 ARG 75 2HH1 ARG 75 -10.790 14.002 -9.891 585 2HH2 ARG 75 1HH1 ARG 75 -11.143 12.326 -9.851 586 H ARG 76 H ARG 76 -2.023 14.964 -7.590 587 HA ARG 76 HA ARG 76 -1.215 13.715 -9.943 588 1HB ARG 76 1HB ARG 76 1.039 14.362 -9.447 589 2HB ARG 76 2HB ARG 76 -0.101 15.614 -8.954 590 1HG ARG 76 1HG ARG 76 0.019 14.303 -6.602 591 2HG ARG 76 2HG ARG 76 1.522 13.653 -7.230 592 1HD ARG 76 1HD ARG 76 0.798 16.627 -7.404 593 2HD ARG 76 2HD ARG 76 1.223 15.981 -5.817 594 HE ARG 76 HE ARG 76 3.355 15.257 -7.408 595 1HH1 ARG 76 2HH2 ARG 76 1.821 18.424 -6.871 596 2HH1 ARG 76 1HH2 ARG 76 3.291 19.237 -6.599 597 1HH2 ARG 76 2HH1 ARG 76 5.392 16.510 -7.120 598 2HH2 ARG 76 1HH1 ARG 76 5.298 18.095 -6.455 599 H ALA 77 H ALA 77 -1.327 12.161 -6.760 600 HA ALA 77 HA ALA 77 0.413 9.977 -7.817 601 1HB ALA 77 1HB ALA 77 -0.594 10.609 -5.045 602 2HB ALA 77 2HB ALA 77 0.339 9.158 -5.489 603 3HB ALA 77 3HB ALA 77 1.066 10.772 -5.646 604 H ILE 78 H ILE 78 -2.899 10.802 -6.859 605 HA ILE 78 HA ILE 78 -4.097 8.254 -7.035 606 HB ILE 78 HB ILE 78 -5.058 11.022 -7.767 607 1HG1 ILE 78 1HG1 ILE 78 -4.693 10.469 -5.341 608 2HG1 ILE 78 2HG1 ILE 78 -6.320 10.990 -5.783 609 1HG2 ILE 78 1HG2 ILE 78 -7.370 10.075 -7.817 610 2HG2 ILE 78 2HG2 ILE 78 -6.350 9.739 -9.223 611 3HG2 ILE 78 3HG2 ILE 78 -6.617 8.475 -8.015 612 1HD1 ILE 78 1HD1 ILE 78 -5.661 8.054 -5.519 613 2HD1 ILE 78 2HD1 ILE 78 -6.173 9.061 -4.146 614 3HD1 ILE 78 3HD1 ILE 78 -7.243 8.842 -5.540 615 H ALA 79 H ALA 79 -3.190 10.631 -9.538 616 HA ALA 79 HA ALA 79 -4.032 9.433 -11.848 617 1HB ALA 79 1HB ALA 79 -1.363 10.841 -11.419 618 2HB ALA 79 2HB ALA 79 -2.256 10.715 -12.939 619 3HB ALA 79 3HB ALA 79 -2.924 11.672 -11.598 620 H ALA 80 H ALA 80 -1.177 8.317 -9.925 621 HA ALA 80 HA ALA 80 -0.084 6.822 -12.166 622 1HB ALA 80 1HB ALA 80 1.435 5.990 -10.452 623 2HB ALA 80 2HB ALA 80 1.366 7.768 -10.461 624 3HB ALA 80 3HB ALA 80 0.529 6.843 -9.185 625 H PHE 81 H PHE 81 -1.618 5.811 -8.947 626 HA PHE 81 HA PHE 81 -1.893 3.163 -9.616 627 1HB PHE 81 1HB PHE 81 -3.284 5.129 -7.777 628 2HB PHE 81 2HB PHE 81 -3.542 3.418 -7.651 629 HD1 PHE 81 1HD PHE 81 -1.072 2.024 -7.778 630 HD2 PHE 81 2HD PHE 81 -1.630 6.037 -6.319 631 HE1 PHE 81 1HE PHE 81 0.854 1.734 -6.279 632 HE2 PHE 81 2HE PHE 81 0.332 5.763 -4.843 633 HZ PHE 81 HZ PHE 81 1.544 3.579 -4.762 634 H GLU 82 H GLU 82 -3.957 5.995 -10.385 635 HA GLU 82 HA GLU 82 -6.226 4.623 -11.385 636 1HB GLU 82 1HB GLU 82 -4.800 7.214 -11.960 637 2HB GLU 82 2HB GLU 82 -6.080 6.689 -13.043 638 1HG GLU 82 1HG GLU 82 -6.759 6.555 -10.136 639 2HG GLU 82 2HG GLU 82 -6.462 8.149 -10.836 640 H ALA 83 H ALA 83 -2.913 4.909 -12.775 641 HA ALA 83 HA ALA 83 -3.829 4.384 -15.474 642 1HB ALA 83 1HB ALA 83 -1.753 5.664 -14.849 643 2HB ALA 83 2HB ALA 83 -1.039 4.126 -14.285 644 3HB ALA 83 3HB ALA 83 -1.483 4.324 -15.984 645 H MET 84 H MET 84 -3.195 2.472 -12.675 646 HA MET 84 HA MET 84 -3.013 -0.033 -14.292 647 1HB MET 84 1HB MET 84 -2.047 -0.924 -12.039 648 2HB MET 84 2HB MET 84 -1.010 -0.075 -13.189 649 1HG MET 84 1HG MET 84 -1.125 1.952 -11.883 650 2HG MET 84 2HG MET 84 -2.326 1.244 -10.823 651 1HE MET 84 1HE MET 84 0.412 -1.435 -11.546 652 2HE MET 84 2HE MET 84 0.906 -1.616 -9.861 653 3HE MET 84 3HE MET 84 -0.796 -1.802 -10.302 654 H GLY 85 H GLY 85 -5.328 1.757 -12.863 655 1HA GLY 85 1HA GLY 85 -7.389 1.246 -11.976 656 2HA GLY 85 2HA GLY 85 -7.113 -0.442 -12.431 657 H VAL 86 H VAL 86 -4.843 1.256 -10.330 658 HA VAL 86 HA VAL 86 -5.302 -0.694 -8.210 659 HB VAL 86 HB VAL 86 -3.163 1.518 -8.708 660 1HG1 VAL 86 1HG1 VAL 86 -2.077 0.451 -6.600 661 2HG1 VAL 86 2HG1 VAL 86 -3.477 1.520 -6.326 662 3HG1 VAL 86 3HG1 VAL 86 -3.656 -0.235 -6.229 663 1HG2 VAL 86 1HG2 VAL 86 -2.966 -0.664 -9.922 664 2HG2 VAL 86 2HG2 VAL 86 -1.801 -0.661 -8.575 665 3HG2 VAL 86 3HG2 VAL 86 -3.295 -1.557 -8.448 666 H LYS 87 H LYS 87 -6.684 -0.414 -6.707 667 HA LYS 87 HA LYS 87 -8.354 1.873 -6.242 668 1HB LYS 87 1HB LYS 87 -8.865 -0.553 -5.722 669 2HB LYS 87 2HB LYS 87 -7.795 -0.374 -4.315 670 1HG LYS 87 1HG LYS 87 -9.208 1.683 -3.709 671 2HG LYS 87 2HG LYS 87 -10.344 1.209 -4.962 672 1HD LYS 87 1HD LYS 87 -9.613 -0.887 -2.967 673 2HD LYS 87 2HD LYS 87 -10.387 0.556 -2.314 674 1HE LYS 87 1HE LYS 87 -12.164 -0.854 -2.669 675 2HE LYS 87 2HE LYS 87 -12.235 0.239 -4.044 676 1HZ LYS 87 1HZ LYS 87 -11.228 -1.512 -5.380 677 2HZ LYS 87 2HZ LYS 87 -11.023 -2.456 -4.036 678 3HZ LYS 87 3HZ LYS 87 -12.531 -2.137 -4.580 679 H VAL 88 H VAL 88 -8.190 3.505 -4.629 680 HA VAL 88 HA VAL 88 -5.832 3.455 -2.848 681 HB VAL 88 HB VAL 88 -6.824 5.875 -4.409 682 1HG1 VAL 88 1HG1 VAL 88 -6.046 6.454 -2.142 683 2HG1 VAL 88 2HG1 VAL 88 -4.554 5.541 -2.392 684 3HG1 VAL 88 3HG1 VAL 88 -4.886 7.012 -3.336 685 1HG2 VAL 88 1HG2 VAL 88 -5.506 4.329 -5.852 686 2HG2 VAL 88 2HG2 VAL 88 -4.653 5.815 -5.546 687 3HG2 VAL 88 3HG2 VAL 88 -4.199 4.330 -4.668 688 H ILE 89 H ILE 89 -6.389 3.762 -0.832 689 HA ILE 89 HA ILE 89 -9.106 4.667 -0.039 690 HB ILE 89 HB ILE 89 -7.237 2.433 0.799 691 1HG1 ILE 89 1HG1 ILE 89 -10.218 2.633 0.168 692 2HG1 ILE 89 2HG1 ILE 89 -8.961 1.949 -0.860 693 1HG2 ILE 89 1HG2 ILE 89 -7.860 3.694 2.901 694 2HG2 ILE 89 2HG2 ILE 89 -9.538 3.152 2.582 695 3HG2 ILE 89 3HG2 ILE 89 -8.262 1.976 2.845 696 1HD1 ILE 89 1HD1 ILE 89 -8.590 0.214 1.015 697 2HD1 ILE 89 2HD1 ILE 89 -10.119 0.812 1.698 698 3HD1 ILE 89 3HD1 ILE 89 -10.092 0.100 0.078 699 H LYS 90 H LYS 90 -9.081 6.381 1.503 700 HA LYS 90 HA LYS 90 -6.437 7.470 2.292 701 1HB LYS 90 1HB LYS 90 -8.727 9.022 1.073 702 2HB LYS 90 2HB LYS 90 -7.206 9.702 1.632 703 1HG LYS 90 1HG LYS 90 -6.476 9.587 -0.483 704 2HG LYS 90 2HG LYS 90 -6.355 7.844 -0.249 705 1HD LYS 90 1HD LYS 90 -7.630 8.275 -2.303 706 2HD LYS 90 2HD LYS 90 -8.698 7.598 -1.082 707 1HE LYS 90 1HE LYS 90 -10.061 9.314 -1.597 708 2HE LYS 90 2HE LYS 90 -9.045 10.237 -0.510 709 1HZ LYS 90 1HZ LYS 90 -7.829 11.023 -2.488 710 2HZ LYS 90 2HZ LYS 90 -8.849 10.135 -3.446 711 3HZ LYS 90 3HZ LYS 90 -9.438 11.358 -2.539 712 H GLY 91 H GLY 91 -6.506 8.259 4.367 713 1HA GLY 91 1HA GLY 91 -8.050 9.552 6.006 714 2HA GLY 91 2HA GLY 91 -9.180 8.237 5.725 715 H ALA 92 H ALA 92 -5.992 6.967 5.658 716 HA ALA 92 HA ALA 92 -6.638 5.442 8.007 717 1HB ALA 92 1HB ALA 92 -4.405 4.414 7.500 718 2HB ALA 92 2HB ALA 92 -5.471 4.525 6.090 719 3HB ALA 92 3HB ALA 92 -4.138 5.679 6.278 720 H SER 93 H SER 93 -4.844 5.114 9.798 721 HA SER 93 HA SER 93 -2.749 6.902 10.004 722 1HB SER 93 1HB SER 93 -3.339 7.633 12.439 723 2HB SER 93 2HB SER 93 -3.895 8.589 11.073 724 HG SER 93 HG SER 93 -5.919 7.404 11.243 725 H GLY 94 H GLY 94 -1.338 6.114 11.815 726 1HA GLY 94 1HA GLY 94 -1.009 4.669 13.714 727 2HA GLY 94 2HA GLY 94 -2.276 3.589 13.128 728 H THR 95 H THR 95 -0.690 1.849 13.470 729 HA THR 95 HA THR 95 1.711 1.863 11.816 730 HB THR 95 HB THR 95 1.589 -0.655 12.891 731 HG1 THR 95 1HG THR 95 0.266 -0.819 14.532 732 1HG2 THR 95 1HG2 THR 95 2.820 0.293 14.838 733 2HG2 THR 95 2HG2 THR 95 3.316 0.993 13.275 734 3HG2 THR 95 3HG2 THR 95 2.267 1.924 14.351 735 H VAL 96 H VAL 96 2.234 0.024 10.396 736 HA VAL 96 HA VAL 96 0.348 -0.360 8.362 737 HB VAL 96 HB VAL 96 2.872 -1.779 9.254 738 1HG1 VAL 96 1HG1 VAL 96 1.147 -2.703 6.943 739 2HG1 VAL 96 2HG1 VAL 96 2.875 -3.094 7.112 740 3HG1 VAL 96 3HG1 VAL 96 1.715 -3.666 8.317 741 1HG2 VAL 96 1HG2 VAL 96 3.779 -0.823 7.258 742 2HG2 VAL 96 2HG2 VAL 96 2.173 -0.324 6.692 743 3HG2 VAL 96 3HG2 VAL 96 2.881 0.443 8.124 744 H GLU 97 H GLU 97 1.162 -2.518 11.107 745 HA GLU 97 HA GLU 97 -0.658 -4.541 10.394 746 1HB GLU 97 1HB GLU 97 -0.528 -5.230 12.821 747 2HB GLU 97 2HB GLU 97 1.008 -5.089 11.970 748 1HG GLU 97 1HG GLU 97 1.605 -3.093 13.117 749 2HG GLU 97 2HG GLU 97 -0.047 -2.789 13.646 750 H GLU 98 H GLU 98 -1.321 -1.446 11.873 751 HA GLU 98 HA GLU 98 -3.948 -2.188 12.996 752 1HB GLU 98 1HB GLU 98 -2.477 -0.559 14.175 753 2HB GLU 98 2HB GLU 98 -2.491 0.479 12.758 754 1HG GLU 98 1HG GLU 98 -4.009 1.468 14.221 755 2HG GLU 98 2HG GLU 98 -5.016 0.680 13.021 756 H VAL 99 H VAL 99 -2.595 -0.008 10.433 757 HA VAL 99 HA VAL 99 -4.977 0.786 9.253 758 HB VAL 99 HB VAL 99 -2.154 0.352 8.175 759 1HG1 VAL 99 1HG1 VAL 99 -4.424 1.842 6.904 760 2HG1 VAL 99 2HG1 VAL 99 -2.727 1.882 6.343 761 3HG1 VAL 99 3HG1 VAL 99 -3.649 0.378 6.239 762 1HG2 VAL 99 1HG2 VAL 99 -3.691 2.886 8.899 763 2HG2 VAL 99 2HG2 VAL 99 -2.487 2.141 9.960 764 3HG2 VAL 99 3HG2 VAL 99 -1.995 2.800 8.392 765 H VAL 100 H VAL 100 -3.055 -2.128 8.565 766 HA VAL 100 HA VAL 100 -4.688 -2.959 6.309 767 HB VAL 100 HB VAL 100 -2.720 -4.517 8.047 768 1HG1 VAL 100 1HG1 VAL 100 -4.246 -6.140 7.039 769 2HG1 VAL 100 2HG1 VAL 100 -4.121 -5.344 5.457 770 3HG1 VAL 100 3HG1 VAL 100 -2.719 -6.181 6.155 771 1HG2 VAL 100 1HG2 VAL 100 -1.231 -4.320 6.088 772 2HG2 VAL 100 2HG2 VAL 100 -2.476 -3.408 5.203 773 3HG2 VAL 100 3HG2 VAL 100 -1.710 -2.720 6.642 774 H ASN 101 H ASN 101 -4.726 -3.667 9.834 775 HA ASN 101 HA ASN 101 -6.889 -5.576 9.721 776 1HB ASN 101 1HB ASN 101 -5.650 -5.552 11.734 777 2HB ASN 101 2HB ASN 101 -5.704 -3.799 11.884 778 1HD2 ASN 101 1HD2 ASN 101 -7.358 -6.750 12.806 779 2HD2 ASN 101 2HD2 ASN 101 -8.736 -5.898 13.496 780 H GLN 102 H GLN 102 -6.862 -2.023 10.272 781 HA GLN 102 HA GLN 102 -9.562 -1.705 10.749 782 1HB GLN 102 1HB GLN 102 -7.698 0.197 9.309 783 2HB GLN 102 2HB GLN 102 -9.268 0.632 9.969 784 1HG GLN 102 1HG GLN 102 -7.450 -0.760 11.904 785 2HG GLN 102 2HG GLN 102 -6.841 0.755 11.298 786 1HE2 GLN 102 1HE2 GLN 102 -7.763 -0.116 14.022 787 2HE2 GLN 102 2HE2 GLN 102 -9.113 0.893 14.478 788 H TYR 103 H TYR 103 -7.917 -1.720 7.583 789 HA TYR 103 HA TYR 103 -10.256 -1.323 5.956 790 1HB TYR 103 1HB TYR 103 -8.133 -0.819 5.118 791 2HB TYR 103 2HB TYR 103 -7.464 -2.389 5.509 792 HD1 TYR 103 1HD TYR 103 -10.327 -0.950 3.473 793 HD2 TYR 103 2HD TYR 103 -7.221 -3.947 3.776 794 HE1 TYR 103 1HE TYR 103 -11.054 -1.939 1.330 795 HE2 TYR 103 2HE TYR 103 -7.948 -4.917 1.609 796 HH TYR 103 HH TYR 103 -10.959 -4.307 0.300 797 H LEU 104 H LEU 104 -8.382 -4.327 6.800 798 HA LEU 104 HA LEU 104 -10.126 -5.984 5.242 799 1HB LEU 104 1HB LEU 104 -8.198 -6.582 7.528 800 2HB LEU 104 2HB LEU 104 -9.075 -7.844 6.692 801 HG LEU 104 HG LEU 104 -7.061 -5.933 5.418 802 1HD1 LEU 104 1HD1 LEU 104 -6.110 -7.723 6.872 803 2HD1 LEU 104 2HD1 LEU 104 -6.930 -8.938 5.871 804 3HD1 LEU 104 3HD1 LEU 104 -5.659 -7.911 5.170 805 1HD2 LEU 104 1HD2 LEU 104 -8.702 -6.436 3.721 806 2HD2 LEU 104 2HD2 LEU 104 -7.249 -7.380 3.399 807 3HD2 LEU 104 3HD2 LEU 104 -8.671 -8.169 4.132 808 H SER 105 H SER 105 -10.362 -4.693 8.471 809 HA SER 105 HA SER 105 -12.597 -6.436 9.270 810 1HB SER 105 1HB SER 105 -11.243 -4.071 10.596 811 2HB SER 105 2HB SER 105 -12.622 -4.952 11.282 812 HG SER 105 HG SER 105 -10.610 -5.763 12.004 813 H GLY 106 H GLY 106 -12.312 -3.857 7.143 814 1HA GLY 106 1HA GLY 106 -13.924 -2.995 5.855 815 2HA GLY 106 2HA GLY 106 -15.146 -3.760 6.877 816 H GLN 107 H GLN 107 -12.890 -1.633 8.520 817 HA GLN 107 HA GLN 107 -15.142 0.205 9.113 818 1HB GLN 107 1HB GLN 107 -12.280 0.234 10.186 819 2HB GLN 107 2HB GLN 107 -13.688 1.111 10.801 820 1HG GLN 107 1HG GLN 107 -14.653 -1.393 11.003 821 2HG GLN 107 2HG GLN 107 -12.934 -1.780 11.092 822 1HE2 GLN 107 1HE2 GLN 107 -15.424 -1.464 13.051 823 2HE2 GLN 107 2HE2 GLN 107 -14.721 -0.635 14.437 824 H LEU 108 H LEU 108 -12.119 0.073 7.326 825 HA LEU 108 HA LEU 108 -11.640 2.855 7.540 826 1HB LEU 108 1HB LEU 108 -10.075 0.767 7.177 827 2HB LEU 108 2HB LEU 108 -10.334 1.082 5.459 828 HG LEU 108 HG LEU 108 -9.404 3.340 5.790 829 1HD1 LEU 108 1HD1 LEU 108 -9.914 3.792 8.181 830 2HD1 LEU 108 2HD1 LEU 108 -8.825 2.483 8.661 831 3HD1 LEU 108 3HD1 LEU 108 -8.201 3.941 7.876 832 1HD2 LEU 108 1HD2 LEU 108 -7.904 1.532 5.141 833 2HD2 LEU 108 2HD2 LEU 108 -7.066 2.668 6.217 834 3HD2 LEU 108 3HD2 LEU 108 -7.634 1.110 6.844 835 H LYS 109 H LYS 109 -11.126 4.261 5.451 836 HA LYS 109 HA LYS 109 -13.481 4.116 3.642 837 1HB LYS 109 1HB LYS 109 -14.040 6.422 4.001 838 2HB LYS 109 2HB LYS 109 -14.136 5.578 5.522 839 1HG LYS 109 1HG LYS 109 -11.552 7.026 4.855 840 2HG LYS 109 2HG LYS 109 -12.953 7.995 5.237 841 1HD LYS 109 1HD LYS 109 -12.075 5.753 7.083 842 2HD LYS 109 2HD LYS 109 -11.334 7.365 7.134 843 1HE LYS 109 1HE LYS 109 -13.449 8.428 7.590 844 2HE LYS 109 2HE LYS 109 -14.338 6.915 7.358 845 1HZ LYS 109 1HZ LYS 109 -13.618 6.115 9.361 846 2HZ LYS 109 2HZ LYS 109 -12.260 7.061 9.417 847 3HZ LYS 109 3HZ LYS 109 -13.739 7.721 9.696 848 H ASP 110 H ASP 110 -13.364 5.875 1.903 849 HA ASP 110 HA ASP 110 -10.605 6.079 0.866 850 1HB ASP 110 1HB ASP 110 -11.605 5.677 -1.354 851 2HB ASP 110 2HB ASP 110 -11.871 4.340 -0.240 852 H SER 111 H SER 111 -12.535 7.925 2.322 853 HA SER 111 HA SER 111 -13.684 9.872 2.126 854 1HB SER 111 1HB SER 111 -12.182 11.698 2.080 855 2HB SER 111 2HB SER 111 -11.402 10.322 2.875 856 HG SER 111 HG SER 111 -11.063 11.145 0.208 857 H ASP 112 H ASP 112 -14.488 8.423 0.005 858 HA ASP 112 HA ASP 112 -15.840 8.598 -1.682 859 1HB ASP 112 1HB ASP 112 -17.445 10.269 -1.605 860 2HB ASP 112 2HB ASP 112 -16.818 10.267 0.035 861 H TYR 113 H TYR 113 -13.195 8.986 -2.306 862 HA TYR 113 HA TYR 113 -12.979 10.736 -4.632 863 1HB TYR 113 1HB TYR 113 -10.983 10.414 -3.739 864 2HB TYR 113 2HB TYR 113 -11.393 8.853 -3.024 865 HD1 TYR 113 1HD TYR 113 -10.459 6.930 -3.795 866 HD2 TYR 113 2HD TYR 113 -10.751 10.328 -6.438 867 HE1 TYR 113 1HE TYR 113 -9.114 5.721 -5.488 868 HE2 TYR 113 2HE TYR 113 -9.494 9.097 -8.160 869 HH TYR 113 HH TYR 113 -8.138 5.830 -7.585 870 H GLU 114 H GLU 114 -13.916 10.343 -6.505 871 HA GLU 114 HA GLU 114 -15.014 7.792 -7.205 872 1HB GLU 114 1HB GLU 114 -15.494 8.815 -9.391 873 2HB GLU 114 2HB GLU 114 -16.095 9.753 -8.033 874 1HG GLU 114 1HG GLU 114 -15.051 11.562 -8.710 875 2HG GLU 114 2HG GLU 114 -13.492 10.785 -8.600 876 H VAL 115 H VAL 115 -13.792 6.043 -7.782 877 HA VAL 115 HA VAL 115 -11.093 6.490 -8.790 878 HB VAL 115 HB VAL 115 -11.437 4.862 -7.116 879 1HG1 VAL 115 1HG1 VAL 115 -13.660 4.032 -7.410 880 2HG1 VAL 115 2HG1 VAL 115 -13.306 3.380 -9.013 881 3HG1 VAL 115 3HG1 VAL 115 -12.537 2.680 -7.584 882 1HG2 VAL 115 1HG2 VAL 115 -10.160 3.090 -8.047 883 2HG2 VAL 115 2HG2 VAL 115 -10.685 3.484 -9.707 884 3HG2 VAL 115 3HG2 VAL 115 -9.681 4.618 -8.837 885 H HIS 116 H HIS 116 -11.922 7.734 -10.526 886 HA HIS 116 HA HIS 116 -12.400 8.256 -12.620 887 1HB HIS 116 1HB HIS 116 -10.756 6.719 -13.444 888 2HB HIS 116 2HB HIS 116 -11.832 5.345 -13.236 889 HD1 HIS 116 1HD HIS 116 -13.366 8.449 -14.972 890 HD2 HIS 116 2HD HIS 116 -11.466 4.754 -15.862 891 HE1 HIS 116 1HE HIS 116 -13.829 7.971 -17.382 892 HE2 HIS 116 2HE HIS 116 -12.666 5.740 -17.982 893 H ASP 117 H ASP 117 -14.440 8.974 -12.567 894 HA ASP 117 HA ASP 117 -16.826 7.523 -12.280 895 1HB ASP 117 1HB ASP 117 -16.969 9.869 -12.250 896 2HB ASP 117 2HB ASP 117 -16.134 10.046 -13.799 897 H HIS 118 H HIS 118 -17.413 5.725 -13.348 898 HA HIS 118 HA HIS 118 -17.934 5.739 -16.121 899 1HB HIS 118 1HB HIS 118 -16.715 3.622 -16.695 900 2HB HIS 118 2HB HIS 118 -15.711 5.048 -16.539 901 HD1 HIS 118 1HD HIS 118 -13.909 2.809 -16.483 902 HD2 HIS 118 2HD HIS 118 -16.058 3.988 -13.034 903 HE1 HIS 118 1HE HIS 118 -12.402 2.350 -14.445 904 HE2 HIS 118 2HE HIS 118 -13.709 3.166 -12.377 905 H HIS 119 H HIS 119 -19.285 3.886 -16.667 906 HA HIS 119 HA HIS 119 -21.328 3.419 -15.006 907 1HB HIS 119 1HB HIS 119 -20.203 1.399 -16.992 908 2HB HIS 119 2HB HIS 119 -21.768 1.229 -16.217 909 HD1 HIS 119 1HD HIS 119 -23.066 4.085 -16.582 910 HD2 HIS 119 2HD HIS 119 -20.912 1.856 -19.470 911 HE1 HIS 119 1HE HIS 119 -23.955 4.779 -18.858 912 HE2 HIS 119 2HE HIS 119 -22.619 3.477 -20.630 913 H HIS 120 H HIS 120 -21.725 2.544 -13.104 914 HA HIS 120 HA HIS 120 -19.720 1.025 -11.712 915 1HB HIS 120 1HB HIS 120 -21.753 2.799 -11.004 916 2HB HIS 120 2HB HIS 120 -22.375 1.300 -10.395 917 HD1 HIS 120 1HD HIS 120 -21.143 0.391 -8.217 918 HD2 HIS 120 2HD HIS 120 -19.470 3.818 -10.061 919 HE1 HIS 120 1HE HIS 120 -19.394 1.377 -6.554 920 HE2 HIS 120 2HE HIS 120 -18.398 3.436 -7.677 921 H HIS 121 H HIS 121 -19.716 -0.690 -13.361 922 HA HIS 121 HA HIS 121 -20.119 -2.678 -14.238 923 1HB HIS 121 1HB HIS 121 -20.240 -3.323 -11.728 924 2HB HIS 121 2HB HIS 121 -21.986 -3.400 -11.951 925 HD1 HIS 121 1HD HIS 121 -22.456 -6.074 -11.988 926 HD2 HIS 121 2HD HIS 121 -19.210 -4.732 -14.394 927 HE1 HIS 121 1HE HIS 121 -21.662 -8.041 -13.335 928 HE2 HIS 121 2HE HIS 121 -19.766 -7.258 -14.820 929 H GLU 122 H GLU 122 -22.476 -4.213 -14.599 930 HA GLU 122 HA GLU 122 -24.350 -2.836 -16.133 931 1HB GLU 122 1HB GLU 122 -24.753 -5.124 -14.144 932 2HB GLU 122 2HB GLU 122 -26.010 -4.506 -15.206 933 1HG GLU 122 1HG GLU 122 -25.296 -6.331 -16.391 934 2HG GLU 122 2HG GLU 122 -24.402 -5.025 -17.173 935 H HIS 123 H HIS 123 -26.253 -1.671 -15.601 936 HA HIS 123 HA HIS 123 -25.889 0.010 -13.214 937 1HB HIS 123 1HB HIS 123 -26.122 0.897 -15.661 938 2HB HIS 123 2HB HIS 123 -27.845 0.574 -15.443 939 HD1 HIS 123 1HD HIS 123 -25.106 3.085 -14.403 940 HD2 HIS 123 2HD HIS 123 -29.085 2.003 -13.381 941 HE1 HIS 123 1HE HIS 123 -25.928 4.802 -12.738 942 HE2 HIS 123 2HE HIS 123 -28.317 4.197 -12.116 943 H HIS 124 H HIS 124 -26.604 -2.346 -12.603 944 HA HIS 124 HA HIS 124 -27.970 -3.976 -11.909 945 1HB HIS 124 1HB HIS 124 -29.642 -2.218 -10.991 946 2HB HIS 124 2HB HIS 124 -30.432 -2.358 -12.574 947 HD1 HIS 124 1HD HIS 124 -29.416 -4.513 -9.582 948 HD2 HIS 124 2HD HIS 124 -31.914 -4.587 -12.980 949 HE1 HIS 124 1HE HIS 124 -30.790 -6.706 -9.437 950 HE2 HIS 124 2HE HIS 124 -32.305 -6.736 -11.529 Start of MODEL 22 1 1H MET 1 1H MET 1 -5.235 -9.399 -2.499 2 HA MET 1 HA MET 1 -4.366 -7.470 -4.534 3 1HB MET 1 1HB MET 1 -5.411 -5.726 -3.278 4 2HB MET 1 2HB MET 1 -6.565 -7.066 -3.402 5 1HG MET 1 1HG MET 1 -5.308 -7.598 -1.048 6 2HG MET 1 2HG MET 1 -5.283 -5.841 -1.053 7 1HE MET 1 1HE MET 1 -7.851 -4.524 -1.757 8 2HE MET 1 2HE MET 1 -8.286 -5.812 -2.904 9 3HE MET 1 3HE MET 1 -9.375 -5.432 -1.582 10 H ILE 2 H ILE 2 -2.726 -5.863 -3.865 11 HA ILE 2 HA ILE 2 -1.101 -6.585 -1.494 12 HB ILE 2 HB ILE 2 -0.026 -5.303 -4.016 13 1HG1 ILE 2 1HG1 ILE 2 0.083 -8.219 -3.160 14 2HG1 ILE 2 2HG1 ILE 2 -0.609 -7.527 -4.643 15 1HG2 ILE 2 1HG2 ILE 2 1.108 -4.839 -1.781 16 2HG2 ILE 2 2HG2 ILE 2 1.468 -6.541 -1.677 17 3HG2 ILE 2 3HG2 ILE 2 2.141 -5.568 -3.001 18 1HD1 ILE 2 1HD1 ILE 2 2.340 -7.730 -3.924 19 2HD1 ILE 2 2HD1 ILE 2 1.483 -8.558 -5.223 20 3HD1 ILE 2 3HD1 ILE 2 1.722 -6.805 -5.308 21 H ILE 3 H ILE 3 -0.654 -4.679 -0.301 22 HA ILE 3 HA ILE 3 -2.418 -2.339 -0.732 23 HB ILE 3 HB ILE 3 -1.839 -3.960 1.783 24 1HG1 ILE 3 1HG1 ILE 3 -4.586 -3.651 0.580 25 2HG1 ILE 3 2HG1 ILE 3 -3.484 -4.814 -0.095 26 1HG2 ILE 3 1HG2 ILE 3 -3.617 -1.517 1.336 27 2HG2 ILE 3 2HG2 ILE 3 -3.574 -2.488 2.829 28 3HG2 ILE 3 3HG2 ILE 3 -2.148 -1.585 2.327 29 1HD1 ILE 3 1HD1 ILE 3 -4.930 -5.830 1.648 30 2HD1 ILE 3 2HD1 ILE 3 -3.221 -5.871 2.162 31 3HD1 ILE 3 3HD1 ILE 3 -4.337 -4.667 2.839 32 H ALA 4 H ALA 4 -0.972 -0.853 -1.131 33 HA ALA 4 HA ALA 4 1.631 -0.737 0.366 34 1HB ALA 4 1HB ALA 4 0.684 0.857 -1.936 35 2HB ALA 4 2HB ALA 4 1.659 1.726 -0.724 36 3HB ALA 4 3HB ALA 4 2.306 0.295 -1.488 37 H ILE 5 H ILE 5 2.074 0.439 2.089 38 HA ILE 5 HA ILE 5 0.225 2.593 2.934 39 HB ILE 5 HB ILE 5 1.523 0.488 4.690 40 1HG1 ILE 5 1HG1 ILE 5 -1.399 1.339 4.546 41 2HG1 ILE 5 2HG1 ILE 5 -0.764 0.036 3.542 42 1HG2 ILE 5 1HG2 ILE 5 1.769 2.736 5.746 43 2HG2 ILE 5 2HG2 ILE 5 0.042 3.044 5.483 44 3HG2 ILE 5 3HG2 ILE 5 0.576 1.790 6.620 45 1HD1 ILE 5 1HD1 ILE 5 -0.117 -1.252 5.501 46 2HD1 ILE 5 2HD1 ILE 5 -0.753 0.019 6.572 47 3HD1 ILE 5 3HD1 ILE 5 -1.847 -0.860 5.499 48 HA PRO 6 HA PRO 6 4.416 4.402 2.525 49 1HB PRO 6 1HB PRO 6 3.696 7.032 2.894 50 2HB PRO 6 2HB PRO 6 3.491 6.176 1.340 51 1HG PRO 6 1HG PRO 6 1.422 6.795 3.426 52 2HG PRO 6 2HG PRO 6 1.269 6.830 1.645 53 1HD PRO 6 1HD PRO 6 0.444 4.741 3.301 54 2HD PRO 6 2HD PRO 6 0.837 4.539 1.566 55 H VAL 7 H VAL 7 5.845 4.525 4.273 56 HA VAL 7 HA VAL 7 4.649 5.168 6.933 57 HB VAL 7 HB VAL 7 6.173 3.511 7.935 58 1HG1 VAL 7 1HG1 VAL 7 4.788 1.608 7.443 59 2HG1 VAL 7 2HG1 VAL 7 3.816 3.046 7.660 60 3HG1 VAL 7 3HG1 VAL 7 4.104 2.394 6.015 61 1HG2 VAL 7 1HG2 VAL 7 7.817 3.188 6.211 62 2HG2 VAL 7 2HG2 VAL 7 7.042 1.645 6.538 63 3HG2 VAL 7 3HG2 VAL 7 6.598 2.533 5.076 64 H SER 8 H SER 8 6.170 5.809 8.512 65 HA SER 8 HA SER 8 7.814 7.928 7.386 66 1HB SER 8 1HB SER 8 7.587 7.365 10.347 67 2HB SER 8 2HB SER 8 7.696 8.910 9.505 68 HG SER 8 HG SER 8 5.449 7.135 9.540 69 H GLU 9 H GLU 9 8.319 4.740 8.937 70 HA GLU 9 HA GLU 9 11.224 4.895 8.778 71 1HB GLU 9 1HB GLU 9 9.642 4.551 11.371 72 2HB GLU 9 2HB GLU 9 11.305 3.983 11.167 73 1HG GLU 9 1HG GLU 9 12.064 6.278 10.672 74 2HG GLU 9 2HG GLU 9 10.404 6.868 10.845 75 H ASN 10 H ASN 10 12.092 2.780 8.978 76 HA ASN 10 HA ASN 10 10.446 0.743 7.684 77 1HB ASN 10 1HB ASN 10 12.717 1.568 6.919 78 2HB ASN 10 2HB ASN 10 13.441 0.788 8.310 79 1HD2 ASN 10 1HD2 ASN 10 12.387 -1.812 8.363 80 2HD2 ASN 10 2HD2 ASN 10 12.597 -2.534 6.761 81 H ARG 11 H ARG 11 9.207 0.546 9.799 82 HA ARG 11 HA ARG 11 10.704 -1.127 11.795 83 1HB ARG 11 1HB ARG 11 8.223 0.551 12.203 84 2HB ARG 11 2HB ARG 11 9.033 -0.395 13.419 85 1HG ARG 11 1HG ARG 11 11.140 1.042 12.715 86 2HG ARG 11 2HG ARG 11 9.950 2.107 11.978 87 1HD ARG 11 1HD ARG 11 8.807 2.491 14.055 88 2HD ARG 11 2HD ARG 11 9.728 1.248 14.893 89 HE ARG 11 HE ARG 11 10.734 3.906 13.975 90 1HH1 ARG 11 2HH2 ARG 11 11.496 0.925 15.852 91 2HH1 ARG 11 1HH2 ARG 11 12.833 1.710 16.640 92 1HH2 ARG 11 2HH1 ARG 11 12.249 4.841 15.093 93 2HH2 ARG 11 1HH1 ARG 11 13.110 4.082 16.432 94 H GLY 12 H GLY 12 9.818 -2.356 9.413 95 1HA GLY 12 1HA GLY 12 8.552 -4.039 8.509 96 2HA GLY 12 2HA GLY 12 8.449 -4.641 10.162 97 H LYS 13 H LYS 13 6.754 -3.814 11.483 98 HA LYS 13 HA LYS 13 4.171 -3.609 9.972 99 1HB LYS 13 1HB LYS 13 4.935 -5.258 12.423 100 2HB LYS 13 2HB LYS 13 3.320 -5.193 11.710 101 1HG LYS 13 1HG LYS 13 4.082 -6.147 9.655 102 2HG LYS 13 2HG LYS 13 5.788 -6.046 10.139 103 1HD LYS 13 1HD LYS 13 3.800 -7.688 11.686 104 2HD LYS 13 2HD LYS 13 4.702 -8.321 10.297 105 1HE LYS 13 1HE LYS 13 6.833 -7.810 11.380 106 2HE LYS 13 2HE LYS 13 6.002 -7.048 12.749 107 1HZ LYS 13 1HZ LYS 13 5.079 -9.168 13.322 108 2HZ LYS 13 2HZ LYS 13 5.702 -9.892 11.978 109 3HZ LYS 13 3HZ LYS 13 6.719 -9.361 13.137 110 H ASP 14 H ASP 14 5.919 -3.040 13.047 111 HA ASP 14 HA ASP 14 4.124 -1.072 14.072 112 1HB ASP 14 1HB ASP 14 6.320 -0.427 15.298 113 2HB ASP 14 2HB ASP 14 5.423 -1.828 15.755 114 H SER 15 H SER 15 5.894 -1.013 11.236 115 HA SER 15 HA SER 15 6.972 1.491 10.790 116 1HB SER 15 1HB SER 15 5.162 -0.010 8.982 117 2HB SER 15 2HB SER 15 6.412 1.215 8.588 118 HG SER 15 HG SER 15 6.766 -1.291 8.608 119 HA PRO 16 HA PRO 16 3.291 3.790 11.986 120 1HB PRO 16 1HB PRO 16 4.459 6.266 12.365 121 2HB PRO 16 2HB PRO 16 4.571 4.923 13.545 122 1HG PRO 16 1HG PRO 16 6.604 5.781 11.473 123 2HG PRO 16 2HG PRO 16 6.875 5.362 13.192 124 1HD PRO 16 1HD PRO 16 7.293 3.593 11.139 125 2HD PRO 16 2HD PRO 16 6.740 3.084 12.752 126 H ILE 17 H ILE 17 1.833 4.528 10.502 127 HA ILE 17 HA ILE 17 2.487 4.903 7.826 128 HB ILE 17 HB ILE 17 0.268 4.268 8.671 129 1HG1 ILE 17 1HG1 ILE 17 0.108 6.742 6.892 130 2HG1 ILE 17 2HG1 ILE 17 0.672 5.168 6.341 131 1HG2 ILE 17 1HG2 ILE 17 -0.228 7.205 9.277 132 2HG2 ILE 17 2HG2 ILE 17 -1.276 5.785 9.576 133 3HG2 ILE 17 3HG2 ILE 17 0.190 6.017 10.521 134 1HD1 ILE 17 1HD1 ILE 17 -2.107 5.779 7.394 135 2HD1 ILE 17 2HD1 ILE 17 -1.641 5.460 5.711 136 3HD1 ILE 17 3HD1 ILE 17 -1.514 4.167 6.915 137 H SER 18 H SER 18 2.925 6.580 6.516 138 HA SER 18 HA SER 18 4.065 8.974 7.710 139 1HB SER 18 1HB SER 18 4.789 7.586 5.529 140 2HB SER 18 2HB SER 18 3.525 8.623 4.797 141 HG SER 18 HG SER 18 5.508 9.856 6.335 142 H GLU 19 H GLU 19 3.530 11.078 6.636 143 HA GLU 19 HA GLU 19 0.714 11.574 6.935 144 1HB GLU 19 1HB GLU 19 2.834 13.414 5.819 145 2HB GLU 19 2HB GLU 19 1.355 13.948 6.545 146 1HG GLU 19 1HG GLU 19 2.302 14.008 8.623 147 2HG GLU 19 2HG GLU 19 3.079 12.429 8.448 148 H HIS 20 H HIS 20 2.855 11.178 4.170 149 HA HIS 20 HA HIS 20 0.728 11.982 2.229 150 1HB HIS 20 1HB HIS 20 3.632 12.634 1.723 151 2HB HIS 20 2HB HIS 20 2.187 13.381 1.072 152 HD1 HIS 20 1HD HIS 20 4.824 13.947 3.761 153 HD2 HIS 20 2HD HIS 20 0.783 15.043 2.974 154 HE1 HIS 20 1HE HIS 20 4.318 15.964 5.197 155 HE2 HIS 20 2HE HIS 20 1.895 16.634 4.771 156 H PHE 21 H PHE 21 2.133 11.410 -0.027 157 HA PHE 21 HA PHE 21 2.936 8.541 0.294 158 1HB PHE 21 1HB PHE 21 0.741 8.461 -0.605 159 2HB PHE 21 2HB PHE 21 1.072 9.768 -1.739 160 HD1 PHE 21 1HD PHE 21 2.273 9.396 -3.819 161 HD2 PHE 21 2HD PHE 21 1.738 6.168 -0.994 162 HE1 PHE 21 1HE PHE 21 3.045 7.760 -5.540 163 HE2 PHE 21 2HE PHE 21 2.637 4.584 -2.679 164 HZ PHE 21 HZ PHE 21 3.358 5.404 -4.897 165 H GLY 22 H GLY 22 3.225 11.573 -1.589 166 1HA GLY 22 1HA GLY 22 5.158 10.402 -3.389 167 2HA GLY 22 2HA GLY 22 4.537 12.050 -3.390 168 H ARG 23 H ARG 23 5.764 11.371 -0.341 169 HA ARG 23 HA ARG 23 8.531 11.421 -0.917 170 1HB ARG 23 1HB ARG 23 9.140 13.321 0.562 171 2HB ARG 23 2HB ARG 23 8.513 13.777 -0.991 172 1HG ARG 23 1HG ARG 23 6.497 13.677 1.256 173 2HG ARG 23 2HG ARG 23 7.785 14.854 1.390 174 1HD ARG 23 1HD ARG 23 7.010 15.275 -1.219 175 2HD ARG 23 2HD ARG 23 5.482 14.790 -0.489 176 HE ARG 23 HE ARG 23 6.037 16.549 1.281 177 1HH1 ARG 23 2HH2 ARG 23 7.530 16.990 -1.949 178 2HH1 ARG 23 1HH2 ARG 23 7.339 18.701 -1.936 179 1HH2 ARG 23 2HH1 ARG 23 6.210 18.858 1.435 180 2HH2 ARG 23 1HH1 ARG 23 7.027 19.712 0.204 181 H ALA 24 H ALA 24 7.151 9.483 -0.084 182 HA ALA 24 HA ALA 24 7.177 9.230 2.858 183 1HB ALA 24 1HB ALA 24 6.456 7.238 0.657 184 2HB ALA 24 2HB ALA 24 6.328 6.965 2.404 185 3HB ALA 24 3HB ALA 24 5.285 8.178 1.619 186 HA PRO 25 HA PRO 25 11.369 7.697 1.978 187 1HB PRO 25 1HB PRO 25 12.009 6.637 4.424 188 2HB PRO 25 2HB PRO 25 11.971 8.369 4.086 189 1HG PRO 25 1HG PRO 25 9.782 6.726 5.364 190 2HG PRO 25 2HG PRO 25 10.427 8.291 5.905 191 1HD PRO 25 1HD PRO 25 8.150 8.112 4.456 192 2HD PRO 25 2HD PRO 25 9.302 9.447 4.190 193 H TYR 26 H TYR 26 8.717 5.572 3.120 194 HA TYR 26 HA TYR 26 9.911 3.367 1.593 195 1HB TYR 26 1HB TYR 26 8.868 2.887 4.386 196 2HB TYR 26 2HB TYR 26 9.650 1.735 3.342 197 HD1 TYR 26 1HD TYR 26 10.166 4.690 5.543 198 HD2 TYR 26 2HD TYR 26 12.064 1.451 3.425 199 HE1 TYR 26 1HE TYR 26 12.336 5.311 6.560 200 HE2 TYR 26 2HE TYR 26 14.221 2.056 4.463 201 HH TYR 26 HH TYR 26 15.333 3.506 5.735 202 H PHE 27 H PHE 27 8.332 1.700 1.185 203 HA PHE 27 HA PHE 27 5.464 2.385 1.618 204 1HB PHE 27 1HB PHE 27 6.725 1.186 -0.881 205 2HB PHE 27 2HB PHE 27 5.020 1.165 -0.598 206 HD1 PHE 27 1HD PHE 27 4.605 4.009 0.496 207 HD2 PHE 27 2HD PHE 27 6.876 2.513 -2.814 208 HE1 PHE 27 1HE PHE 27 4.557 6.250 -0.553 209 HE2 PHE 27 2HE PHE 27 6.818 4.745 -3.878 210 HZ PHE 27 HZ PHE 27 5.646 6.626 -2.738 211 H ALA 28 H ALA 28 4.675 0.839 2.955 212 HA ALA 28 HA ALA 28 5.827 -1.886 2.917 213 1HB ALA 28 1HB ALA 28 5.366 -0.965 5.138 214 2HB ALA 28 2HB ALA 28 3.687 -0.612 4.664 215 3HB ALA 28 3HB ALA 28 4.246 -2.296 4.775 216 H PHE 29 H PHE 29 5.252 -2.485 0.791 217 HA PHE 29 HA PHE 29 2.389 -2.617 0.070 218 1HB PHE 29 1HB PHE 29 4.968 -3.057 -1.287 219 2HB PHE 29 2HB PHE 29 3.750 -4.250 -1.680 220 HD1 PHE 29 1HD PHE 29 1.150 -2.755 -1.941 221 HD2 PHE 29 2HD PHE 29 5.129 -1.637 -3.154 222 HE1 PHE 29 1HE PHE 29 0.211 -1.122 -3.420 223 HE2 PHE 29 2HE PHE 29 4.129 -0.270 -4.952 224 HZ PHE 29 HZ PHE 29 1.663 0.154 -4.982 225 H VAL 30 H VAL 30 1.548 -3.731 1.785 226 HA VAL 30 HA VAL 30 2.598 -6.390 2.546 227 HB VAL 30 HB VAL 30 -0.039 -4.968 3.309 228 1HG1 VAL 30 1HG1 VAL 30 1.594 -7.098 4.730 229 2HG1 VAL 30 2HG1 VAL 30 0.147 -6.312 5.391 230 3HG1 VAL 30 3HG1 VAL 30 0.018 -7.322 3.946 231 1HG2 VAL 30 1HG2 VAL 30 1.656 -3.376 3.962 232 2HG2 VAL 30 2HG2 VAL 30 1.144 -4.225 5.411 233 3HG2 VAL 30 3HG2 VAL 30 2.689 -4.653 4.643 234 H LYS 31 H LYS 31 1.468 -8.345 2.053 235 HA LYS 31 HA LYS 31 -0.014 -8.060 -0.519 236 1HB LYS 31 1HB LYS 31 1.311 -10.472 0.738 237 2HB LYS 31 2HB LYS 31 0.534 -10.419 -0.862 238 1HG LYS 31 1HG LYS 31 2.187 -8.500 -1.390 239 2HG LYS 31 2HG LYS 31 2.966 -8.862 0.095 240 1HD LYS 31 1HD LYS 31 4.254 -9.949 -1.559 241 2HD LYS 31 2HD LYS 31 3.355 -11.248 -0.769 242 1HE LYS 31 1HE LYS 31 1.764 -11.317 -2.616 243 2HE LYS 31 2HE LYS 31 2.495 -9.896 -3.371 244 1HZ LYS 31 1HZ LYS 31 3.247 -11.956 -4.427 245 2HZ LYS 31 2HZ LYS 31 4.509 -11.212 -3.743 246 3HZ LYS 31 3HZ LYS 31 3.845 -12.518 -3.017 247 H VAL 32 H VAL 32 -1.588 -10.327 -0.558 248 HA VAL 32 HA VAL 32 -2.798 -10.656 2.017 249 HB VAL 32 HB VAL 32 -4.534 -9.997 -0.412 250 1HG1 VAL 32 1HG1 VAL 32 -5.484 -10.756 2.375 251 2HG1 VAL 32 2HG1 VAL 32 -6.502 -10.237 1.021 252 3HG1 VAL 32 3HG1 VAL 32 -5.635 -11.763 0.915 253 1HG2 VAL 32 1HG2 VAL 32 -4.224 -8.513 2.234 254 2HG2 VAL 32 2HG2 VAL 32 -3.784 -7.923 0.615 255 3HG2 VAL 32 3HG2 VAL 32 -5.481 -8.168 1.028 256 H LYS 33 H LYS 33 -3.520 -12.703 2.251 257 HA LYS 33 HA LYS 33 -3.699 -14.632 0.023 258 1HB LYS 33 1HB LYS 33 -1.430 -14.989 0.831 259 2HB LYS 33 2HB LYS 33 -1.954 -14.862 2.511 260 1HG LYS 33 1HG LYS 33 -3.422 -17.034 1.330 261 2HG LYS 33 2HG LYS 33 -1.749 -17.197 0.811 262 1HD LYS 33 1HD LYS 33 -2.043 -18.425 2.898 263 2HD LYS 33 2HD LYS 33 -0.999 -17.025 3.170 264 1HE LYS 33 1HE LYS 33 -3.055 -15.771 3.984 265 2HE LYS 33 2HE LYS 33 -3.982 -17.259 3.839 266 1HZ LYS 33 1HZ LYS 33 -1.600 -16.907 5.561 267 2HZ LYS 33 2HZ LYS 33 -3.181 -16.792 6.062 268 3HZ LYS 33 3HZ LYS 33 -2.581 -18.222 5.542 269 H ASN 34 H ASN 34 -5.669 -15.675 0.427 270 HA ASN 34 HA ASN 34 -7.717 -15.936 1.442 271 1HB ASN 34 1HB ASN 34 -5.659 -17.538 2.812 272 2HB ASN 34 2HB ASN 34 -7.154 -17.403 3.712 273 1HD2 ASN 34 1HD2 ASN 34 -5.710 -19.427 1.558 274 2HD2 ASN 34 2HD2 ASN 34 -7.168 -20.079 0.850 275 H ASN 35 H ASN 35 -7.639 -13.538 1.772 276 HA ASN 35 HA ASN 35 -8.070 -11.627 2.891 277 1HB ASN 35 1HB ASN 35 -10.021 -13.499 3.646 278 2HB ASN 35 2HB ASN 35 -9.508 -12.781 5.170 279 1HD2 ASN 35 1HD2 ASN 35 -12.216 -12.357 3.889 280 2HD2 ASN 35 2HD2 ASN 35 -12.205 -10.683 3.369 281 H ALA 36 H ALA 36 -5.627 -13.175 4.025 282 HA ALA 36 HA ALA 36 -5.361 -11.490 6.453 283 1HB ALA 36 1HB ALA 36 -3.916 -13.203 7.373 284 2HB ALA 36 2HB ALA 36 -5.447 -13.960 6.910 285 3HB ALA 36 3HB ALA 36 -4.003 -14.153 5.871 286 H ILE 37 H ILE 37 -2.829 -11.156 6.808 287 HA ILE 37 HA ILE 37 -2.090 -9.428 4.771 288 HB ILE 37 HB ILE 37 -1.075 -10.404 7.414 289 1HG1 ILE 37 1HG1 ILE 37 -0.813 -7.862 7.678 290 2HG1 ILE 37 2HG1 ILE 37 -1.531 -7.710 6.089 291 1HG2 ILE 37 1HG2 ILE 37 1.063 -10.637 6.375 292 2HG2 ILE 37 2HG2 ILE 37 0.924 -9.060 5.590 293 3HG2 ILE 37 3HG2 ILE 37 1.043 -9.168 7.355 294 1HD1 ILE 37 1HD1 ILE 37 -3.615 -8.716 6.862 295 2HD1 ILE 37 2HD1 ILE 37 -2.870 -9.172 8.414 296 3HD1 ILE 37 3HD1 ILE 37 -3.141 -7.467 8.028 297 H ALA 38 H ALA 38 -1.417 -12.757 4.862 298 HA ALA 38 HA ALA 38 0.134 -14.137 3.994 299 1HB ALA 38 1HB ALA 38 0.712 -12.191 1.772 300 2HB ALA 38 2HB ALA 38 0.682 -13.958 1.748 301 3HB ALA 38 3HB ALA 38 -0.817 -13.000 1.877 302 H ASP 39 H ASP 39 1.560 -10.936 3.369 303 HA ASP 39 HA ASP 39 4.271 -11.772 4.264 304 1HB ASP 39 1HB ASP 39 3.238 -11.964 1.538 305 2HB ASP 39 2HB ASP 39 4.395 -10.663 1.579 306 H ILE 40 H ILE 40 5.722 -9.932 4.112 307 HA ILE 40 HA ILE 40 4.426 -7.245 4.041 308 HB ILE 40 HB ILE 40 6.724 -8.333 5.714 309 1HG1 ILE 40 1HG1 ILE 40 4.391 -8.728 6.586 310 2HG1 ILE 40 2HG1 ILE 40 5.474 -7.864 7.657 311 1HG2 ILE 40 1HG2 ILE 40 5.929 -5.412 5.423 312 2HG2 ILE 40 2HG2 ILE 40 6.940 -6.059 6.733 313 3HG2 ILE 40 3HG2 ILE 40 7.501 -6.171 5.074 314 1HD1 ILE 40 1HD1 ILE 40 3.379 -6.463 5.950 315 2HD1 ILE 40 2HD1 ILE 40 3.132 -6.944 7.633 316 3HD1 ILE 40 3HD1 ILE 40 4.372 -5.744 7.235 317 H SER 41 H SER 41 5.589 -5.666 2.861 318 HA SER 41 HA SER 41 8.310 -6.194 1.905 319 1HB SER 41 1HB SER 41 6.006 -6.327 0.148 320 2HB SER 41 2HB SER 41 6.927 -4.893 -0.258 321 HG SER 41 HG SER 41 8.413 -6.083 -1.050 322 H VAL 42 H VAL 42 8.722 -4.814 3.706 323 HA VAL 42 HA VAL 42 7.870 -2.009 3.408 324 HB VAL 42 HB VAL 42 7.989 -2.942 5.651 325 1HG1 VAL 42 1HG1 VAL 42 9.949 -4.478 5.379 326 2HG1 VAL 42 2HG1 VAL 42 11.010 -3.065 5.387 327 3HG1 VAL 42 3HG1 VAL 42 10.033 -3.444 6.813 328 1HG2 VAL 42 1HG2 VAL 42 9.172 -1.078 6.682 329 2HG2 VAL 42 2HG2 VAL 42 10.017 -0.733 5.155 330 3HG2 VAL 42 3HG2 VAL 42 8.255 -0.535 5.267 331 H GLU 43 H GLU 43 8.616 -1.399 1.503 332 HA GLU 43 HA GLU 43 11.426 -1.971 0.715 333 1HB GLU 43 1HB GLU 43 8.853 -1.334 -0.736 334 2HB GLU 43 2HB GLU 43 10.426 -1.382 -1.557 335 1HG GLU 43 1HG GLU 43 10.772 -3.667 -1.094 336 2HG GLU 43 2HG GLU 43 9.496 -3.752 0.122 337 H GLU 44 H GLU 44 12.822 -0.385 0.358 338 HA GLU 44 HA GLU 44 12.376 2.276 1.391 339 1HB GLU 44 1HB GLU 44 14.594 1.061 -0.306 340 2HB GLU 44 2HB GLU 44 14.717 2.608 0.517 341 1HG GLU 44 1HG GLU 44 14.999 1.665 2.582 342 2HG GLU 44 2HG GLU 44 14.118 0.184 2.210 343 H ASN 45 H ASN 45 12.081 4.117 0.312 344 HA ASN 45 HA ASN 45 10.824 3.907 -2.318 345 1HB ASN 45 1HB ASN 45 9.898 5.301 -0.473 346 2HB ASN 45 2HB ASN 45 11.254 6.379 -0.583 347 1HD2 ASN 45 1HD2 ASN 45 11.599 7.134 -2.943 348 2HD2 ASN 45 2HD2 ASN 45 10.130 7.722 -3.751 349 HA PRO 46 HA PRO 46 14.949 4.736 -3.951 350 1HB PRO 46 1HB PRO 46 14.513 4.338 -6.649 351 2HB PRO 46 2HB PRO 46 14.719 3.046 -5.441 352 1HG PRO 46 1HG PRO 46 12.118 4.106 -6.570 353 2HG PRO 46 2HG PRO 46 12.606 2.423 -6.290 354 1HD PRO 46 1HD PRO 46 11.031 3.828 -4.552 355 2HD PRO 46 2HD PRO 46 12.180 2.575 -4.029 356 H LEU 47 H LEU 47 12.143 6.646 -4.717 357 HA LEU 47 HA LEU 47 13.937 8.870 -5.678 358 1HB LEU 47 1HB LEU 47 11.043 8.285 -6.407 359 2HB LEU 47 2HB LEU 47 11.998 9.643 -6.989 360 HG LEU 47 HG LEU 47 11.573 8.263 -8.723 361 1HD1 LEU 47 1HD1 LEU 47 14.453 7.851 -7.926 362 2HD1 LEU 47 2HD1 LEU 47 13.798 7.812 -9.579 363 3HD1 LEU 47 3HD1 LEU 47 13.770 9.334 -8.643 364 1HD2 LEU 47 1HD2 LEU 47 12.997 5.905 -7.544 365 2HD2 LEU 47 2HD2 LEU 47 11.218 6.099 -7.480 366 3HD2 LEU 47 3HD2 LEU 47 12.059 5.983 -9.030 367 H ALA 48 H ALA 48 13.210 8.466 -2.758 368 HA ALA 48 HA ALA 48 10.772 9.464 -2.060 369 1HB ALA 48 1HB ALA 48 13.336 9.824 -0.474 370 2HB ALA 48 2HB ALA 48 11.671 9.761 0.146 371 3HB ALA 48 3HB ALA 48 12.401 8.309 -0.546 372 H GLN 49 H GLN 49 13.742 11.411 -2.681 373 HA GLN 49 HA GLN 49 11.894 13.634 -3.036 374 1HB GLN 49 1HB GLN 49 13.085 13.433 -0.605 375 2HB GLN 49 2HB GLN 49 14.375 14.281 -1.462 376 1HG GLN 49 1HG GLN 49 12.639 15.986 -2.177 377 2HG GLN 49 2HG GLN 49 11.470 15.164 -1.138 378 1HE2 GLN 49 1HE2 GLN 49 13.427 14.565 1.029 379 2HE2 GLN 49 2HE2 GLN 49 13.800 16.076 1.794 380 H ASP 50 H ASP 50 13.457 12.032 -4.986 381 HA ASP 50 HA ASP 50 15.636 13.968 -5.668 382 1HB ASP 50 1HB ASP 50 16.302 11.691 -4.714 383 2HB ASP 50 2HB ASP 50 15.796 11.020 -6.279 384 H HIS 51 H HIS 51 15.624 14.789 -7.635 385 HA HIS 51 HA HIS 51 14.975 15.506 -9.607 386 1HB HIS 51 1HB HIS 51 14.242 12.614 -10.156 387 2HB HIS 51 2HB HIS 51 14.146 13.890 -11.347 388 HD1 HIS 51 1HD HIS 51 16.217 11.248 -11.175 389 HD2 HIS 51 2HD HIS 51 17.052 15.340 -10.535 390 HE1 HIS 51 1HE HIS 51 18.681 11.633 -11.819 391 HE2 HIS 51 2HE HIS 51 19.195 14.064 -11.344 392 H VAL 52 H VAL 52 12.460 13.511 -8.083 393 HA VAL 52 HA VAL 52 10.269 13.800 -7.820 394 HB VAL 52 HB VAL 52 10.921 16.754 -7.763 395 1HG1 VAL 52 1HG1 VAL 52 9.267 16.698 -5.841 396 2HG1 VAL 52 2HG1 VAL 52 8.540 16.392 -7.410 397 3HG1 VAL 52 3HG1 VAL 52 8.859 15.036 -6.297 398 1HG2 VAL 52 1HG2 VAL 52 11.385 14.588 -5.656 399 2HG2 VAL 52 2HG2 VAL 52 12.632 15.598 -6.430 400 3HG2 VAL 52 3HG2 VAL 52 11.473 16.332 -5.351 401 H HIS 53 H HIS 53 11.184 13.651 -10.633 402 HA HIS 53 HA HIS 53 9.558 15.352 -12.274 403 1HB HIS 53 1HB HIS 53 11.605 14.049 -13.032 404 2HB HIS 53 2HB HIS 53 10.634 12.588 -13.042 405 HD1 HIS 53 1HD HIS 53 9.197 12.240 -15.316 406 HD2 HIS 53 2HD HIS 53 10.901 16.079 -14.726 407 HE1 HIS 53 1HE HIS 53 8.665 13.630 -17.410 408 HE2 HIS 53 2HE HIS 53 9.850 15.885 -17.114 409 H GLY 54 H GLY 54 9.216 11.826 -11.756 410 1HA GLY 54 1HA GLY 54 6.612 11.726 -10.719 411 2HA GLY 54 2HA GLY 54 6.471 11.706 -12.489 412 H ALA 55 H ALA 55 9.095 10.364 -10.388 413 HA ALA 55 HA ALA 55 8.698 7.758 -11.777 414 1HB ALA 55 1HB ALA 55 10.770 8.738 -12.378 415 2HB ALA 55 2HB ALA 55 11.179 9.085 -10.689 416 3HB ALA 55 3HB ALA 55 11.100 7.402 -11.260 417 H VAL 56 H VAL 56 8.445 9.253 -8.609 418 HA VAL 56 HA VAL 56 8.864 7.003 -6.985 419 HB VAL 56 HB VAL 56 7.127 9.455 -6.870 420 1HG1 VAL 56 1HG1 VAL 56 5.384 7.963 -6.127 421 2HG1 VAL 56 2HG1 VAL 56 6.510 7.143 -5.021 422 3HG1 VAL 56 3HG1 VAL 56 6.036 8.823 -4.739 423 1HG2 VAL 56 1HG2 VAL 56 9.340 9.529 -5.955 424 2HG2 VAL 56 2HG2 VAL 56 8.176 9.696 -4.637 425 3HG2 VAL 56 3HG2 VAL 56 8.980 8.140 -4.899 426 HA PRO 57 HA PRO 57 4.441 5.460 -8.044 427 1HB PRO 57 1HB PRO 57 3.192 6.397 -10.300 428 2HB PRO 57 2HB PRO 57 2.952 7.057 -8.648 429 1HG PRO 57 1HG PRO 57 4.408 8.214 -10.971 430 2HG PRO 57 2HG PRO 57 3.676 9.035 -9.560 431 1HD PRO 57 1HD PRO 57 6.398 8.328 -10.009 432 2HD PRO 57 2HD PRO 57 5.750 9.052 -8.531 433 H ASN 58 H ASN 58 6.759 6.201 -10.571 434 HA ASN 58 HA ASN 58 5.894 4.140 -12.397 435 1HB ASN 58 1HB ASN 58 7.217 6.327 -12.883 436 2HB ASN 58 2HB ASN 58 8.647 5.407 -12.352 437 1HD2 ASN 58 1HD2 ASN 58 9.716 4.799 -14.274 438 2HD2 ASN 58 2HD2 ASN 58 8.838 4.207 -15.684 439 H PHE 59 H PHE 59 8.036 4.254 -9.649 440 HA PHE 59 HA PHE 59 9.031 1.523 -9.930 441 1HB PHE 59 1HB PHE 59 10.341 2.905 -8.547 442 2HB PHE 59 2HB PHE 59 8.957 3.690 -7.819 443 HD1 PHE 59 1HD PHE 59 8.317 3.141 -5.659 444 HD2 PHE 59 2HD PHE 59 10.539 0.270 -7.998 445 HE1 PHE 59 1HE PHE 59 8.587 1.684 -3.662 446 HE2 PHE 59 2HE PHE 59 10.743 -1.185 -5.970 447 HZ PHE 59 HZ PHE 59 9.763 -0.462 -3.812 448 H VAL 60 H VAL 60 6.500 2.901 -7.661 449 HA VAL 60 HA VAL 60 5.756 0.313 -6.924 450 HB VAL 60 HB VAL 60 3.541 1.418 -6.212 451 1HG1 VAL 60 1HG1 VAL 60 5.716 1.127 -4.775 452 2HG1 VAL 60 2HG1 VAL 60 6.091 2.784 -5.206 453 3HG1 VAL 60 3HG1 VAL 60 4.611 2.423 -4.286 454 1HG2 VAL 60 1HG2 VAL 60 4.985 3.968 -6.766 455 2HG2 VAL 60 2HG2 VAL 60 3.685 3.307 -7.828 456 3HG2 VAL 60 3HG2 VAL 60 3.326 3.708 -6.153 457 H LYS 61 H LYS 61 4.615 1.935 -9.793 458 HA LYS 61 HA LYS 61 2.423 0.141 -10.328 459 1HB LYS 61 1HB LYS 61 3.044 2.415 -11.456 460 2HB LYS 61 2HB LYS 61 4.129 1.467 -12.469 461 1HG LYS 61 1HG LYS 61 1.597 0.120 -12.582 462 2HG LYS 61 2HG LYS 61 1.211 1.815 -12.545 463 1HD LYS 61 1HD LYS 61 1.380 1.336 -14.836 464 2HD LYS 61 2HD LYS 61 2.933 2.114 -14.461 465 1HE LYS 61 1HE LYS 61 3.872 -0.252 -14.079 466 2HE LYS 61 2HE LYS 61 2.314 -0.867 -14.620 467 1HZ LYS 61 1HZ LYS 61 2.788 0.410 -16.746 468 2HZ LYS 61 2HZ LYS 61 4.338 0.560 -16.200 469 3HZ LYS 61 3HZ LYS 61 3.692 -0.926 -16.467 470 H GLU 62 H GLU 62 5.749 -0.530 -10.306 471 HA GLU 62 HA GLU 62 5.467 -2.867 -12.094 472 1HB GLU 62 1HB GLU 62 7.743 -3.037 -12.090 473 2HB GLU 62 2HB GLU 62 7.520 -1.303 -11.971 474 1HG GLU 62 1HG GLU 62 8.900 -1.276 -10.231 475 2HG GLU 62 2HG GLU 62 7.739 -2.188 -9.277 476 H LYS 63 H LYS 63 4.953 -2.066 -8.781 477 HA LYS 63 HA LYS 63 5.883 -4.644 -7.742 478 1HB LYS 63 1HB LYS 63 4.552 -2.301 -6.340 479 2HB LYS 63 2HB LYS 63 5.410 -3.611 -5.553 480 1HG LYS 63 1HG LYS 63 6.674 -1.571 -7.434 481 2HG LYS 63 2HG LYS 63 6.714 -1.485 -5.690 482 1HD LYS 63 1HD LYS 63 7.876 -3.862 -7.206 483 2HD LYS 63 2HD LYS 63 8.785 -2.388 -6.854 484 1HE LYS 63 1HE LYS 63 8.265 -2.628 -4.443 485 2HE LYS 63 2HE LYS 63 7.351 -4.095 -4.764 486 1HZ LYS 63 1HZ LYS 63 9.419 -4.636 -3.956 487 2HZ LYS 63 2HZ LYS 63 9.430 -5.133 -5.512 488 3HZ LYS 63 3HZ LYS 63 10.275 -3.769 -5.041 489 H GLY 64 H GLY 64 3.515 -4.727 -9.491 490 1HA GLY 64 1HA GLY 64 1.547 -5.874 -9.665 491 2HA GLY 64 2HA GLY 64 2.158 -6.854 -8.335 492 H ALA 65 H ALA 65 1.302 -3.368 -8.004 493 HA ALA 65 HA ALA 65 -0.101 -4.002 -5.608 494 1HB ALA 65 1HB ALA 65 -0.081 -1.400 -7.164 495 2HB ALA 65 2HB ALA 65 -0.457 -1.644 -5.428 496 3HB ALA 65 3HB ALA 65 1.177 -1.974 -6.036 497 H GLU 66 H GLU 66 -2.296 -3.184 -5.103 498 HA GLU 66 HA GLU 66 -4.314 -3.328 -7.278 499 1HB GLU 66 1HB GLU 66 -3.731 -5.474 -5.313 500 2HB GLU 66 2HB GLU 66 -5.416 -4.971 -5.346 501 1HG GLU 66 1HG GLU 66 -5.692 -5.495 -7.621 502 2HG GLU 66 2HG GLU 66 -3.948 -5.664 -7.893 503 H LEU 67 H LEU 67 -3.512 -2.843 -3.811 504 HA LEU 67 HA LEU 67 -5.598 -0.741 -3.684 505 1HB LEU 67 1HB LEU 67 -6.168 -2.925 -2.390 506 2HB LEU 67 2HB LEU 67 -4.760 -2.595 -1.401 507 HG LEU 67 HG LEU 67 -5.831 -0.389 -0.724 508 1HD1 LEU 67 1HD1 LEU 67 -8.319 -0.254 -1.163 509 2HD1 LEU 67 2HD1 LEU 67 -7.307 0.019 -2.569 510 3HD1 LEU 67 3HD1 LEU 67 -8.127 -1.552 -2.355 511 1HD2 LEU 67 1HD2 LEU 67 -7.170 -3.042 -0.154 512 2HD2 LEU 67 2HD2 LEU 67 -6.041 -2.106 0.856 513 3HD2 LEU 67 3HD2 LEU 67 -7.680 -1.548 0.635 514 H VAL 68 H VAL 68 -4.961 1.074 -2.360 515 HA VAL 68 HA VAL 68 -2.388 0.860 -0.952 516 HB VAL 68 HB VAL 68 -3.103 3.364 -2.529 517 1HG1 VAL 68 1HG1 VAL 68 -0.680 3.918 -2.070 518 2HG1 VAL 68 2HG1 VAL 68 -1.614 3.692 -0.576 519 3HG1 VAL 68 3HG1 VAL 68 -0.569 2.421 -1.157 520 1HG2 VAL 68 1HG2 VAL 68 -1.131 1.189 -3.360 521 2HG2 VAL 68 2HG2 VAL 68 -2.588 1.704 -4.224 522 3HG2 VAL 68 3HG2 VAL 68 -1.233 2.811 -4.066 523 H ILE 69 H ILE 69 -2.439 2.055 1.002 524 HA ILE 69 HA ILE 69 -4.960 3.428 1.739 525 HB ILE 69 HB ILE 69 -3.277 1.488 3.381 526 1HG1 ILE 69 1HG1 ILE 69 -6.215 1.233 2.626 527 2HG1 ILE 69 2HG1 ILE 69 -4.901 0.384 1.825 528 1HG2 ILE 69 1HG2 ILE 69 -5.189 2.023 5.114 529 2HG2 ILE 69 2HG2 ILE 69 -3.870 3.157 4.926 530 3HG2 ILE 69 3HG2 ILE 69 -5.443 3.461 4.141 531 1HD1 ILE 69 1HD1 ILE 69 -5.773 -1.169 3.373 532 2HD1 ILE 69 2HD1 ILE 69 -4.272 -0.582 4.126 533 3HD1 ILE 69 3HD1 ILE 69 -5.843 0.009 4.686 534 H VAL 70 H VAL 70 -4.376 5.541 1.973 535 HA VAL 70 HA VAL 70 -1.653 6.152 3.048 536 HB VAL 70 HB VAL 70 -1.424 7.977 1.509 537 1HG1 VAL 70 1HG1 VAL 70 -1.159 6.864 -0.583 538 2HG1 VAL 70 2HG1 VAL 70 -0.887 5.641 0.664 539 3HG1 VAL 70 3HG1 VAL 70 -2.437 5.702 -0.207 540 1HG2 VAL 70 1HG2 VAL 70 -3.242 8.140 -0.394 541 2HG2 VAL 70 2HG2 VAL 70 -4.293 7.396 0.769 542 3HG2 VAL 70 3HG2 VAL 70 -3.546 8.944 1.175 543 H ARG 71 H ARG 71 -1.573 8.546 3.780 544 HA ARG 71 HA ARG 71 -4.026 9.112 5.345 545 1HB ARG 71 1HB ARG 71 -1.833 8.745 6.455 546 2HB ARG 71 2HB ARG 71 -1.252 10.251 5.765 547 1HG ARG 71 1HG ARG 71 -2.612 11.564 7.148 548 2HG ARG 71 2HG ARG 71 -3.878 10.356 7.179 549 1HD ARG 71 1HD ARG 71 -2.032 8.961 8.561 550 2HD ARG 71 2HD ARG 71 -1.482 10.555 9.011 551 HE ARG 71 HE ARG 71 -4.056 9.189 9.443 552 1HH1 ARG 71 2HH2 ARG 71 -2.368 12.267 10.000 553 2HH1 ARG 71 1HH2 ARG 71 -3.521 12.840 11.163 554 1HH2 ARG 71 2HH1 ARG 71 -5.653 10.010 10.884 555 2HH2 ARG 71 1HH1 ARG 71 -5.416 11.460 11.730 556 H GLY 72 H GLY 72 -1.526 11.264 3.805 557 1HA GLY 72 1HA GLY 72 -3.715 12.835 2.525 558 2HA GLY 72 2HA GLY 72 -2.398 13.547 3.460 559 H ILE 73 H ILE 73 -2.973 11.361 0.762 560 HA ILE 73 HA ILE 73 -0.597 11.839 -0.750 561 HB ILE 73 HB ILE 73 -1.980 9.816 -0.786 562 1HG1 ILE 73 1HG1 ILE 73 -2.288 10.774 -3.619 563 2HG1 ILE 73 2HG1 ILE 73 -0.688 10.537 -2.903 564 1HG2 ILE 73 1HG2 ILE 73 -4.259 10.860 -0.555 565 2HG2 ILE 73 2HG2 ILE 73 -4.152 11.433 -2.226 566 3HG2 ILE 73 3HG2 ILE 73 -4.216 9.706 -1.886 567 1HD1 ILE 73 1HD1 ILE 73 -2.828 8.383 -3.003 568 2HD1 ILE 73 2HD1 ILE 73 -1.519 8.556 -4.169 569 3HD1 ILE 73 3HD1 ILE 73 -1.143 8.206 -2.475 570 H GLY 74 H GLY 74 -1.298 12.505 -3.383 571 1HA GLY 74 1HA GLY 74 -3.364 14.510 -3.510 572 2HA GLY 74 2HA GLY 74 -1.739 15.115 -3.873 573 H ARG 75 H ARG 75 -3.687 15.174 -5.794 574 HA ARG 75 HA ARG 75 -4.378 13.088 -7.243 575 1HB ARG 75 1HB ARG 75 -4.256 15.939 -7.713 576 2HB ARG 75 2HB ARG 75 -3.949 15.137 -9.227 577 1HG ARG 75 1HG ARG 75 -6.343 14.509 -7.451 578 2HG ARG 75 2HG ARG 75 -6.352 15.604 -8.843 579 1HD ARG 75 1HD ARG 75 -5.853 13.841 -10.385 580 2HD ARG 75 2HD ARG 75 -5.510 12.702 -9.081 581 HE ARG 75 HE ARG 75 -8.220 13.779 -9.025 582 1HH1 ARG 75 2HH2 ARG 75 -6.227 11.267 -10.590 583 2HH1 ARG 75 1HH2 ARG 75 -7.623 10.302 -10.973 584 1HH2 ARG 75 2HH1 ARG 75 -9.950 12.396 -9.385 585 2HH2 ARG 75 1HH1 ARG 75 -9.752 10.861 -10.166 586 H ARG 76 H ARG 76 -1.230 14.601 -7.740 587 HA ARG 76 HA ARG 76 -0.588 13.328 -10.200 588 1HB ARG 76 1HB ARG 76 1.735 13.779 -9.713 589 2HB ARG 76 2HB ARG 76 0.712 15.148 -9.292 590 1HG ARG 76 1HG ARG 76 0.706 14.016 -6.870 591 2HG ARG 76 2HG ARG 76 2.101 13.135 -7.481 592 1HD ARG 76 1HD ARG 76 3.390 15.125 -7.620 593 2HD ARG 76 2HD ARG 76 1.980 16.121 -7.926 594 HE ARG 76 HE ARG 76 3.206 15.863 -5.401 595 1HH1 ARG 76 2HH2 ARG 76 0.062 16.445 -6.867 596 2HH1 ARG 76 1HH2 ARG 76 -0.729 16.790 -5.377 597 1HH2 ARG 76 2HH1 ARG 76 2.193 16.431 -3.430 598 2HH2 ARG 76 1HH1 ARG 76 0.487 16.780 -3.414 599 H ALA 77 H ALA 77 -0.701 11.996 -6.963 600 HA ALA 77 HA ALA 77 0.671 9.560 -7.905 601 1HB ALA 77 1HB ALA 77 0.417 8.844 -5.550 602 2HB ALA 77 2HB ALA 77 1.346 10.348 -5.750 603 3HB ALA 77 3HB ALA 77 -0.354 10.407 -5.195 604 H ILE 78 H ILE 78 -2.628 10.765 -6.937 605 HA ILE 78 HA ILE 78 -3.992 8.307 -7.040 606 HB ILE 78 HB ILE 78 -5.011 10.922 -8.120 607 1HG1 ILE 78 1HG1 ILE 78 -4.301 11.313 -5.841 608 2HG1 ILE 78 2HG1 ILE 78 -6.052 11.258 -5.950 609 1HG2 ILE 78 1HG2 ILE 78 -6.442 9.066 -8.809 610 2HG2 ILE 78 2HG2 ILE 78 -6.478 8.424 -7.171 611 3HG2 ILE 78 3HG2 ILE 78 -7.257 9.975 -7.535 612 1HD1 ILE 78 1HD1 ILE 78 -4.267 9.065 -4.857 613 2HD1 ILE 78 2HD1 ILE 78 -5.328 10.151 -3.939 614 3HD1 ILE 78 3HD1 ILE 78 -6.043 8.950 -5.014 615 H ALA 79 H ALA 79 -2.963 10.548 -9.702 616 HA ALA 79 HA ALA 79 -4.141 9.119 -11.849 617 1HB ALA 79 1HB ALA 79 -3.348 11.446 -11.999 618 2HB ALA 79 2HB ALA 79 -1.660 10.888 -11.777 619 3HB ALA 79 3HB ALA 79 -2.569 10.435 -13.229 620 H ALA 80 H ALA 80 -1.342 8.177 -9.898 621 HA ALA 80 HA ALA 80 -0.105 6.604 -11.973 622 1HB ALA 80 1HB ALA 80 1.161 5.644 -10.139 623 2HB ALA 80 2HB ALA 80 1.105 7.431 -9.955 624 3HB ALA 80 3HB ALA 80 0.129 6.373 -8.919 625 H PHE 81 H PHE 81 -2.001 5.789 -9.003 626 HA PHE 81 HA PHE 81 -2.401 3.149 -9.528 627 1HB PHE 81 1HB PHE 81 -3.952 5.202 -7.927 628 2HB PHE 81 2HB PHE 81 -4.042 3.475 -7.676 629 HD1 PHE 81 1HD PHE 81 -1.545 2.281 -7.593 630 HD2 PHE 81 2HD PHE 81 -2.451 6.340 -6.455 631 HE1 PHE 81 1HE PHE 81 0.569 2.384 -6.360 632 HE2 PHE 81 2HE PHE 81 -0.261 6.462 -5.257 633 HZ PHE 81 HZ PHE 81 1.220 4.456 -5.187 634 H GLU 82 H GLU 82 -4.348 5.938 -10.561 635 HA GLU 82 HA GLU 82 -6.453 4.596 -11.869 636 1HB GLU 82 1HB GLU 82 -4.871 7.107 -12.486 637 2HB GLU 82 2HB GLU 82 -6.086 6.552 -13.591 638 1HG GLU 82 1HG GLU 82 -7.400 6.495 -11.056 639 2HG GLU 82 2HG GLU 82 -6.345 7.887 -10.977 640 H ALA 83 H ALA 83 -3.011 4.828 -12.964 641 HA ALA 83 HA ALA 83 -3.575 3.904 -15.651 642 1HB ALA 83 1HB ALA 83 -0.985 3.577 -14.134 643 2HB ALA 83 2HB ALA 83 -1.206 3.824 -15.869 644 3HB ALA 83 3HB ALA 83 -1.493 5.180 -14.742 645 H MET 84 H MET 84 -3.573 2.290 -12.653 646 HA MET 84 HA MET 84 -3.133 -0.371 -13.936 647 1HB MET 84 1HB MET 84 -2.111 -0.945 -11.594 648 2HB MET 84 2HB MET 84 -1.141 -0.193 -12.845 649 1HG MET 84 1HG MET 84 -1.346 1.986 -11.820 650 2HG MET 84 2HG MET 84 -2.465 1.348 -10.613 651 1HE MET 84 1HE MET 84 -0.263 3.092 -9.368 652 2HE MET 84 2HE MET 84 1.357 2.389 -9.212 653 3HE MET 84 3HE MET 84 0.744 2.909 -10.794 654 H GLY 85 H GLY 85 -5.515 1.508 -12.829 655 1HA GLY 85 1HA GLY 85 -7.575 1.104 -12.037 656 2HA GLY 85 2HA GLY 85 -7.303 -0.616 -12.221 657 H VAL 86 H VAL 86 -5.111 1.209 -10.202 658 HA VAL 86 HA VAL 86 -5.704 -0.626 -7.999 659 HB VAL 86 HB VAL 86 -3.594 1.548 -8.528 660 1HG1 VAL 86 1HG1 VAL 86 -2.478 0.640 -6.406 661 2HG1 VAL 86 2HG1 VAL 86 -3.891 1.688 -6.155 662 3HG1 VAL 86 3HG1 VAL 86 -4.041 -0.062 -5.987 663 1HG2 VAL 86 1HG2 VAL 86 -2.102 -0.451 -8.487 664 2HG2 VAL 86 2HG2 VAL 86 -3.497 -1.485 -8.161 665 3HG2 VAL 86 3HG2 VAL 86 -3.383 -0.637 -9.695 666 H LYS 87 H LYS 87 -7.277 -0.232 -6.636 667 HA LYS 87 HA LYS 87 -8.654 2.290 -6.294 668 1HB LYS 87 1HB LYS 87 -9.530 -0.029 -5.843 669 2HB LYS 87 2HB LYS 87 -8.603 0.007 -4.342 670 1HG LYS 87 1HG LYS 87 -9.895 2.355 -4.063 671 2HG LYS 87 2HG LYS 87 -11.023 1.608 -5.178 672 1HD LYS 87 1HD LYS 87 -10.077 0.403 -2.535 673 2HD LYS 87 2HD LYS 87 -11.528 1.383 -2.750 674 1HE LYS 87 1HE LYS 87 -12.367 -0.797 -2.803 675 2HE LYS 87 2HE LYS 87 -12.303 -0.267 -4.473 676 1HZ LYS 87 1HZ LYS 87 -10.651 -2.262 -3.122 677 2HZ LYS 87 2HZ LYS 87 -11.510 -2.419 -4.472 678 3HZ LYS 87 3HZ LYS 87 -10.090 -1.600 -4.534 679 H VAL 88 H VAL 88 -8.491 3.869 -4.619 680 HA VAL 88 HA VAL 88 -5.982 3.794 -3.047 681 HB VAL 88 HB VAL 88 -7.169 6.272 -4.349 682 1HG1 VAL 88 1HG1 VAL 88 -4.596 5.624 -2.876 683 2HG1 VAL 88 2HG1 VAL 88 -4.830 7.113 -3.800 684 3HG1 VAL 88 3HG1 VAL 88 -5.850 6.771 -2.396 685 1HG2 VAL 88 1HG2 VAL 88 -6.411 4.905 -6.210 686 2HG2 VAL 88 2HG2 VAL 88 -5.267 6.195 -5.957 687 3HG2 VAL 88 3HG2 VAL 88 -4.876 4.551 -5.384 688 H ILE 89 H ILE 89 -6.631 3.466 -0.989 689 HA ILE 89 HA ILE 89 -9.008 4.844 0.122 690 HB ILE 89 HB ILE 89 -7.100 2.680 0.985 691 1HG1 ILE 89 1HG1 ILE 89 -10.141 2.804 1.084 692 2HG1 ILE 89 2HG1 ILE 89 -9.270 2.354 -0.382 693 1HG2 ILE 89 1HG2 ILE 89 -8.039 2.613 3.218 694 2HG2 ILE 89 2HG2 ILE 89 -7.237 4.167 2.958 695 3HG2 ILE 89 3HG2 ILE 89 -8.990 4.067 2.899 696 1HD1 ILE 89 1HD1 ILE 89 -8.093 0.584 1.003 697 2HD1 ILE 89 2HD1 ILE 89 -9.365 0.863 2.220 698 3HD1 ILE 89 3HD1 ILE 89 -9.795 0.329 0.568 699 H LYS 90 H LYS 90 -8.737 6.430 1.727 700 HA LYS 90 HA LYS 90 -6.054 7.621 2.107 701 1HB LYS 90 1HB LYS 90 -8.640 8.981 1.281 702 2HB LYS 90 2HB LYS 90 -7.414 9.851 2.167 703 1HG LYS 90 1HG LYS 90 -6.284 10.297 0.345 704 2HG LYS 90 2HG LYS 90 -6.167 8.600 -0.126 705 1HD LYS 90 1HD LYS 90 -8.692 10.257 -0.642 706 2HD LYS 90 2HD LYS 90 -7.312 10.243 -1.746 707 1HE LYS 90 1HE LYS 90 -8.228 8.481 -2.708 708 2HE LYS 90 2HE LYS 90 -7.608 7.557 -1.355 709 1HZ LYS 90 1HZ LYS 90 -9.900 7.958 -0.337 710 2HZ LYS 90 2HZ LYS 90 -10.353 8.458 -1.869 711 3HZ LYS 90 3HZ LYS 90 -9.772 6.976 -1.680 712 H GLY 91 H GLY 91 -6.230 9.205 4.006 713 1HA GLY 91 1HA GLY 91 -6.948 9.898 6.013 714 2HA GLY 91 2HA GLY 91 -8.493 9.095 5.697 715 H ALA 92 H ALA 92 -5.767 6.988 5.620 716 HA ALA 92 HA ALA 92 -6.691 5.597 8.035 717 1HB ALA 92 1HB ALA 92 -4.258 5.238 6.226 718 2HB ALA 92 2HB ALA 92 -4.724 4.130 7.539 719 3HB ALA 92 3HB ALA 92 -5.800 4.352 6.156 720 H SER 93 H SER 93 -5.115 5.056 9.853 721 HA SER 93 HA SER 93 -2.905 6.839 10.347 722 1HB SER 93 1HB SER 93 -3.904 7.694 12.466 723 2HB SER 93 2HB SER 93 -4.703 8.274 11.016 724 HG SER 93 HG SER 93 -5.611 6.604 13.003 725 H GLY 94 H GLY 94 -1.581 5.839 11.994 726 1HA GLY 94 1HA GLY 94 -1.711 4.254 13.956 727 2HA GLY 94 2HA GLY 94 -2.527 3.112 12.902 728 H THR 95 H THR 95 -0.892 1.534 13.343 729 HA THR 95 HA THR 95 1.759 1.950 12.079 730 HB THR 95 HB THR 95 2.263 -0.259 12.961 731 HG1 THR 95 1HG THR 95 0.464 -1.275 14.266 732 1HG2 THR 95 1HG2 THR 95 2.078 -0.026 15.349 733 2HG2 THR 95 2HG2 THR 95 2.474 1.547 14.630 734 3HG2 THR 95 3HG2 THR 95 0.816 1.210 15.191 735 H VAL 96 H VAL 96 2.320 -0.216 10.760 736 HA VAL 96 HA VAL 96 0.549 -0.163 8.488 737 HB VAL 96 HB VAL 96 3.078 -1.655 9.221 738 1HG1 VAL 96 1HG1 VAL 96 1.382 -2.401 6.814 739 2HG1 VAL 96 2HG1 VAL 96 3.087 -2.846 7.053 740 3HG1 VAL 96 3HG1 VAL 96 1.855 -3.483 8.141 741 1HG2 VAL 96 1HG2 VAL 96 2.227 -0.053 6.799 742 2HG2 VAL 96 2HG2 VAL 96 2.989 0.621 8.246 743 3HG2 VAL 96 3HG2 VAL 96 3.876 -0.556 7.237 744 H GLU 97 H GLU 97 1.340 -2.685 10.941 745 HA GLU 97 HA GLU 97 -0.606 -4.417 9.726 746 1HB GLU 97 1HB GLU 97 -0.391 -5.976 11.424 747 2HB GLU 97 2HB GLU 97 1.185 -5.428 10.868 748 1HG GLU 97 1HG GLU 97 1.561 -4.239 12.923 749 2HG GLU 97 2HG GLU 97 -0.099 -4.457 13.437 750 H GLU 98 H GLU 98 -0.921 -1.926 12.080 751 HA GLU 98 HA GLU 98 -3.601 -2.570 12.950 752 1HB GLU 98 1HB GLU 98 -2.168 -1.046 14.219 753 2HB GLU 98 2HB GLU 98 -2.178 0.116 12.867 754 1HG GLU 98 1HG GLU 98 -4.621 0.324 13.057 755 2HG GLU 98 2HG GLU 98 -4.648 -0.856 14.363 756 H VAL 99 H VAL 99 -2.363 -0.142 10.386 757 HA VAL 99 HA VAL 99 -4.922 0.582 9.586 758 HB VAL 99 HB VAL 99 -2.145 0.604 8.357 759 1HG1 VAL 99 1HG1 VAL 99 -2.955 2.066 6.598 760 2HG1 VAL 99 2HG1 VAL 99 -3.629 0.447 6.430 761 3HG1 VAL 99 3HG1 VAL 99 -4.641 1.736 7.127 762 1HG2 VAL 99 1HG2 VAL 99 -4.101 2.785 9.245 763 2HG2 VAL 99 2HG2 VAL 99 -2.716 2.237 10.201 764 3HG2 VAL 99 3HG2 VAL 99 -2.453 3.060 8.649 765 H VAL 100 H VAL 100 -2.878 -2.145 8.451 766 HA VAL 100 HA VAL 100 -4.740 -2.888 6.365 767 HB VAL 100 HB VAL 100 -2.787 -4.718 7.836 768 1HG1 VAL 100 1HG1 VAL 100 -3.001 -6.053 5.676 769 2HG1 VAL 100 2HG1 VAL 100 -4.483 -6.007 6.641 770 3HG1 VAL 100 3HG1 VAL 100 -4.327 -4.979 5.204 771 1HG2 VAL 100 1HG2 VAL 100 -1.333 -4.401 5.842 772 2HG2 VAL 100 2HG2 VAL 100 -2.466 -3.187 5.209 773 3HG2 VAL 100 3HG2 VAL 100 -1.568 -2.892 6.711 774 H ASN 101 H ASN 101 -4.509 -3.699 9.893 775 HA ASN 101 HA ASN 101 -6.695 -5.578 9.781 776 1HB ASN 101 1HB ASN 101 -5.089 -5.538 11.641 777 2HB ASN 101 2HB ASN 101 -5.655 -3.937 12.134 778 1HD2 ASN 101 1HD2 ASN 101 -7.467 -3.836 13.497 779 2HD2 ASN 101 2HD2 ASN 101 -8.397 -5.249 13.951 780 H GLN 102 H GLN 102 -6.586 -2.012 10.374 781 HA GLN 102 HA GLN 102 -9.332 -1.677 10.993 782 1HB GLN 102 1HB GLN 102 -7.563 0.284 9.434 783 2HB GLN 102 2HB GLN 102 -9.103 0.639 10.186 784 1HG GLN 102 1HG GLN 102 -8.255 0.427 12.392 785 2HG GLN 102 2HG GLN 102 -6.729 -0.248 11.832 786 1HE2 GLN 102 1HE2 GLN 102 -6.005 1.830 13.374 787 2HE2 GLN 102 2HE2 GLN 102 -5.643 3.165 12.326 788 H TYR 103 H TYR 103 -7.675 -1.699 7.789 789 HA TYR 103 HA TYR 103 -10.168 -1.266 6.377 790 1HB TYR 103 1HB TYR 103 -8.369 -0.481 5.220 791 2HB TYR 103 2HB TYR 103 -7.345 -1.828 5.552 792 HD1 TYR 103 1HD TYR 103 -10.398 -0.832 3.622 793 HD2 TYR 103 2HD TYR 103 -7.195 -3.699 4.054 794 HE1 TYR 103 1HE TYR 103 -11.104 -1.921 1.535 795 HE2 TYR 103 2HE TYR 103 -7.868 -4.761 1.903 796 HH TYR 103 HH TYR 103 -10.153 -5.005 0.657 797 H LEU 104 H LEU 104 -8.245 -4.237 7.063 798 HA LEU 104 HA LEU 104 -10.051 -5.857 5.515 799 1HB LEU 104 1HB LEU 104 -8.115 -6.589 7.749 800 2HB LEU 104 2HB LEU 104 -9.050 -7.767 6.843 801 HG LEU 104 HG LEU 104 -6.934 -5.900 5.677 802 1HD1 LEU 104 1HD1 LEU 104 -6.140 -7.890 7.003 803 2HD1 LEU 104 2HD1 LEU 104 -7.005 -8.929 5.836 804 3HD1 LEU 104 3HD1 LEU 104 -5.660 -7.923 5.295 805 1HD2 LEU 104 1HD2 LEU 104 -8.705 -7.928 4.292 806 2HD2 LEU 104 2HD2 LEU 104 -8.608 -6.175 3.966 807 3HD2 LEU 104 3HD2 LEU 104 -7.228 -7.208 3.575 808 H SER 105 H SER 105 -10.272 -4.429 8.679 809 HA SER 105 HA SER 105 -12.555 -6.052 9.570 810 1HB SER 105 1HB SER 105 -11.192 -3.512 10.512 811 2HB SER 105 2HB SER 105 -12.769 -3.961 11.132 812 HG SER 105 HG SER 105 -11.084 -4.714 12.409 813 H GLY 106 H GLY 106 -12.209 -3.674 7.130 814 1HA GLY 106 1HA GLY 106 -13.855 -2.875 5.763 815 2HA GLY 106 2HA GLY 106 -15.098 -3.290 6.941 816 H GLN 107 H GLN 107 -12.630 -1.546 8.545 817 HA GLN 107 HA GLN 107 -14.478 0.536 9.198 818 1HB GLN 107 1HB GLN 107 -11.442 0.528 9.536 819 2HB GLN 107 2HB GLN 107 -12.589 1.599 10.311 820 1HG GLN 107 1HG GLN 107 -13.544 -0.263 11.575 821 2HG GLN 107 2HG GLN 107 -12.393 -1.374 10.818 822 1HE2 GLN 107 1HE2 GLN 107 -11.577 -1.851 13.099 823 2HE2 GLN 107 2HE2 GLN 107 -10.429 -0.706 13.775 824 H LEU 108 H LEU 108 -11.785 0.379 6.961 825 HA LEU 108 HA LEU 108 -11.360 3.176 6.835 826 1HB LEU 108 1HB LEU 108 -10.141 0.744 5.805 827 2HB LEU 108 2HB LEU 108 -10.129 1.841 4.521 828 HG LEU 108 HG LEU 108 -8.090 2.277 5.449 829 1HD1 LEU 108 1HD1 LEU 108 -9.554 4.106 7.373 830 2HD1 LEU 108 2HD1 LEU 108 -7.947 4.262 6.733 831 3HD1 LEU 108 3HD1 LEU 108 -9.312 4.500 5.628 832 1HD2 LEU 108 1HD2 LEU 108 -8.197 0.719 7.245 833 2HD2 LEU 108 2HD2 LEU 108 -7.577 2.233 7.876 834 3HD2 LEU 108 3HD2 LEU 108 -9.269 1.789 8.190 835 H LYS 109 H LYS 109 -11.223 4.462 4.622 836 HA LYS 109 HA LYS 109 -13.658 3.891 3.014 837 1HB LYS 109 1HB LYS 109 -13.385 6.073 4.848 838 2HB LYS 109 2HB LYS 109 -13.233 6.754 3.264 839 1HG LYS 109 1HG LYS 109 -15.498 6.898 3.677 840 2HG LYS 109 2HG LYS 109 -15.384 5.497 2.634 841 1HD LYS 109 1HD LYS 109 -15.195 4.764 5.511 842 2HD LYS 109 2HD LYS 109 -16.637 5.720 5.161 843 1HE LYS 109 1HE LYS 109 -17.078 4.059 3.236 844 2HE LYS 109 2HE LYS 109 -15.836 3.039 3.996 845 1HZ LYS 109 1HZ LYS 109 -17.188 3.138 6.038 846 2HZ LYS 109 2HZ LYS 109 -18.338 3.993 5.236 847 3HZ LYS 109 3HZ LYS 109 -18.014 2.441 4.802 848 H ASP 110 H ASP 110 -13.751 5.064 1.068 849 HA ASP 110 HA ASP 110 -11.116 5.277 -0.277 850 1HB ASP 110 1HB ASP 110 -11.774 3.708 -1.964 851 2HB ASP 110 2HB ASP 110 -11.892 2.946 -0.391 852 H SER 111 H SER 111 -12.571 7.438 0.423 853 HA SER 111 HA SER 111 -14.552 8.560 -1.052 854 1HB SER 111 1HB SER 111 -11.981 9.608 0.131 855 2HB SER 111 2HB SER 111 -12.995 10.705 -0.826 856 HG SER 111 HG SER 111 -14.553 10.567 0.623 857 H ASP 112 H ASP 112 -14.581 10.129 -2.815 858 HA ASP 112 HA ASP 112 -13.031 9.009 -5.018 859 1HB ASP 112 1HB ASP 112 -15.097 8.279 -6.041 860 2HB ASP 112 2HB ASP 112 -14.810 7.493 -4.508 861 H TYR 113 H TYR 113 -12.586 10.380 -6.383 862 HA TYR 113 HA TYR 113 -13.175 13.176 -5.841 863 1HB TYR 113 1HB TYR 113 -10.918 11.717 -5.933 864 2HB TYR 113 2HB TYR 113 -10.949 12.204 -7.608 865 HD1 TYR 113 1HD TYR 113 -11.514 14.900 -7.882 866 HD2 TYR 113 2HD TYR 113 -9.842 13.012 -4.382 867 HE1 TYR 113 1HE TYR 113 -10.451 17.042 -7.232 868 HE2 TYR 113 2HE TYR 113 -8.681 15.148 -3.793 869 HH TYR 113 HH TYR 113 -8.777 17.944 -6.042 870 H GLU 114 H GLU 114 -14.408 14.357 -7.139 871 HA GLU 114 HA GLU 114 -15.561 13.384 -9.516 872 1HB GLU 114 1HB GLU 114 -16.597 15.677 -9.610 873 2HB GLU 114 2HB GLU 114 -16.821 14.810 -8.095 874 1HG GLU 114 1HG GLU 114 -14.946 16.144 -7.080 875 2HG GLU 114 2HG GLU 114 -14.802 17.036 -8.601 876 H VAL 115 H VAL 115 -15.422 13.895 -11.584 877 HA VAL 115 HA VAL 115 -14.229 14.080 -13.518 878 HB VAL 115 HB VAL 115 -14.601 17.025 -12.869 879 1HG1 VAL 115 1HG1 VAL 115 -13.565 16.614 -15.063 880 2HG1 VAL 115 2HG1 VAL 115 -14.770 15.367 -15.426 881 3HG1 VAL 115 3HG1 VAL 115 -15.245 17.070 -15.314 882 1HG2 VAL 115 1HG2 VAL 115 -16.648 15.908 -12.187 883 2HG2 VAL 115 2HG2 VAL 115 -16.932 16.704 -13.724 884 3HG2 VAL 115 3HG2 VAL 115 -16.680 14.946 -13.685 885 H HIS 116 H HIS 116 -12.329 13.232 -12.201 886 HA HIS 116 HA HIS 116 -10.193 13.059 -11.762 887 1HB HIS 116 1HB HIS 116 -9.953 13.519 -14.113 888 2HB HIS 116 2HB HIS 116 -9.737 15.235 -13.805 889 HD1 HIS 116 1HD HIS 116 -7.755 12.207 -14.362 890 HD2 HIS 116 2HD HIS 116 -7.424 15.897 -12.313 891 HE1 HIS 116 1HE HIS 116 -5.257 12.702 -14.133 892 HE2 HIS 116 2HE HIS 116 -5.065 14.984 -12.915 893 H ASP 117 H ASP 117 -10.485 16.620 -12.041 894 HA ASP 117 HA ASP 117 -10.606 17.150 -9.363 895 1HB ASP 117 1HB ASP 117 -8.387 16.500 -8.865 896 2HB ASP 117 2HB ASP 117 -7.733 17.238 -10.333 897 H HIS 118 H HIS 118 -9.256 18.331 -12.432 898 HA HIS 118 HA HIS 118 -9.788 20.079 -13.716 899 1HB HIS 118 1HB HIS 118 -12.179 19.501 -12.332 900 2HB HIS 118 2HB HIS 118 -12.014 21.236 -12.190 901 HD1 HIS 118 1HD HIS 118 -14.134 19.328 -14.068 902 HD2 HIS 118 2HD HIS 118 -10.910 21.866 -15.163 903 HE1 HIS 118 1HE HIS 118 -14.505 19.951 -16.473 904 HE2 HIS 118 2HE HIS 118 -12.582 21.466 -17.197 905 H HIS 119 H HIS 119 -8.547 20.672 -10.587 906 HA HIS 119 HA HIS 119 -9.055 23.526 -10.597 907 1HB HIS 119 1HB HIS 119 -8.698 21.745 -8.617 908 2HB HIS 119 2HB HIS 119 -7.006 22.171 -8.834 909 HD1 HIS 119 1HD HIS 119 -6.822 23.467 -6.497 910 HD2 HIS 119 2HD HIS 119 -10.177 24.492 -8.854 911 HE1 HIS 119 1HE HIS 119 -8.078 25.327 -5.248 912 HE2 HIS 119 2HE HIS 119 -10.147 25.907 -6.718 913 H HIS 120 H HIS 120 -7.496 25.174 -10.814 914 HA HIS 120 HA HIS 120 -6.005 26.344 -11.898 915 1HB HIS 120 1HB HIS 120 -4.095 23.993 -11.830 916 2HB HIS 120 2HB HIS 120 -3.693 25.651 -12.192 917 HD1 HIS 120 1HD HIS 120 -1.832 25.587 -10.272 918 HD2 HIS 120 2HD HIS 120 -5.845 25.080 -8.988 919 HE1 HIS 120 1HE HIS 120 -1.853 25.737 -7.700 920 HE2 HIS 120 2HE HIS 120 -4.241 25.449 -6.933 921 H HIS 121 H HIS 121 -4.827 26.577 -14.061 922 HA HIS 121 HA HIS 121 -5.130 24.366 -15.931 923 1HB HIS 121 1HB HIS 121 -6.374 27.101 -16.421 924 2HB HIS 121 2HB HIS 121 -5.877 26.044 -17.743 925 HD1 HIS 121 1HD HIS 121 -8.578 26.261 -15.035 926 HD2 HIS 121 2HD HIS 121 -7.187 23.702 -18.090 927 HE1 HIS 121 1HE HIS 121 -10.354 24.445 -15.322 928 HE2 HIS 121 2HE HIS 121 -9.466 22.856 -17.216 929 H GLU 122 H GLU 122 -3.639 24.684 -17.805 930 HA GLU 122 HA GLU 122 -1.262 26.194 -16.897 931 1HB GLU 122 1HB GLU 122 0.016 24.733 -18.303 932 2HB GLU 122 2HB GLU 122 -1.025 23.850 -17.199 933 1HG GLU 122 1HG GLU 122 -2.623 23.966 -19.474 934 2HG GLU 122 2HG GLU 122 -1.004 23.921 -20.173 935 H HIS 123 H HIS 123 -3.441 26.186 -19.687 936 HA HIS 123 HA HIS 123 -3.884 27.725 -21.223 937 1HB HIS 123 1HB HIS 123 -3.624 29.329 -19.282 938 2HB HIS 123 2HB HIS 123 -1.977 29.629 -19.817 939 HD1 HIS 123 1HD HIS 123 -1.722 31.528 -21.589 940 HD2 HIS 123 2HD HIS 123 -5.581 29.818 -21.352 941 HE1 HIS 123 1HE HIS 123 -3.212 32.868 -23.211 942 HE2 HIS 123 2HE HIS 123 -5.564 31.813 -23.072 943 H HIS 124 H HIS 124 -0.419 26.993 -20.838 944 HA HIS 124 HA HIS 124 -0.215 26.770 -23.680 945 1HB HIS 124 1HB HIS 124 0.564 29.069 -23.669 946 2HB HIS 124 2HB HIS 124 1.442 28.825 -22.147 947 HD1 HIS 124 1HD HIS 124 1.679 26.810 -25.474 948 HD2 HIS 124 2HD HIS 124 3.978 28.607 -22.433 949 HE1 HIS 124 1HE HIS 124 4.128 26.198 -25.941 950 HE2 HIS 124 2HE HIS 124 5.504 27.252 -24.066
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