NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18460 | 2dmn | 10291 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 17.118 -25.970 0.493 2 HA2 GLY 1 1HA GLY 1 15.553 -27.885 1.770 3 HA3 GLY 1 2HA GLY 1 15.818 -26.593 2.932 4 H SER 2 H SER 2 13.530 -27.677 1.059 5 HA SER 2 HA SER 2 12.533 -24.990 0.410 6 HB2 SER 2 1HB SER 2 12.425 -27.431 -1.372 7 HB3 SER 2 2HB SER 2 11.466 -25.976 -1.647 8 HG SER 2 HG SER 2 14.091 -25.402 -1.250 9 H SER 3 H SER 3 10.230 -24.790 0.389 10 HA SER 3 HA SER 3 8.463 -26.888 1.029 11 HB2 SER 3 1HB SER 3 9.862 -26.547 3.201 12 HB3 SER 3 2HB SER 3 8.883 -25.095 3.404 13 HG SER 3 HG SER 3 8.178 -27.759 3.634 14 H GLY 4 H GLY 4 6.311 -25.939 1.919 15 HA2 GLY 4 1HA GLY 4 5.800 -23.165 1.498 16 HA3 GLY 4 2HA GLY 4 5.306 -24.115 0.105 17 H SER 5 H SER 5 3.306 -22.841 1.130 18 HA SER 5 HA SER 5 1.777 -24.902 2.537 19 HB2 SER 5 1HB SER 5 2.731 -22.973 4.064 20 HB3 SER 5 2HB SER 5 1.385 -22.058 3.385 21 HG SER 5 HG SER 5 0.850 -24.619 4.349 22 H SER 6 H SER 6 -0.616 -24.269 2.582 23 HA SER 6 HA SER 6 -1.378 -22.685 0.238 24 HB2 SER 6 1HB SER 6 -2.168 -25.556 0.753 25 HB3 SER 6 2HB SER 6 -3.025 -24.508 -0.377 26 HG SER 6 HG SER 6 -0.269 -25.186 -0.493 27 H GLY 7 H GLY 7 -3.783 -22.324 0.165 28 HA2 GLY 7 1HA GLY 7 -5.407 -22.753 2.435 29 HA3 GLY 7 2HA GLY 7 -4.667 -21.163 2.548 30 H LYS 8 H LYS 8 -7.440 -22.541 1.788 31 HA LYS 8 HA LYS 8 -8.040 -20.576 -0.323 32 HB2 LYS 8 1HB LYS 8 -8.743 -23.468 -0.133 33 HB3 LYS 8 2HB LYS 8 -9.919 -22.377 -0.853 34 HG2 LYS 8 1HG LYS 8 -7.061 -22.536 -1.767 35 HG3 LYS 8 2HG LYS 8 -8.354 -23.523 -2.452 36 HD2 LYS 8 1HD LYS 8 -9.557 -21.526 -3.126 37 HD3 LYS 8 2HD LYS 8 -8.334 -20.505 -2.364 38 HE2 LYS 8 1HE LYS 8 -7.626 -20.447 -4.543 39 HE3 LYS 8 2HE LYS 8 -6.708 -21.829 -3.946 40 HZ1 LYS 8 1HZ LYS 8 -8.908 -21.743 -5.843 41 HZ2 LYS 8 2HZ LYS 8 -8.925 -23.039 -4.756 42 HZ3 LYS 8 3HZ LYS 8 -7.587 -22.797 -5.763 43 H LYS 9 H LYS 9 -9.412 -19.083 0.361 44 HA LYS 9 HA LYS 9 -11.727 -19.823 1.942 45 HB2 LYS 9 1HB LYS 9 -9.475 -18.161 2.994 46 HB3 LYS 9 2HB LYS 9 -11.120 -17.760 3.471 47 HG2 LYS 9 1HG LYS 9 -11.376 -20.143 4.220 48 HG3 LYS 9 2HG LYS 9 -9.642 -20.333 3.951 49 HD2 LYS 9 1HD LYS 9 -9.164 -18.600 5.570 50 HD3 LYS 9 2HD LYS 9 -10.888 -18.277 5.777 51 HE2 LYS 9 1HE LYS 9 -10.050 -19.631 7.611 52 HE3 LYS 9 2HE LYS 9 -11.199 -20.551 6.641 53 HZ1 LYS 9 1HZ LYS 9 -9.615 -22.102 6.622 54 HZ2 LYS 9 2HZ LYS 9 -8.402 -21.030 7.114 55 HZ3 LYS 9 3HZ LYS 9 -8.829 -21.132 5.480 56 H ARG 10 H ARG 10 -13.120 -17.812 2.347 57 HA ARG 10 HA ARG 10 -12.841 -15.902 0.128 58 HB2 ARG 10 1HB ARG 10 -15.312 -16.001 -0.175 59 HB3 ARG 10 2HB ARG 10 -14.492 -17.501 -0.587 60 HG2 ARG 10 1HG ARG 10 -15.075 -18.076 1.932 61 HG3 ARG 10 2HG ARG 10 -16.358 -16.902 1.635 62 HD2 ARG 10 1HD ARG 10 -15.883 -19.047 -0.376 63 HD3 ARG 10 2HD ARG 10 -16.699 -19.466 1.130 64 HE ARG 10 HE ARG 10 -17.779 -17.972 -1.057 65 HH11 ARG 10 2HH1 ARG 10 -17.927 -18.445 2.388 66 HH12 ARG 10 1HH1 ARG 10 -19.561 -17.885 2.527 67 HH21 ARG 10 2HH2 ARG 10 -19.930 -17.232 -0.888 68 HH22 ARG 10 1HH2 ARG 10 -20.699 -17.195 0.662 69 H LYS 11 H LYS 11 -12.905 -13.861 0.784 70 HA LYS 11 HA LYS 11 -14.630 -13.042 2.962 71 HB2 LYS 11 1HB LYS 11 -12.403 -13.806 3.959 72 HB3 LYS 11 2HB LYS 11 -11.691 -12.408 3.164 73 HG2 LYS 11 1HG LYS 11 -12.113 -11.717 5.357 74 HG3 LYS 11 2HG LYS 11 -13.419 -11.015 4.399 75 HD2 LYS 11 1HD LYS 11 -14.960 -12.672 5.140 76 HD3 LYS 11 2HD LYS 11 -13.673 -13.631 5.872 77 HE2 LYS 11 1HE LYS 11 -14.486 -12.592 7.735 78 HE3 LYS 11 2HE LYS 11 -13.277 -11.408 7.241 79 HZ1 LYS 11 1HZ LYS 11 -16.209 -11.282 6.958 80 HZ2 LYS 11 2HZ LYS 11 -15.213 -10.366 5.945 81 HZ3 LYS 11 3HZ LYS 11 -15.154 -10.137 7.620 82 H GLY 12 H GLY 12 -14.868 -10.736 3.115 83 HA2 GLY 12 1HA GLY 12 -14.765 -9.457 0.563 84 HA3 GLY 12 2HA GLY 12 -15.300 -8.728 2.070 85 H ASN 13 H ASN 13 -14.240 -6.802 1.912 86 HA ASN 13 HA ASN 13 -11.698 -6.316 0.964 87 HB2 ASN 13 1HB ASN 13 -13.548 -4.679 1.797 88 HB3 ASN 13 2HB ASN 13 -12.731 -4.817 3.352 89 HD21 ASN 13 1HD2 ASN 13 -12.401 -3.809 0.023 90 HD22 ASN 13 2HD2 ASN 13 -11.045 -2.768 0.271 91 H LEU 14 H LEU 14 -9.902 -5.378 2.514 92 HA LEU 14 HA LEU 14 -9.245 -7.550 4.379 93 HB2 LEU 14 1HB LEU 14 -7.343 -5.515 3.250 94 HB3 LEU 14 2HB LEU 14 -6.956 -7.047 4.032 95 HG LEU 14 HG LEU 14 -8.428 -6.934 1.414 96 HD11 LEU 14 1HD1 LEU 14 -5.919 -7.595 0.691 97 HD12 LEU 14 2HD1 LEU 14 -5.581 -6.424 1.966 98 HD13 LEU 14 3HD1 LEU 14 -6.575 -5.961 0.585 99 HD21 LEU 14 1HD2 LEU 14 -6.681 -9.146 1.718 100 HD22 LEU 14 2HD2 LEU 14 -8.443 -9.139 1.647 101 HD23 LEU 14 3HD2 LEU 14 -7.622 -8.991 3.201 102 HA PRO 15 HA PRO 15 -9.484 -4.897 7.872 103 HB2 PRO 15 1HB PRO 15 -7.603 -6.020 9.476 104 HB3 PRO 15 2HB PRO 15 -9.169 -6.776 9.156 105 HG2 PRO 15 1HG PRO 15 -6.505 -7.339 7.913 106 HG3 PRO 15 2HG PRO 15 -7.747 -8.480 8.461 107 HD2 PRO 15 1HD PRO 15 -7.429 -7.814 5.856 108 HD3 PRO 15 2HD PRO 15 -9.012 -8.214 6.552 109 H ALA 16 H ALA 16 -8.711 -2.920 8.256 110 HA ALA 16 HA ALA 16 -6.776 -1.576 7.023 111 HB1 ALA 16 1HB ALA 16 -6.712 -0.988 9.895 112 HB2 ALA 16 2HB ALA 16 -7.113 0.053 8.529 113 HB3 ALA 16 3HB ALA 16 -8.328 -1.041 9.189 114 H GLU 17 H GLU 17 -6.068 -2.948 10.243 115 HA GLU 17 HA GLU 17 -3.432 -2.613 10.467 116 HB2 GLU 17 1HB GLU 17 -5.150 -4.124 11.822 117 HB3 GLU 17 2HB GLU 17 -4.341 -5.412 10.941 118 HG2 GLU 17 1HG GLU 17 -3.028 -5.365 12.781 119 HG3 GLU 17 2HG GLU 17 -2.184 -4.155 11.817 120 H SER 18 H SER 18 -4.923 -5.113 8.446 121 HA SER 18 HA SER 18 -2.412 -6.148 7.532 122 HB2 SER 18 1HB SER 18 -5.250 -6.559 6.568 123 HB3 SER 18 2HB SER 18 -3.856 -7.394 5.883 124 HG SER 18 HG SER 18 -4.024 -7.512 8.627 125 H VAL 19 H VAL 19 -4.946 -4.111 6.099 126 HA VAL 19 HA VAL 19 -3.958 -3.763 3.563 127 HB VAL 19 HB VAL 19 -5.257 -1.662 5.303 128 HG11 VAL 19 1HG1 VAL 19 -5.704 -0.405 3.366 129 HG12 VAL 19 2HG1 VAL 19 -4.003 -0.856 3.240 130 HG13 VAL 19 3HG1 VAL 19 -5.218 -1.722 2.299 131 HG21 VAL 19 1HG2 VAL 19 -6.675 -3.168 3.161 132 HG22 VAL 19 2HG2 VAL 19 -6.388 -3.965 4.708 133 HG23 VAL 19 3HG2 VAL 19 -7.304 -2.459 4.648 134 H LYS 20 H LYS 20 -3.079 -1.923 6.473 135 HA LYS 20 HA LYS 20 -1.454 0.013 5.544 136 HB2 LYS 20 1HB LYS 20 -1.813 -0.358 7.924 137 HB3 LYS 20 2HB LYS 20 -0.857 -1.833 7.863 138 HG2 LYS 20 1HG LYS 20 1.082 -0.388 7.124 139 HG3 LYS 20 2HG LYS 20 0.087 1.001 7.566 140 HD2 LYS 20 1HD LYS 20 -0.186 -0.317 9.822 141 HD3 LYS 20 2HD LYS 20 1.311 -1.094 9.302 142 HE2 LYS 20 1HE LYS 20 2.042 1.408 8.872 143 HE3 LYS 20 2HE LYS 20 0.800 1.732 10.081 144 HZ1 LYS 20 1HZ LYS 20 2.816 1.482 11.240 145 HZ2 LYS 20 2HZ LYS 20 3.242 0.085 10.387 146 HZ3 LYS 20 3HZ LYS 20 1.968 0.041 11.499 147 H ILE 21 H ILE 21 -0.572 -3.404 5.837 148 HA ILE 21 HA ILE 21 2.117 -3.178 5.089 149 HB ILE 21 HB ILE 21 0.171 -5.457 4.765 150 HG12 ILE 21 1HG1 ILE 21 1.959 -6.308 6.560 151 HG13 ILE 21 2HG1 ILE 21 2.133 -4.577 6.825 152 HG21 ILE 21 1HG2 ILE 21 2.822 -6.413 4.709 153 HG22 ILE 21 2HG2 ILE 21 1.610 -6.488 3.430 154 HG23 ILE 21 3HG2 ILE 21 2.716 -5.117 3.517 155 HD11 ILE 21 1HD1 ILE 21 -0.017 -4.351 7.616 156 HD12 ILE 21 2HD1 ILE 21 -0.579 -5.818 6.812 157 HD13 ILE 21 3HD1 ILE 21 0.449 -5.933 8.240 158 H LEU 22 H LEU 22 -0.784 -3.728 3.120 159 HA LEU 22 HA LEU 22 0.629 -3.897 0.654 160 HB2 LEU 22 1HB LEU 22 -2.269 -3.362 1.276 161 HB3 LEU 22 2HB LEU 22 -1.637 -3.581 -0.354 162 HG LEU 22 HG LEU 22 -1.675 -5.643 1.848 163 HD11 LEU 22 1HD1 LEU 22 -3.069 -6.759 -0.096 164 HD12 LEU 22 2HD1 LEU 22 -3.385 -5.075 -0.512 165 HD13 LEU 22 3HD1 LEU 22 -3.821 -5.685 1.084 166 HD21 LEU 22 1HD2 LEU 22 0.106 -6.465 0.762 167 HD22 LEU 22 2HD2 LEU 22 -0.169 -5.458 -0.659 168 HD23 LEU 22 3HD2 LEU 22 -1.071 -6.960 -0.455 169 H ARG 23 H ARG 23 -1.331 -1.326 2.147 170 HA ARG 23 HA ARG 23 -1.070 0.600 0.175 171 HB2 ARG 23 1HB ARG 23 -1.544 0.674 3.115 172 HB3 ARG 23 2HB ARG 23 -1.142 2.186 2.312 173 HG2 ARG 23 1HG ARG 23 -3.025 1.734 0.721 174 HG3 ARG 23 2HG ARG 23 -3.480 0.379 1.757 175 HD2 ARG 23 1HD ARG 23 -3.241 3.243 2.672 176 HD3 ARG 23 2HD ARG 23 -4.753 2.455 2.225 177 HE ARG 23 HE ARG 23 -3.773 0.815 4.124 178 HH11 ARG 23 2HH1 ARG 23 -4.264 4.260 4.000 179 HH12 ARG 23 1HH1 ARG 23 -4.544 4.413 5.703 180 HH21 ARG 23 2HH2 ARG 23 -4.140 1.004 6.367 181 HH22 ARG 23 1HH2 ARG 23 -4.473 2.560 7.048 182 H ASP 24 H ASP 24 0.896 0.392 3.147 183 HA ASP 24 HA ASP 24 2.722 2.319 2.797 184 HB2 ASP 24 1HB ASP 24 2.631 0.386 4.543 185 HB3 ASP 24 2HB ASP 24 3.751 -0.424 3.452 186 H TRP 25 H TRP 25 2.704 -0.754 1.056 187 HA TRP 25 HA TRP 25 5.119 -0.149 -0.389 188 HB2 TRP 25 1HB TRP 25 4.601 -2.467 0.083 189 HB3 TRP 25 2HB TRP 25 3.052 -2.328 -0.743 190 HD1 TRP 25 HD TRP 25 6.682 -3.067 -1.358 191 HE1 TRP 25 1HE TRP 25 7.054 -3.557 -3.858 192 HE3 TRP 25 3HE TRP 25 2.133 -1.586 -3.162 193 HZ2 TRP 25 2HZ TRP 25 5.610 -3.343 -6.274 194 HZ3 TRP 25 3HZ TRP 25 1.709 -1.761 -5.579 195 HH2 TRP 25 HH TRP 25 3.413 -2.621 -7.101 196 H MET 26 H MET 26 1.648 -0.156 -1.087 197 HA MET 26 HA MET 26 1.777 0.408 -3.818 198 HB2 MET 26 1HB MET 26 -0.302 -0.259 -2.786 199 HB3 MET 26 2HB MET 26 -0.305 1.175 -1.767 200 HG2 MET 26 1HG MET 26 -0.392 2.515 -3.924 201 HG3 MET 26 2HG MET 26 -0.766 0.989 -4.722 202 HE1 MET 26 1HE MET 26 -3.159 0.021 -4.892 203 HE2 MET 26 2HE MET 26 -4.429 1.234 -4.737 204 HE3 MET 26 3HE MET 26 -2.984 1.587 -5.684 205 H TYR 27 H TYR 27 2.352 2.422 -1.069 206 HA TYR 27 HA TYR 27 1.943 4.932 -2.351 207 HB2 TYR 27 1HB TYR 27 1.902 4.644 0.108 208 HB3 TYR 27 2HB TYR 27 3.625 4.287 0.079 209 HD1 TYR 27 2HD TYR 27 1.262 6.945 -1.076 210 HD2 TYR 27 1HD TYR 27 5.085 6.012 0.542 211 HE1 TYR 27 2HE TYR 27 1.757 9.346 -0.876 212 HE2 TYR 27 1HE TYR 27 5.590 8.410 0.748 213 HH TYR 27 HH TYR 27 3.211 10.825 0.402 214 H LYS 28 H LYS 28 4.984 3.439 -1.230 215 HA LYS 28 HA LYS 28 6.728 5.114 -2.573 216 HB2 LYS 28 1HB LYS 28 6.960 2.250 -1.687 217 HB3 LYS 28 2HB LYS 28 8.288 3.051 -2.517 218 HG2 LYS 28 1HG LYS 28 8.490 4.674 -0.780 219 HG3 LYS 28 2HG LYS 28 7.015 4.099 0.000 220 HD2 LYS 28 1HD LYS 28 9.224 2.156 -0.443 221 HD3 LYS 28 2HD LYS 28 9.412 3.355 0.838 222 HE2 LYS 28 1HE LYS 28 6.980 1.603 0.571 223 HE3 LYS 28 2HE LYS 28 8.393 1.144 1.520 224 HZ1 LYS 28 1HZ LYS 28 6.674 2.175 2.883 225 HZ2 LYS 28 2HZ LYS 28 6.758 3.585 1.953 226 HZ3 LYS 28 3HZ LYS 28 8.088 3.104 2.881 227 H HIS 29 H HIS 29 5.007 2.286 -3.743 228 HA HIS 29 HA HIS 29 6.306 2.539 -6.358 229 HB2 HIS 29 1HB HIS 29 4.433 0.390 -5.342 230 HB3 HIS 29 2HB HIS 29 5.300 0.369 -6.874 231 HD1 HIS 29 1HD HIS 29 7.976 0.216 -6.665 232 HD2 HIS 29 2HD HIS 29 5.811 -0.650 -3.226 233 HE1 HIS 29 1HE HIS 29 9.576 -0.996 -5.150 234 HE2 HIS 29 2HE HIS 29 8.220 -1.585 -3.111 235 H ARG 30 H ARG 30 3.808 3.930 -4.863 236 HA ARG 30 HA ARG 30 1.482 3.684 -6.168 237 HB2 ARG 30 1HB ARG 30 1.051 6.019 -5.812 238 HB3 ARG 30 2HB ARG 30 2.025 5.434 -4.470 239 HG2 ARG 30 1HG ARG 30 4.027 6.316 -5.840 240 HG3 ARG 30 2HG ARG 30 2.806 7.235 -6.722 241 HD2 ARG 30 1HD ARG 30 2.015 7.910 -4.321 242 HD3 ARG 30 2HD ARG 30 3.655 7.447 -3.867 243 HE ARG 30 HE ARG 30 3.580 9.236 -6.102 244 HH11 ARG 30 2HH1 ARG 30 3.488 9.034 -2.627 245 HH12 ARG 30 1HH1 ARG 30 4.094 10.640 -2.388 246 HH21 ARG 30 2HH2 ARG 30 4.379 11.351 -5.800 247 HH22 ARG 30 1HH2 ARG 30 4.600 11.957 -4.193 248 H PHE 31 H PHE 31 4.428 4.993 -7.538 249 HA PHE 31 HA PHE 31 3.670 6.308 -9.766 250 HB2 PHE 31 1HB PHE 31 5.808 4.171 -9.631 251 HB3 PHE 31 2HB PHE 31 5.667 5.378 -10.905 252 HD1 PHE 31 1HD PHE 31 5.371 7.876 -9.825 253 HD2 PHE 31 2HD PHE 31 7.447 4.586 -8.097 254 HE1 PHE 31 1HE PHE 31 6.735 9.437 -8.499 255 HE2 PHE 31 2HE PHE 31 8.813 6.141 -6.768 256 HZ PHE 31 HZ PHE 31 8.458 8.570 -6.967 257 H LYS 32 H LYS 32 3.804 2.769 -9.478 258 HA LYS 32 HA LYS 32 2.098 2.597 -11.876 259 HB2 LYS 32 1HB LYS 32 3.133 0.584 -12.492 260 HB3 LYS 32 2HB LYS 32 4.464 1.605 -11.964 261 HG2 LYS 32 1HG LYS 32 3.947 0.406 -9.649 262 HG3 LYS 32 2HG LYS 32 3.347 -0.845 -10.740 263 HD2 LYS 32 1HD LYS 32 5.627 -1.347 -10.325 264 HD3 LYS 32 2HD LYS 32 5.550 -0.677 -11.956 265 HE2 LYS 32 1HE LYS 32 5.994 1.583 -10.650 266 HE3 LYS 32 2HE LYS 32 6.699 0.480 -9.469 267 HZ1 LYS 32 1HZ LYS 32 7.457 0.233 -12.297 268 HZ2 LYS 32 2HZ LYS 32 8.343 -0.160 -10.912 269 HZ3 LYS 32 3HZ LYS 32 8.153 1.459 -11.362 270 H ALA 33 H ALA 33 2.491 1.774 -8.549 271 HA ALA 33 HA ALA 33 1.207 0.626 -7.052 272 HB1 ALA 33 1HB ALA 33 -1.233 0.937 -7.318 273 HB2 ALA 33 2HB ALA 33 -0.319 2.433 -7.508 274 HB3 ALA 33 3HB ALA 33 -0.943 1.596 -8.928 275 H TYR 34 H TYR 34 2.356 -0.968 -9.136 276 HA TYR 34 HA TYR 34 0.429 -3.184 -9.126 277 HB2 TYR 34 1HB TYR 34 1.986 -2.138 -11.483 278 HB3 TYR 34 2HB TYR 34 1.384 -3.791 -11.432 279 HD1 TYR 34 1HD TYR 34 -1.201 -3.960 -10.772 280 HD2 TYR 34 2HD TYR 34 0.665 -0.555 -12.512 281 HE1 TYR 34 1HE TYR 34 -3.386 -3.194 -11.603 282 HE2 TYR 34 2HE TYR 34 -1.515 0.220 -13.347 283 HH TYR 34 HH TYR 34 -3.670 -0.312 -13.638 284 HA PRO 35 HA PRO 35 4.289 -4.735 -7.292 285 HB2 PRO 35 1HB PRO 35 3.063 -6.704 -5.881 286 HB3 PRO 35 2HB PRO 35 3.150 -5.030 -5.319 287 HG2 PRO 35 1HG PRO 35 0.898 -6.457 -6.680 288 HG3 PRO 35 2HG PRO 35 0.846 -5.346 -5.299 289 HD2 PRO 35 1HD PRO 35 0.228 -4.569 -7.818 290 HD3 PRO 35 2HD PRO 35 0.979 -3.475 -6.638 291 H SER 36 H SER 36 5.268 -6.917 -7.307 292 HA SER 36 HA SER 36 4.421 -8.401 -9.701 293 HB2 SER 36 1HB SER 36 7.133 -8.378 -8.354 294 HB3 SER 36 2HB SER 36 6.728 -9.176 -9.874 295 HG SER 36 HG SER 36 6.315 -6.408 -9.541 296 H GLU 37 H GLU 37 4.535 -10.709 -9.689 297 HA GLU 37 HA GLU 37 3.216 -12.055 -7.796 298 HB2 GLU 37 1HB GLU 37 5.494 -12.991 -9.519 299 HB3 GLU 37 2HB GLU 37 4.662 -14.098 -8.436 300 HG2 GLU 37 1HG GLU 37 2.637 -13.888 -9.595 301 HG3 GLU 37 2HG GLU 37 3.181 -12.448 -10.453 302 H GLU 38 H GLU 38 6.557 -11.071 -7.578 303 HA GLU 38 HA GLU 38 7.153 -12.652 -5.260 304 HB2 GLU 38 1HB GLU 38 8.558 -10.454 -6.740 305 HB3 GLU 38 2HB GLU 38 9.138 -10.963 -5.160 306 HG2 GLU 38 1HG GLU 38 10.323 -12.067 -6.996 307 HG3 GLU 38 2HG GLU 38 9.475 -13.212 -5.959 308 H GLU 39 H GLU 39 6.563 -9.185 -5.818 309 HA GLU 39 HA GLU 39 6.758 -8.317 -3.187 310 HB2 GLU 39 1HB GLU 39 4.901 -7.256 -5.325 311 HB3 GLU 39 2HB GLU 39 5.403 -6.397 -3.876 312 HG2 GLU 39 1HG GLU 39 7.280 -7.327 -6.035 313 HG3 GLU 39 2HG GLU 39 6.600 -5.704 -5.929 314 H LYS 40 H LYS 40 3.844 -9.341 -4.959 315 HA LYS 40 HA LYS 40 2.004 -9.022 -2.895 316 HB2 LYS 40 1HB LYS 40 1.670 -11.346 -4.722 317 HB3 LYS 40 2HB LYS 40 0.508 -10.115 -4.247 318 HG2 LYS 40 1HG LYS 40 1.969 -8.522 -5.662 319 HG3 LYS 40 2HG LYS 40 2.608 -10.007 -6.370 320 HD2 LYS 40 1HD LYS 40 0.229 -10.679 -6.841 321 HD3 LYS 40 2HD LYS 40 -0.251 -9.051 -6.354 322 HE2 LYS 40 1HE LYS 40 0.997 -8.071 -8.133 323 HE3 LYS 40 2HE LYS 40 1.768 -9.609 -8.519 324 HZ1 LYS 40 1HZ LYS 40 -0.231 -8.764 -9.917 325 HZ2 LYS 40 2HZ LYS 40 -1.159 -9.398 -8.653 326 HZ3 LYS 40 3HZ LYS 40 -0.115 -10.406 -9.523 327 H GLN 41 H GLN 41 3.513 -12.092 -3.921 328 HA GLN 41 HA GLN 41 2.618 -13.709 -1.894 329 HB2 GLN 41 1HB GLN 41 4.103 -14.240 -3.962 330 HB3 GLN 41 2HB GLN 41 5.447 -13.951 -2.866 331 HG2 GLN 41 1HG GLN 41 4.835 -16.332 -3.080 332 HG3 GLN 41 2HG GLN 41 4.741 -15.725 -1.428 333 HE21 GLN 41 1HE2 GLN 41 2.762 -15.563 -0.423 334 HE22 GLN 41 2HE2 GLN 41 1.325 -16.278 -1.064 335 H MET 42 H MET 42 5.209 -11.354 -1.806 336 HA MET 42 HA MET 42 6.331 -12.174 0.669 337 HB2 MET 42 1HB MET 42 7.799 -10.843 -0.495 338 HB3 MET 42 2HB MET 42 6.534 -9.770 -1.077 339 HG2 MET 42 1HG MET 42 6.347 -8.845 1.221 340 HG3 MET 42 2HG MET 42 7.736 -9.828 1.678 341 HE1 MET 42 1HE MET 42 7.622 -6.592 -1.487 342 HE2 MET 42 2HE MET 42 6.280 -7.449 -0.729 343 HE3 MET 42 3HE MET 42 7.012 -6.063 0.081 344 H LEU 43 H LEU 43 4.088 -9.539 -0.178 345 HA LEU 43 HA LEU 43 3.676 -8.648 2.462 346 HB2 LEU 43 1HB LEU 43 1.726 -8.451 0.176 347 HB3 LEU 43 2HB LEU 43 1.815 -7.412 1.596 348 HG LEU 43 HG LEU 43 4.165 -7.526 -0.230 349 HD11 LEU 43 1HD1 LEU 43 1.486 -6.572 -0.966 350 HD12 LEU 43 2HD1 LEU 43 2.851 -7.031 -1.983 351 HD13 LEU 43 3HD1 LEU 43 2.798 -5.428 -1.250 352 HD21 LEU 43 1HD2 LEU 43 2.857 -5.388 1.445 353 HD22 LEU 43 2HD2 LEU 43 4.278 -5.139 0.430 354 HD23 LEU 43 3HD2 LEU 43 4.355 -6.249 1.800 355 H SER 44 H SER 44 1.977 -11.016 0.466 356 HA SER 44 HA SER 44 -0.257 -11.497 2.001 357 HB2 SER 44 1HB SER 44 -0.226 -12.663 -0.013 358 HB3 SER 44 2HB SER 44 1.419 -13.249 0.235 359 HG SER 44 HG SER 44 0.689 -14.819 1.520 360 H GLU 45 H GLU 45 3.041 -12.262 2.692 361 HA GLU 45 HA GLU 45 2.515 -14.265 4.666 362 HB2 GLU 45 1HB GLU 45 4.967 -12.602 4.081 363 HB3 GLU 45 2HB GLU 45 4.916 -13.870 5.297 364 HG2 GLU 45 1HG GLU 45 4.540 -15.544 3.647 365 HG3 GLU 45 2HG GLU 45 4.303 -14.331 2.391 366 H LYS 46 H LYS 46 2.934 -10.784 4.674 367 HA LYS 46 HA LYS 46 2.952 -10.629 7.566 368 HB2 LYS 46 1HB LYS 46 2.760 -8.407 5.524 369 HB3 LYS 46 2HB LYS 46 3.103 -8.218 7.239 370 HG2 LYS 46 1HG LYS 46 5.256 -8.925 7.032 371 HG3 LYS 46 2HG LYS 46 4.899 -9.970 5.655 372 HD2 LYS 46 1HD LYS 46 4.479 -7.789 4.365 373 HD3 LYS 46 2HD LYS 46 5.312 -6.996 5.704 374 HE2 LYS 46 1HE LYS 46 6.494 -9.302 4.174 375 HE3 LYS 46 2HE LYS 46 6.738 -7.619 3.709 376 HZ1 LYS 46 1HZ LYS 46 7.442 -7.441 6.221 377 HZ2 LYS 46 2HZ LYS 46 8.541 -7.926 5.030 378 HZ3 LYS 46 3HZ LYS 46 7.791 -9.083 6.010 379 H THR 47 H THR 47 0.728 -9.943 4.910 380 HA THR 47 HA THR 47 -1.342 -9.005 6.699 381 HB THR 47 HB THR 47 -2.720 -8.753 4.713 382 HG1 THR 47 1HG THR 47 -0.815 -10.471 3.643 383 HG21 THR 47 1HG2 THR 47 0.126 -7.805 4.432 384 HG22 THR 47 2HG2 THR 47 -1.261 -6.917 5.064 385 HG23 THR 47 3HG2 THR 47 -1.163 -7.293 3.344 386 H ASN 48 H ASN 48 -0.408 -11.976 5.170 387 HA ASN 48 HA ASN 48 -1.139 -14.114 5.495 388 HB2 ASN 48 1HB ASN 48 -1.702 -13.111 7.846 389 HB3 ASN 48 2HB ASN 48 -3.366 -13.175 7.271 390 HD21 ASN 48 1HD2 ASN 48 -3.568 -14.650 9.115 391 HD22 ASN 48 2HD2 ASN 48 -3.204 -16.322 8.874 392 H LEU 49 H LEU 49 -2.063 -12.511 3.354 393 HA LEU 49 HA LEU 49 -4.821 -13.471 2.992 394 HB2 LEU 49 1HB LEU 49 -3.428 -11.373 1.349 395 HB3 LEU 49 2HB LEU 49 -5.150 -11.743 1.397 396 HG LEU 49 HG LEU 49 -3.696 -10.666 3.795 397 HD11 LEU 49 1HD1 LEU 49 -3.261 -8.929 2.353 398 HD12 LEU 49 2HD1 LEU 49 -4.843 -8.469 2.980 399 HD13 LEU 49 3HD1 LEU 49 -4.709 -9.221 1.390 400 HD21 LEU 49 1HD2 LEU 49 -6.006 -9.846 4.307 401 HD22 LEU 49 2HD2 LEU 49 -5.828 -11.601 4.303 402 HD23 LEU 49 3HD2 LEU 49 -6.578 -10.787 2.929 403 H SER 50 H SER 50 -5.152 -13.525 0.361 404 HA SER 50 HA SER 50 -3.185 -15.518 -0.548 405 HB2 SER 50 1HB SER 50 -6.135 -15.208 -1.083 406 HB3 SER 50 2HB SER 50 -5.110 -16.208 -2.111 407 HG SER 50 HG SER 50 -6.061 -16.685 0.413 408 H LEU 51 H LEU 51 -2.107 -15.223 -2.412 409 HA LEU 51 HA LEU 51 -1.537 -12.892 -3.563 410 HB2 LEU 51 1HB LEU 51 -1.861 -15.573 -4.870 411 HB3 LEU 51 2HB LEU 51 -1.285 -14.172 -5.772 412 HG LEU 51 HG LEU 51 0.061 -15.347 -3.340 413 HD11 LEU 51 1HD1 LEU 51 1.798 -15.704 -5.357 414 HD12 LEU 51 2HD1 LEU 51 0.277 -15.905 -6.226 415 HD13 LEU 51 3HD1 LEU 51 0.640 -16.929 -4.837 416 HD21 LEU 51 1HD2 LEU 51 1.820 -13.772 -4.840 417 HD22 LEU 51 2HD2 LEU 51 1.145 -13.412 -3.251 418 HD23 LEU 51 3HD2 LEU 51 0.334 -12.832 -4.706 419 H LEU 52 H LEU 52 -4.367 -14.844 -4.400 420 HA LEU 52 HA LEU 52 -5.313 -13.290 -6.524 421 HB2 LEU 52 1HB LEU 52 -6.278 -15.407 -6.230 422 HB3 LEU 52 2HB LEU 52 -6.666 -15.088 -4.540 423 HG LEU 52 HG LEU 52 -8.367 -13.429 -5.332 424 HD11 LEU 52 1HD1 LEU 52 -7.366 -14.410 -7.956 425 HD12 LEU 52 2HD1 LEU 52 -7.863 -12.790 -7.468 426 HD13 LEU 52 3HD1 LEU 52 -9.079 -14.025 -7.792 427 HD21 LEU 52 1HD2 LEU 52 -8.919 -15.748 -4.658 428 HD22 LEU 52 2HD2 LEU 52 -8.768 -16.241 -6.345 429 HD23 LEU 52 3HD2 LEU 52 -10.020 -15.093 -5.870 430 H GLN 53 H GLN 53 -6.067 -13.117 -3.054 431 HA GLN 53 HA GLN 53 -7.872 -10.954 -3.258 432 HB2 GLN 53 1HB GLN 53 -6.273 -12.115 -0.993 433 HB3 GLN 53 2HB GLN 53 -7.249 -10.670 -0.765 434 HG2 GLN 53 1HG GLN 53 -9.244 -11.809 -1.138 435 HG3 GLN 53 2HG GLN 53 -8.432 -13.166 -1.916 436 HE21 GLN 53 1HE2 GLN 53 -8.174 -11.450 1.184 437 HE22 GLN 53 2HE2 GLN 53 -8.193 -12.871 2.166 438 H ILE 54 H ILE 54 -4.391 -11.117 -2.668 439 HA ILE 54 HA ILE 54 -3.846 -8.510 -1.977 440 HB ILE 54 HB ILE 54 -2.178 -10.235 -3.812 441 HG12 ILE 54 1HG1 ILE 54 -2.683 -11.399 -1.733 442 HG13 ILE 54 2HG1 ILE 54 -0.998 -10.890 -1.735 443 HG21 ILE 54 1HG2 ILE 54 -1.835 -7.564 -2.959 444 HG22 ILE 54 2HG2 ILE 54 -0.654 -8.548 -2.095 445 HG23 ILE 54 3HG2 ILE 54 -0.705 -8.578 -3.857 446 HD11 ILE 54 1HD1 ILE 54 -3.284 -9.637 -0.241 447 HD12 ILE 54 2HD1 ILE 54 -1.890 -10.486 0.428 448 HD13 ILE 54 3HD1 ILE 54 -1.676 -8.924 -0.362 449 H SER 55 H SER 55 -3.397 -9.720 -5.301 450 HA SER 55 HA SER 55 -3.209 -7.243 -6.529 451 HB2 SER 55 1HB SER 55 -2.710 -9.519 -7.541 452 HB3 SER 55 2HB SER 55 -4.443 -9.674 -7.833 453 HG SER 55 HG SER 55 -2.639 -8.404 -9.307 454 H ASN 56 H ASN 56 -6.084 -9.246 -5.982 455 HA ASN 56 HA ASN 56 -7.973 -7.780 -7.354 456 HB2 ASN 56 1HB ASN 56 -8.221 -9.293 -4.750 457 HB3 ASN 56 2HB ASN 56 -9.603 -8.638 -5.623 458 HD21 ASN 56 1HD2 ASN 56 -9.960 -11.102 -5.359 459 HD22 ASN 56 2HD2 ASN 56 -9.493 -12.055 -6.721 460 H TRP 57 H TRP 57 -6.865 -7.310 -4.011 461 HA TRP 57 HA TRP 57 -8.545 -5.153 -3.389 462 HB2 TRP 57 1HB TRP 57 -7.453 -6.229 -1.584 463 HB3 TRP 57 2HB TRP 57 -5.865 -6.021 -2.317 464 HD1 TRP 57 HD TRP 57 -8.510 -4.125 -0.310 465 HE1 TRP 57 1HE TRP 57 -7.447 -1.979 0.633 466 HE3 TRP 57 3HE TRP 57 -4.018 -4.306 -2.745 467 HZ2 TRP 57 2HZ TRP 57 -5.025 -0.551 0.378 468 HZ3 TRP 57 3HZ TRP 57 -2.384 -2.512 -2.340 469 HH2 TRP 57 HH TRP 57 -2.879 -0.674 -0.812 470 H PHE 58 H PHE 58 -5.317 -5.255 -4.829 471 HA PHE 58 HA PHE 58 -4.758 -2.524 -4.818 472 HB2 PHE 58 1HB PHE 58 -3.845 -4.857 -6.424 473 HB3 PHE 58 2HB PHE 58 -3.487 -3.252 -7.054 474 HD1 PHE 58 2HD PHE 58 -2.050 -1.716 -5.788 475 HD2 PHE 58 1HD PHE 58 -2.734 -5.716 -4.501 476 HE1 PHE 58 2HE PHE 58 -0.106 -1.562 -4.288 477 HE2 PHE 58 1HE PHE 58 -0.791 -5.567 -2.998 478 HZ PHE 58 HZ PHE 58 0.526 -3.489 -2.891 479 H ILE 59 H ILE 59 -6.569 -4.479 -7.134 480 HA ILE 59 HA ILE 59 -6.891 -2.721 -9.217 481 HB ILE 59 HB ILE 59 -8.972 -4.586 -8.072 482 HG12 ILE 59 1HG1 ILE 59 -7.098 -4.978 -10.413 483 HG13 ILE 59 2HG1 ILE 59 -6.791 -5.599 -8.795 484 HG21 ILE 59 1HG2 ILE 59 -9.141 -4.063 -10.913 485 HG22 ILE 59 2HG2 ILE 59 -10.393 -3.984 -9.675 486 HG23 ILE 59 3HG2 ILE 59 -9.348 -2.593 -9.962 487 HD11 ILE 59 1HD1 ILE 59 -9.327 -6.511 -9.368 488 HD12 ILE 59 2HD1 ILE 59 -8.466 -6.656 -10.901 489 HD13 ILE 59 3HD1 ILE 59 -7.831 -7.440 -9.455 490 H ASN 60 H ASN 60 -9.467 -3.152 -6.796 491 HA ASN 60 HA ASN 60 -10.707 -0.691 -7.382 492 HB2 ASN 60 1HB ASN 60 -12.039 -2.391 -6.383 493 HB3 ASN 60 2HB ASN 60 -10.926 -2.567 -5.029 494 HD21 ASN 60 1HD2 ASN 60 -13.096 -0.252 -6.583 495 HD22 ASN 60 2HD2 ASN 60 -13.567 0.550 -5.127 496 H ALA 61 H ALA 61 -8.263 -1.622 -5.045 497 HA ALA 61 HA ALA 61 -8.334 0.644 -3.398 498 HB1 ALA 61 1HB ALA 61 -6.050 0.027 -2.753 499 HB2 ALA 61 2HB ALA 61 -7.125 -1.371 -2.782 500 HB3 ALA 61 3HB ALA 61 -5.983 -1.110 -4.100 501 H ARG 62 H ARG 62 -6.799 0.071 -6.503 502 HA ARG 62 HA ARG 62 -5.234 2.466 -6.470 503 HB2 ARG 62 1HB ARG 62 -5.982 0.501 -8.626 504 HB3 ARG 62 2HB ARG 62 -5.059 1.955 -8.977 505 HG2 ARG 62 1HG ARG 62 -3.247 1.243 -7.638 506 HG3 ARG 62 2HG ARG 62 -4.198 -0.060 -6.923 507 HD2 ARG 62 1HD ARG 62 -2.840 -1.129 -8.498 508 HD3 ARG 62 2HD ARG 62 -4.403 -0.973 -9.300 509 HE ARG 62 HE ARG 62 -1.937 0.387 -9.992 510 HH11 ARG 62 2HH1 ARG 62 -5.391 0.197 -10.388 511 HH12 ARG 62 1HH1 ARG 62 -5.398 1.066 -11.887 512 HH21 ARG 62 2HH2 ARG 62 -1.934 1.532 -11.965 513 HH22 ARG 62 1HH2 ARG 62 -3.431 1.824 -12.783 514 H ARG 63 H ARG 63 -8.470 2.062 -6.586 515 HA ARG 63 HA ARG 63 -8.934 4.265 -8.472 516 HB2 ARG 63 1HB ARG 63 -10.587 2.002 -7.473 517 HB3 ARG 63 2HB ARG 63 -11.419 3.502 -7.861 518 HG2 ARG 63 1HG ARG 63 -11.510 2.151 -9.795 519 HG3 ARG 63 2HG ARG 63 -10.313 3.408 -10.116 520 HD2 ARG 63 1HD ARG 63 -8.534 1.802 -9.468 521 HD3 ARG 63 2HD ARG 63 -9.770 0.556 -9.305 522 HE ARG 63 HE ARG 63 -9.709 0.302 -11.565 523 HH11 ARG 63 2HH1 ARG 63 -8.514 3.477 -10.783 524 HH12 ARG 63 1HH1 ARG 63 -8.103 3.869 -12.420 525 HH21 ARG 63 2HH2 ARG 63 -9.172 0.806 -13.724 526 HH22 ARG 63 1HH2 ARG 63 -8.478 2.349 -14.092 527 H ARG 64 H ARG 64 -8.831 3.503 -5.145 528 HA ARG 64 HA ARG 64 -10.042 6.111 -4.506 529 HB2 ARG 64 1HB ARG 64 -10.461 3.437 -3.258 530 HB3 ARG 64 2HB ARG 64 -10.464 4.846 -2.207 531 HG2 ARG 64 1HG ARG 64 -12.282 5.826 -3.433 532 HG3 ARG 64 2HG ARG 64 -12.217 4.534 -4.633 533 HD2 ARG 64 1HD ARG 64 -13.914 3.743 -3.335 534 HD3 ARG 64 2HD ARG 64 -12.547 3.023 -2.486 535 HE ARG 64 HE ARG 64 -13.356 5.623 -1.519 536 HH11 ARG 64 2HH1 ARG 64 -13.711 2.172 -1.228 537 HH12 ARG 64 1HH1 ARG 64 -14.298 2.239 0.401 538 HH21 ARG 64 2HH2 ARG 64 -14.128 5.724 0.626 539 HH22 ARG 64 1HH2 ARG 64 -14.536 4.259 1.454 540 H ILE 65 H ILE 65 -7.720 3.627 -3.515 541 HA ILE 65 HA ILE 65 -6.455 5.307 -1.567 542 HB ILE 65 HB ILE 65 -5.432 2.755 -2.817 543 HG12 ILE 65 1HG1 ILE 65 -6.948 3.186 -0.234 544 HG13 ILE 65 2HG1 ILE 65 -7.612 2.466 -1.696 545 HG21 ILE 65 1HG2 ILE 65 -4.463 4.514 -0.629 546 HG22 ILE 65 2HG2 ILE 65 -4.281 2.771 -0.436 547 HG23 ILE 65 3HG2 ILE 65 -3.555 3.586 -1.822 548 HD11 ILE 65 1HD1 ILE 65 -6.924 0.482 -1.019 549 HD12 ILE 65 2HD1 ILE 65 -5.254 1.051 -1.021 550 HD13 ILE 65 3HD1 ILE 65 -6.239 1.210 0.434 551 H LEU 66 H LEU 66 -5.141 3.834 -4.541 552 HA LEU 66 HA LEU 66 -2.814 5.170 -4.810 553 HB2 LEU 66 1HB LEU 66 -3.321 3.577 -6.445 554 HB3 LEU 66 2HB LEU 66 -4.832 4.375 -6.879 555 HG LEU 66 HG LEU 66 -3.707 6.048 -8.111 556 HD11 LEU 66 1HD1 LEU 66 -1.328 5.142 -6.572 557 HD12 LEU 66 2HD1 LEU 66 -1.889 6.775 -6.932 558 HD13 LEU 66 3HD1 LEU 66 -1.087 5.823 -8.181 559 HD21 LEU 66 1HD2 LEU 66 -3.767 3.584 -8.972 560 HD22 LEU 66 2HD2 LEU 66 -2.016 3.685 -8.792 561 HD23 LEU 66 3HD2 LEU 66 -2.860 4.811 -9.856 562 HA PRO 67 HA PRO 67 -5.023 8.961 -6.875 563 HB2 PRO 67 1HB PRO 67 -7.700 9.165 -6.474 564 HB3 PRO 67 2HB PRO 67 -6.998 8.320 -7.859 565 HG2 PRO 67 1HG PRO 67 -8.062 7.197 -5.296 566 HG3 PRO 67 2HG PRO 67 -8.289 6.611 -6.954 567 HD2 PRO 67 1HD PRO 67 -6.502 5.502 -5.249 568 HD3 PRO 67 2HD PRO 67 -6.233 5.571 -7.003 569 H ASP 68 H ASP 68 -5.935 7.678 -3.778 570 HA ASP 68 HA ASP 68 -6.536 10.245 -2.609 571 HB2 ASP 68 1HB ASP 68 -7.717 8.406 -1.676 572 HB3 ASP 68 2HB ASP 68 -6.240 7.467 -1.473 573 H MET 69 H MET 69 -3.787 8.095 -2.842 574 HA MET 69 HA MET 69 -2.233 9.705 -0.975 575 HB2 MET 69 1HB MET 69 -0.448 8.017 -1.417 576 HB3 MET 69 2HB MET 69 -1.935 7.331 -0.776 577 HG2 MET 69 1HG MET 69 -2.580 6.590 -2.990 578 HG3 MET 69 2HG MET 69 -1.139 7.335 -3.678 579 HE1 MET 69 1HE MET 69 -0.842 5.381 -0.137 580 HE2 MET 69 2HE MET 69 -2.372 5.001 -0.928 581 HE3 MET 69 3HE MET 69 -1.122 3.764 -0.784 582 H LEU 70 H LEU 70 -2.170 8.758 -4.397 583 HA LEU 70 HA LEU 70 0.085 10.401 -5.020 584 HB2 LEU 70 1HB LEU 70 -0.221 8.548 -6.417 585 HB3 LEU 70 2HB LEU 70 -1.933 8.898 -6.650 586 HG LEU 70 HG LEU 70 -1.299 10.870 -8.012 587 HD11 LEU 70 1HD1 LEU 70 1.035 10.926 -6.868 588 HD12 LEU 70 2HD1 LEU 70 0.877 11.399 -8.559 589 HD13 LEU 70 3HD1 LEU 70 1.485 9.796 -8.146 590 HD21 LEU 70 1HD2 LEU 70 0.060 8.462 -9.159 591 HD22 LEU 70 2HD2 LEU 70 -0.968 9.652 -9.958 592 HD23 LEU 70 3HD2 LEU 70 -1.680 8.459 -8.871 593 H GLN 71 H GLN 71 -3.419 10.719 -5.403 594 HA GLN 71 HA GLN 71 -4.752 12.496 -5.898 595 HB2 GLN 71 1HB GLN 71 -2.431 13.855 -4.545 596 HB3 GLN 71 2HB GLN 71 -3.841 14.752 -5.093 597 HG2 GLN 71 1HG GLN 71 -5.230 13.179 -3.693 598 HG3 GLN 71 2HG GLN 71 -3.714 12.603 -3.001 599 HE21 GLN 71 1HE2 GLN 71 -6.129 14.237 -2.042 600 HE22 GLN 71 2HE2 GLN 71 -5.404 15.560 -1.200 601 H GLN 72 H GLN 72 -3.377 11.562 -8.074 602 HA GLN 72 HA GLN 72 -2.257 13.867 -9.463 603 HB2 GLN 72 1HB GLN 72 -1.023 11.852 -9.779 604 HB3 GLN 72 2HB GLN 72 -2.478 10.945 -10.175 605 HG2 GLN 72 1HG GLN 72 -2.704 12.446 -12.196 606 HG3 GLN 72 2HG GLN 72 -1.073 13.010 -11.838 607 HE21 GLN 72 1HE2 GLN 72 -3.004 10.464 -13.093 608 HE22 GLN 72 2HE2 GLN 72 -1.712 9.442 -13.615 609 H ARG 73 H ARG 73 -4.031 15.182 -9.825 610 HA ARG 73 HA ARG 73 -6.480 14.235 -10.921 611 HB2 ARG 73 1HB ARG 73 -6.932 16.673 -11.316 612 HB3 ARG 73 2HB ARG 73 -6.523 16.262 -9.656 613 HG2 ARG 73 1HG ARG 73 -4.523 17.356 -9.728 614 HG3 ARG 73 2HG ARG 73 -4.333 17.124 -11.467 615 HD2 ARG 73 1HD ARG 73 -4.795 19.378 -11.348 616 HD3 ARG 73 2HD ARG 73 -6.400 18.701 -11.622 617 HE ARG 73 HE ARG 73 -5.772 18.993 -8.844 618 HH11 ARG 73 2HH1 ARG 73 -6.940 20.646 -11.676 619 HH12 ARG 73 1HH1 ARG 73 -7.821 21.837 -10.777 620 HH21 ARG 73 2HH2 ARG 73 -6.928 20.555 -7.649 621 HH22 ARG 73 1HH2 ARG 73 -7.813 21.784 -8.487 622 H ARG 74 H ARG 74 -5.667 12.976 -12.714 623 HA ARG 74 HA ARG 74 -4.202 14.031 -14.856 624 HB2 ARG 74 1HB ARG 74 -4.501 11.635 -14.561 625 HB3 ARG 74 2HB ARG 74 -6.233 11.793 -14.822 626 HG2 ARG 74 1HG ARG 74 -5.442 11.004 -16.853 627 HG3 ARG 74 2HG ARG 74 -5.594 12.742 -17.120 628 HD2 ARG 74 1HD ARG 74 -3.187 12.991 -16.621 629 HD3 ARG 74 2HD ARG 74 -3.064 11.240 -16.456 630 HE ARG 74 HE ARG 74 -2.959 11.104 -18.726 631 HH11 ARG 74 2HH1 ARG 74 -4.473 14.120 -17.874 632 HH12 ARG 74 1HH1 ARG 74 -4.571 14.683 -19.509 633 HH21 ARG 74 2HH2 ARG 74 -3.083 11.834 -20.883 634 HH22 ARG 74 1HH2 ARG 74 -3.781 13.381 -21.221 635 H ASN 75 H ASN 75 -7.726 13.563 -14.558 636 HA ASN 75 HA ASN 75 -9.480 14.697 -15.467 637 HB2 ASN 75 1HB ASN 75 -8.030 16.704 -14.801 638 HB3 ASN 75 2HB ASN 75 -7.541 16.766 -16.492 639 HD21 ASN 75 1HD2 ASN 75 -10.407 16.710 -14.422 640 HD22 ASN 75 2HD2 ASN 75 -11.370 17.730 -15.430 641 H ASP 76 H ASP 76 -8.602 12.616 -16.895 642 HA ASP 76 HA ASP 76 -8.812 13.560 -19.677 643 HB2 ASP 76 1HB ASP 76 -6.523 12.609 -18.946 644 HB3 ASP 76 2HB ASP 76 -7.335 11.045 -18.937 645 HA PRO 77 HA PRO 77 -12.416 10.855 -18.877 646 HB2 PRO 77 1HB PRO 77 -14.038 12.157 -20.622 647 HB3 PRO 77 2HB PRO 77 -13.782 12.700 -18.960 648 HG2 PRO 77 1HG PRO 77 -12.520 13.684 -21.489 649 HG3 PRO 77 2HG PRO 77 -13.144 14.615 -20.115 650 HD2 PRO 77 1HD PRO 77 -10.505 14.117 -20.459 651 HD3 PRO 77 2HD PRO 77 -11.247 14.261 -18.853 652 H SER 78 H SER 78 -11.744 8.980 -19.845 653 HA SER 78 HA SER 78 -10.902 8.653 -22.478 654 HB2 SER 78 1HB SER 78 -12.160 6.734 -20.520 655 HB3 SER 78 2HB SER 78 -11.626 6.222 -22.120 656 HG SER 78 HG SER 78 -9.697 6.120 -21.324 657 H GLY 79 H GLY 79 -11.925 8.748 -24.364 658 HA2 GLY 79 1HA GLY 79 -14.510 9.532 -24.775 659 HA3 GLY 79 2HA GLY 79 -13.596 8.588 -25.942 660 HA PRO 80 HA PRO 80 -17.176 6.182 -23.789 661 HB2 PRO 80 1HB PRO 80 -19.282 6.810 -25.384 662 HB3 PRO 80 2HB PRO 80 -18.893 7.704 -23.910 663 HG2 PRO 80 1HG PRO 80 -18.267 8.382 -26.757 664 HG3 PRO 80 2HG PRO 80 -18.852 9.438 -25.459 665 HD2 PRO 80 1HD PRO 80 -16.252 9.357 -26.210 666 HD3 PRO 80 2HD PRO 80 -16.753 9.679 -24.538 667 H SER 81 H SER 81 -18.732 4.626 -25.066 668 HA SER 81 HA SER 81 -17.135 3.497 -27.256 669 HB2 SER 81 1HB SER 81 -18.326 1.381 -26.765 670 HB3 SER 81 2HB SER 81 -17.471 2.003 -25.353 671 HG SER 81 HG SER 81 -19.316 1.996 -24.373 672 H SER 82 H SER 82 -20.462 4.289 -26.339 673 HA SER 82 HA SER 82 -22.330 4.705 -27.568 674 HB2 SER 82 1HB SER 82 -20.776 6.338 -28.672 675 HB3 SER 82 2HB SER 82 -20.434 5.111 -29.892 676 HG SER 82 HG SER 82 -22.068 6.420 -30.659 677 H GLY 83 H GLY 83 -21.663 2.033 -27.237 678 HA2 GLY 83 1HA GLY 83 -22.787 0.902 -29.712 679 HA3 GLY 83 2HA GLY 83 -21.372 0.157 -28.983 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -1.174 -11.132 -12.366 2 HA2 GLY 1 1HA GLY 1 -1.994 -8.729 -13.744 3 HA3 GLY 1 2HA GLY 1 -1.423 -10.001 -14.814 4 H SER 2 H SER 2 -3.876 -9.324 -15.326 5 HA SER 2 HA SER 2 -5.859 -10.619 -13.731 6 HB2 SER 2 1HB SER 2 -7.373 -10.115 -15.642 7 HB3 SER 2 2HB SER 2 -6.467 -8.703 -15.097 8 HG SER 2 HG SER 2 -6.099 -8.616 -17.199 9 H SER 3 H SER 3 -4.491 -11.338 -16.943 10 HA SER 3 HA SER 3 -4.674 -13.236 -18.235 11 HB2 SER 3 1HB SER 3 -2.728 -13.623 -16.718 12 HB3 SER 3 2HB SER 3 -3.802 -14.490 -15.621 13 HG SER 3 HG SER 3 -2.636 -15.851 -17.113 14 H GLY 4 H GLY 4 -7.194 -12.555 -17.290 15 HA2 GLY 4 1HA GLY 4 -8.801 -14.632 -17.852 16 HA3 GLY 4 2HA GLY 4 -8.427 -14.927 -16.160 17 H SER 5 H SER 5 -9.561 -13.881 -14.631 18 HA SER 5 HA SER 5 -11.186 -12.607 -13.677 19 HB2 SER 5 1HB SER 5 -10.018 -10.765 -15.727 20 HB3 SER 5 2HB SER 5 -11.475 -10.269 -14.867 21 HG SER 5 HG SER 5 -10.351 -10.024 -13.092 22 H SER 6 H SER 6 -12.267 -14.538 -15.108 23 HA SER 6 HA SER 6 -14.140 -13.476 -17.054 24 HB2 SER 6 1HB SER 6 -12.938 -15.817 -17.053 25 HB3 SER 6 2HB SER 6 -14.280 -16.280 -16.007 26 HG SER 6 HG SER 6 -15.524 -15.129 -17.852 27 H GLY 7 H GLY 7 -14.619 -12.191 -14.748 28 HA2 GLY 7 1HA GLY 7 -16.675 -11.586 -13.752 29 HA3 GLY 7 2HA GLY 7 -17.261 -13.220 -14.025 30 H LYS 8 H LYS 8 -14.345 -11.989 -12.400 31 HA LYS 8 HA LYS 8 -15.104 -13.585 -10.049 32 HB2 LYS 8 1HB LYS 8 -12.453 -12.721 -11.164 33 HB3 LYS 8 2HB LYS 8 -12.603 -13.179 -9.473 34 HG2 LYS 8 1HG LYS 8 -13.754 -15.312 -10.497 35 HG3 LYS 8 2HG LYS 8 -12.818 -14.850 -11.920 36 HD2 LYS 8 1HD LYS 8 -11.520 -15.018 -9.224 37 HD3 LYS 8 2HD LYS 8 -11.769 -16.471 -10.195 38 HE2 LYS 8 1HE LYS 8 -10.410 -14.021 -11.283 39 HE3 LYS 8 2HE LYS 8 -9.526 -15.285 -10.430 40 HZ1 LYS 8 1HZ LYS 8 -9.392 -16.327 -12.367 41 HZ2 LYS 8 2HZ LYS 8 -10.458 -15.248 -13.114 42 HZ3 LYS 8 3HZ LYS 8 -11.061 -16.599 -12.293 43 H LYS 9 H LYS 9 -16.194 -12.328 -8.664 44 HA LYS 9 HA LYS 9 -14.881 -9.885 -7.726 45 HB2 LYS 9 1HB LYS 9 -17.083 -8.721 -7.656 46 HB3 LYS 9 2HB LYS 9 -16.517 -9.060 -9.286 47 HG2 LYS 9 1HG LYS 9 -18.032 -10.923 -9.475 48 HG3 LYS 9 2HG LYS 9 -18.531 -10.728 -7.793 49 HD2 LYS 9 1HD LYS 9 -20.236 -9.610 -8.820 50 HD3 LYS 9 2HD LYS 9 -19.094 -8.278 -8.629 51 HE2 LYS 9 1HE LYS 9 -18.919 -9.931 -11.093 52 HE3 LYS 9 2HE LYS 9 -20.267 -8.805 -10.948 53 HZ1 LYS 9 1HZ LYS 9 -17.471 -7.952 -10.498 54 HZ2 LYS 9 2HZ LYS 9 -18.824 -6.989 -10.819 55 HZ3 LYS 9 3HZ LYS 9 -18.164 -7.953 -12.042 56 H ARG 10 H ARG 10 -14.668 -9.955 -5.594 57 HA ARG 10 HA ARG 10 -16.645 -11.484 -4.033 58 HB2 ARG 10 1HB ARG 10 -13.658 -11.282 -3.642 59 HB3 ARG 10 2HB ARG 10 -14.752 -11.937 -2.431 60 HG2 ARG 10 1HG ARG 10 -14.797 -13.061 -5.189 61 HG3 ARG 10 2HG ARG 10 -13.496 -13.514 -4.086 62 HD2 ARG 10 1HD ARG 10 -15.055 -14.375 -2.492 63 HD3 ARG 10 2HD ARG 10 -16.421 -13.725 -3.399 64 HE ARG 10 HE ARG 10 -14.800 -15.620 -4.851 65 HH11 ARG 10 2HH1 ARG 10 -17.538 -15.158 -2.752 66 HH12 ARG 10 1HH1 ARG 10 -18.308 -16.640 -3.214 67 HH21 ARG 10 2HH2 ARG 10 -15.803 -17.574 -5.468 68 HH22 ARG 10 1HH2 ARG 10 -17.319 -18.014 -4.758 69 H LYS 11 H LYS 11 -17.840 -10.132 -2.876 70 HA LYS 11 HA LYS 11 -17.142 -7.461 -2.307 71 HB2 LYS 11 1HB LYS 11 -19.474 -8.375 -2.435 72 HB3 LYS 11 2HB LYS 11 -19.204 -9.147 -0.878 73 HG2 LYS 11 1HG LYS 11 -20.230 -7.252 -0.174 74 HG3 LYS 11 2HG LYS 11 -18.560 -6.679 -0.176 75 HD2 LYS 11 1HD LYS 11 -19.542 -4.981 -1.346 76 HD3 LYS 11 2HD LYS 11 -19.160 -6.069 -2.683 77 HE2 LYS 11 1HE LYS 11 -21.790 -6.266 -1.267 78 HE3 LYS 11 2HE LYS 11 -21.537 -5.041 -2.510 79 HZ1 LYS 11 1HZ LYS 11 -22.485 -6.976 -3.509 80 HZ2 LYS 11 2HZ LYS 11 -21.301 -7.981 -2.839 81 HZ3 LYS 11 3HZ LYS 11 -20.880 -6.856 -4.030 82 H GLY 12 H GLY 12 -16.363 -6.470 -0.481 83 HA2 GLY 12 1HA GLY 12 -16.071 -6.869 2.028 84 HA3 GLY 12 2HA GLY 12 -15.166 -8.284 1.513 85 H ASN 13 H ASN 13 -13.805 -6.699 3.091 86 HA ASN 13 HA ASN 13 -11.803 -5.547 1.321 87 HB2 ASN 13 1HB ASN 13 -13.543 -3.776 2.198 88 HB3 ASN 13 2HB ASN 13 -12.601 -3.889 3.682 89 HD21 ASN 13 1HD2 ASN 13 -12.020 -3.652 0.186 90 HD22 ASN 13 2HD2 ASN 13 -10.782 -2.452 0.304 91 H LEU 14 H LEU 14 -9.741 -5.229 2.356 92 HA LEU 14 HA LEU 14 -9.204 -7.249 4.325 93 HB2 LEU 14 1HB LEU 14 -7.269 -5.182 3.323 94 HB3 LEU 14 2HB LEU 14 -6.915 -6.783 3.970 95 HG LEU 14 HG LEU 14 -8.429 -6.439 1.401 96 HD11 LEU 14 1HD1 LEU 14 -5.647 -5.803 1.910 97 HD12 LEU 14 2HD1 LEU 14 -6.625 -5.531 0.468 98 HD13 LEU 14 3HD1 LEU 14 -5.831 -7.086 0.714 99 HD21 LEU 14 1HD2 LEU 14 -7.171 -8.638 2.915 100 HD22 LEU 14 2HD2 LEU 14 -6.955 -8.673 1.165 101 HD23 LEU 14 3HD2 LEU 14 -8.579 -8.647 1.853 102 HA PRO 15 HA PRO 15 -9.351 -4.824 7.985 103 HB2 PRO 15 1HB PRO 15 -7.475 -6.085 9.489 104 HB3 PRO 15 2HB PRO 15 -9.059 -6.788 9.141 105 HG2 PRO 15 1HG PRO 15 -6.421 -7.320 7.829 106 HG3 PRO 15 2HG PRO 15 -7.679 -8.470 8.319 107 HD2 PRO 15 1HD PRO 15 -7.377 -7.642 5.758 108 HD3 PRO 15 2HD PRO 15 -8.960 -8.057 6.447 109 H ALA 16 H ALA 16 -8.507 -2.925 8.587 110 HA ALA 16 HA ALA 16 -6.590 -1.504 7.398 111 HB1 ALA 16 1HB ALA 16 -6.667 -0.032 9.138 112 HB2 ALA 16 2HB ALA 16 -8.086 -1.007 9.521 113 HB3 ALA 16 3HB ALA 16 -6.563 -1.298 10.362 114 H GLU 17 H GLU 17 -5.812 -3.201 10.442 115 HA GLU 17 HA GLU 17 -3.158 -2.930 10.602 116 HB2 GLU 17 1HB GLU 17 -4.698 -4.396 12.028 117 HB3 GLU 17 2HB GLU 17 -4.362 -5.678 10.874 118 HG2 GLU 17 1HG GLU 17 -2.101 -5.772 11.457 119 HG3 GLU 17 2HG GLU 17 -2.156 -4.207 12.266 120 H SER 18 H SER 18 -4.758 -5.281 8.476 121 HA SER 18 HA SER 18 -2.312 -6.253 7.366 122 HB2 SER 18 1HB SER 18 -5.185 -6.528 6.459 123 HB3 SER 18 2HB SER 18 -3.827 -7.346 5.686 124 HG SER 18 HG SER 18 -3.522 -8.559 7.474 125 H VAL 19 H VAL 19 -4.778 -3.942 6.321 126 HA VAL 19 HA VAL 19 -3.908 -3.432 3.743 127 HB VAL 19 HB VAL 19 -5.066 -1.458 5.716 128 HG11 VAL 19 1HG1 VAL 19 -5.695 -0.127 3.798 129 HG12 VAL 19 2HG1 VAL 19 -3.949 -0.381 3.795 130 HG13 VAL 19 3HG1 VAL 19 -4.978 -1.310 2.705 131 HG21 VAL 19 1HG2 VAL 19 -6.574 -3.275 5.459 132 HG22 VAL 19 2HG2 VAL 19 -7.185 -1.963 4.451 133 HG23 VAL 19 3HG2 VAL 19 -6.331 -3.317 3.713 134 H LYS 20 H LYS 20 -2.965 -1.711 6.719 135 HA LYS 20 HA LYS 20 -1.259 0.168 5.825 136 HB2 LYS 20 1HB LYS 20 -1.628 -0.142 8.186 137 HB3 LYS 20 2HB LYS 20 -0.828 -1.708 8.154 138 HG2 LYS 20 1HG LYS 20 1.282 -0.773 7.969 139 HG3 LYS 20 2HG LYS 20 0.658 0.762 7.362 140 HD2 LYS 20 1HD LYS 20 -0.025 -0.175 10.124 141 HD3 LYS 20 2HD LYS 20 1.517 0.622 9.803 142 HE2 LYS 20 1HE LYS 20 -1.121 1.812 8.987 143 HE3 LYS 20 2HE LYS 20 -0.407 2.097 10.573 144 HZ1 LYS 20 1HZ LYS 20 0.622 3.788 9.577 145 HZ2 LYS 20 2HZ LYS 20 0.303 3.210 8.020 146 HZ3 LYS 20 3HZ LYS 20 1.636 2.626 8.882 147 H ILE 21 H ILE 21 -0.575 -3.288 5.990 148 HA ILE 21 HA ILE 21 2.158 -3.144 5.307 149 HB ILE 21 HB ILE 21 0.133 -5.354 5.006 150 HG12 ILE 21 1HG1 ILE 21 1.927 -6.277 6.755 151 HG13 ILE 21 2HG1 ILE 21 2.182 -4.554 7.015 152 HG21 ILE 21 1HG2 ILE 21 3.101 -5.522 4.498 153 HG22 ILE 21 2HG2 ILE 21 1.953 -6.860 4.456 154 HG23 ILE 21 3HG2 ILE 21 1.848 -5.570 3.257 155 HD11 ILE 21 1HD1 ILE 21 0.485 -4.625 8.432 156 HD12 ILE 21 2HD1 ILE 21 -0.575 -4.871 7.044 157 HD13 ILE 21 3HD1 ILE 21 0.053 -6.260 7.931 158 H LEU 22 H LEU 22 -0.759 -3.568 3.336 159 HA LEU 22 HA LEU 22 0.671 -3.773 0.871 160 HB2 LEU 22 1HB LEU 22 -2.226 -3.218 1.479 161 HB3 LEU 22 2HB LEU 22 -1.586 -3.438 -0.148 162 HG LEU 22 HG LEU 22 -1.644 -5.506 2.048 163 HD11 LEU 22 1HD1 LEU 22 -3.816 -5.367 1.235 164 HD12 LEU 22 2HD1 LEU 22 -3.099 -6.650 0.262 165 HD13 LEU 22 3HD1 LEU 22 -3.284 -5.031 -0.413 166 HD21 LEU 22 1HD2 LEU 22 -0.555 -5.614 -0.760 167 HD22 LEU 22 2HD2 LEU 22 -0.856 -7.034 0.243 168 HD23 LEU 22 3HD2 LEU 22 0.337 -5.836 0.746 169 H ARG 23 H ARG 23 -1.332 -1.201 2.313 170 HA ARG 23 HA ARG 23 -1.064 0.735 0.381 171 HB2 ARG 23 1HB ARG 23 -1.474 0.788 3.326 172 HB3 ARG 23 2HB ARG 23 -1.036 2.302 2.548 173 HG2 ARG 23 1HG ARG 23 -2.954 2.096 1.053 174 HG3 ARG 23 2HG ARG 23 -3.391 0.571 1.826 175 HD2 ARG 23 1HD ARG 23 -3.962 1.621 3.837 176 HD3 ARG 23 2HD ARG 23 -3.092 3.096 3.416 177 HE ARG 23 HE ARG 23 -5.037 2.916 1.524 178 HH11 ARG 23 2HH1 ARG 23 -5.017 2.899 5.005 179 HH12 ARG 23 1HH1 ARG 23 -6.584 3.625 5.148 180 HH21 ARG 23 2HH2 ARG 23 -7.101 3.873 1.698 181 HH22 ARG 23 1HH2 ARG 23 -7.768 4.177 3.266 182 H ASP 24 H ASP 24 1.028 0.384 3.251 183 HA ASP 24 HA ASP 24 2.857 2.326 2.879 184 HB2 ASP 24 1HB ASP 24 2.796 0.360 4.594 185 HB3 ASP 24 2HB ASP 24 3.873 -0.439 3.452 186 H TRP 25 H TRP 25 2.967 -0.840 1.259 187 HA TRP 25 HA TRP 25 5.253 -0.192 -0.313 188 HB2 TRP 25 1HB TRP 25 4.768 -2.507 0.151 189 HB3 TRP 25 2HB TRP 25 3.174 -2.370 -0.585 190 HD1 TRP 25 HD TRP 25 6.753 -3.133 -1.403 191 HE1 TRP 25 1HE TRP 25 6.987 -3.604 -3.922 192 HE3 TRP 25 3HE TRP 25 2.135 -1.580 -2.952 193 HZ2 TRP 25 2HZ TRP 25 5.422 -3.351 -6.258 194 HZ3 TRP 25 3HZ TRP 25 1.583 -1.727 -5.346 195 HH2 TRP 25 HH TRP 25 3.194 -2.594 -6.963 196 H MET 26 H MET 26 1.765 -0.155 -0.899 197 HA MET 26 HA MET 26 1.837 0.416 -3.642 198 HB2 MET 26 1HB MET 26 -0.225 -0.279 -2.655 199 HB3 MET 26 2HB MET 26 -0.205 1.062 -1.517 200 HG2 MET 26 1HG MET 26 -0.471 2.625 -3.405 201 HG3 MET 26 2HG MET 26 -0.587 1.245 -4.495 202 HE1 MET 26 1HE MET 26 -3.233 1.907 -5.407 203 HE2 MET 26 2HE MET 26 -2.483 0.320 -5.239 204 HE3 MET 26 3HE MET 26 -4.138 0.576 -4.685 205 H TYR 27 H TYR 27 2.459 2.396 -0.884 206 HA TYR 27 HA TYR 27 1.994 4.919 -2.128 207 HB2 TYR 27 1HB TYR 27 2.068 4.444 0.371 208 HB3 TYR 27 2HB TYR 27 3.821 4.404 0.218 209 HD1 TYR 27 2HD TYR 27 0.973 6.622 -0.772 210 HD2 TYR 27 1HD TYR 27 4.950 6.348 0.718 211 HE1 TYR 27 2HE TYR 27 1.044 9.068 -0.527 212 HE2 TYR 27 1HE TYR 27 5.031 8.793 0.968 213 HH TYR 27 HH TYR 27 3.814 10.688 0.950 214 H LYS 28 H LYS 28 4.961 3.108 -1.352 215 HA LYS 28 HA LYS 28 6.741 4.914 -2.574 216 HB2 LYS 28 1HB LYS 28 7.062 1.942 -2.114 217 HB3 LYS 28 2HB LYS 28 8.364 3.060 -2.496 218 HG2 LYS 28 1HG LYS 28 8.188 4.141 -0.414 219 HG3 LYS 28 2HG LYS 28 6.627 3.391 -0.070 220 HD2 LYS 28 1HD LYS 28 7.969 2.054 1.202 221 HD3 LYS 28 2HD LYS 28 8.058 1.173 -0.325 222 HE2 LYS 28 1HE LYS 28 10.036 3.335 0.240 223 HE3 LYS 28 2HE LYS 28 10.235 1.761 1.008 224 HZ1 LYS 28 1HZ LYS 28 10.523 0.717 -1.026 225 HZ2 LYS 28 2HZ LYS 28 11.366 2.168 -1.232 226 HZ3 LYS 28 3HZ LYS 28 9.825 1.982 -1.906 227 H HIS 29 H HIS 29 5.086 2.036 -3.794 228 HA HIS 29 HA HIS 29 6.226 2.480 -6.451 229 HB2 HIS 29 1HB HIS 29 4.427 0.233 -5.526 230 HB3 HIS 29 2HB HIS 29 5.345 0.302 -7.027 231 HD1 HIS 29 1HD HIS 29 7.960 0.037 -6.816 232 HD2 HIS 29 2HD HIS 29 5.821 -0.678 -3.326 233 HE1 HIS 29 1HE HIS 29 9.559 -1.147 -5.278 234 HE2 HIS 29 2HE HIS 29 8.217 -1.645 -3.206 235 H ARG 30 H ARG 30 3.759 3.730 -4.797 236 HA ARG 30 HA ARG 30 1.384 3.468 -6.001 237 HB2 ARG 30 1HB ARG 30 0.892 5.749 -5.507 238 HB3 ARG 30 2HB ARG 30 2.007 5.184 -4.270 239 HG2 ARG 30 1HG ARG 30 3.860 6.254 -5.520 240 HG3 ARG 30 2HG ARG 30 2.669 6.910 -6.644 241 HD2 ARG 30 1HD ARG 30 1.580 8.091 -4.799 242 HD3 ARG 30 2HD ARG 30 2.766 7.430 -3.675 243 HE ARG 30 HE ARG 30 3.119 9.652 -5.444 244 HH11 ARG 30 2HH1 ARG 30 4.756 7.069 -3.779 245 HH12 ARG 30 1HH1 ARG 30 6.285 7.883 -3.748 246 HH21 ARG 30 2HH2 ARG 30 5.127 10.733 -5.410 247 HH22 ARG 30 1HH2 ARG 30 6.495 9.967 -4.675 248 H PHE 31 H PHE 31 4.182 5.077 -7.421 249 HA PHE 31 HA PHE 31 3.296 6.389 -9.567 250 HB2 PHE 31 1HB PHE 31 5.502 4.320 -9.613 251 HB3 PHE 31 2HB PHE 31 5.259 5.555 -10.844 252 HD1 PHE 31 1HD PHE 31 4.608 7.901 -9.200 253 HD2 PHE 31 2HD PHE 31 7.529 4.858 -8.631 254 HE1 PHE 31 1HE PHE 31 5.984 9.471 -7.897 255 HE2 PHE 31 2HE PHE 31 8.910 6.423 -7.327 256 HZ PHE 31 HZ PHE 31 8.137 8.732 -6.958 257 H LYS 32 H LYS 32 3.424 2.856 -9.347 258 HA LYS 32 HA LYS 32 1.690 2.725 -11.728 259 HB2 LYS 32 1HB LYS 32 2.736 0.776 -12.438 260 HB3 LYS 32 2HB LYS 32 4.082 1.712 -11.802 261 HG2 LYS 32 1HG LYS 32 3.429 0.379 -9.588 262 HG3 LYS 32 2HG LYS 32 2.851 -0.778 -10.791 263 HD2 LYS 32 1HD LYS 32 5.101 -1.362 -10.305 264 HD3 LYS 32 2HD LYS 32 5.110 -0.590 -11.892 265 HE2 LYS 32 1HE LYS 32 5.850 1.498 -10.893 266 HE3 LYS 32 2HE LYS 32 5.775 0.778 -9.286 267 HZ1 LYS 32 1HZ LYS 32 7.863 0.658 -11.205 268 HZ2 LYS 32 2HZ LYS 32 7.366 -0.901 -10.779 269 HZ3 LYS 32 3HZ LYS 32 7.875 0.181 -9.582 270 H ALA 33 H ALA 33 2.129 1.869 -8.420 271 HA ALA 33 HA ALA 33 0.868 0.705 -6.915 272 HB1 ALA 33 1HB ALA 33 -0.640 2.588 -7.560 273 HB2 ALA 33 2HB ALA 33 -1.429 1.495 -8.697 274 HB3 ALA 33 3HB ALA 33 -1.478 1.153 -6.968 275 H TYR 34 H TYR 34 1.945 -0.823 -9.144 276 HA TYR 34 HA TYR 34 0.065 -3.076 -9.043 277 HB2 TYR 34 1HB TYR 34 1.299 -1.827 -11.464 278 HB3 TYR 34 2HB TYR 34 1.023 -3.565 -11.450 279 HD1 TYR 34 1HD TYR 34 -1.415 -4.275 -10.687 280 HD2 TYR 34 2HD TYR 34 -0.382 -0.458 -12.258 281 HE1 TYR 34 1HE TYR 34 -3.761 -3.911 -11.329 282 HE2 TYR 34 2HE TYR 34 -2.726 -0.083 -12.903 283 HH TYR 34 HH TYR 34 -5.036 -0.995 -12.058 284 HA PRO 35 HA PRO 35 4.103 -4.557 -7.544 285 HB2 PRO 35 1HB PRO 35 3.036 -6.529 -6.012 286 HB3 PRO 35 2HB PRO 35 3.159 -4.851 -5.470 287 HG2 PRO 35 1HG PRO 35 0.803 -6.308 -6.605 288 HG3 PRO 35 2HG PRO 35 0.870 -5.189 -5.231 289 HD2 PRO 35 1HD PRO 35 0.009 -4.434 -7.684 290 HD3 PRO 35 2HD PRO 35 0.857 -3.325 -6.587 291 H SER 36 H SER 36 5.019 -6.818 -7.534 292 HA SER 36 HA SER 36 4.031 -8.268 -9.896 293 HB2 SER 36 1HB SER 36 6.288 -9.057 -10.234 294 HB3 SER 36 2HB SER 36 6.344 -7.308 -10.012 295 HG SER 36 HG SER 36 7.917 -8.124 -8.716 296 H GLU 37 H GLU 37 4.086 -10.577 -9.890 297 HA GLU 37 HA GLU 37 2.826 -11.888 -7.928 298 HB2 GLU 37 1HB GLU 37 3.741 -12.755 -10.202 299 HB3 GLU 37 2HB GLU 37 5.123 -13.290 -9.258 300 HG2 GLU 37 1HG GLU 37 3.745 -14.714 -7.922 301 HG3 GLU 37 2HG GLU 37 2.281 -14.066 -8.659 302 H GLU 38 H GLU 38 6.214 -11.030 -7.906 303 HA GLU 38 HA GLU 38 6.900 -12.630 -5.636 304 HB2 GLU 38 1HB GLU 38 8.252 -10.455 -7.186 305 HB3 GLU 38 2HB GLU 38 8.903 -10.937 -5.626 306 HG2 GLU 38 1HG GLU 38 10.104 -12.257 -7.064 307 HG3 GLU 38 2HG GLU 38 8.786 -13.335 -6.608 308 H GLU 39 H GLU 39 6.362 -9.140 -6.104 309 HA GLU 39 HA GLU 39 6.706 -8.319 -3.479 310 HB2 GLU 39 1HB GLU 39 4.867 -7.233 -5.614 311 HB3 GLU 39 2HB GLU 39 5.179 -6.418 -4.089 312 HG2 GLU 39 1HG GLU 39 7.152 -7.015 -6.276 313 HG3 GLU 39 2HG GLU 39 6.557 -5.436 -5.765 314 H LYS 40 H LYS 40 3.649 -9.185 -5.094 315 HA LYS 40 HA LYS 40 1.936 -8.891 -2.946 316 HB2 LYS 40 1HB LYS 40 1.497 -11.222 -4.744 317 HB3 LYS 40 2HB LYS 40 0.365 -9.986 -4.213 318 HG2 LYS 40 1HG LYS 40 1.755 -8.401 -5.704 319 HG3 LYS 40 2HG LYS 40 2.357 -9.889 -6.439 320 HD2 LYS 40 1HD LYS 40 -0.033 -10.561 -6.804 321 HD3 LYS 40 2HD LYS 40 -0.502 -8.943 -6.276 322 HE2 LYS 40 1HE LYS 40 0.631 -7.931 -8.105 323 HE3 LYS 40 2HE LYS 40 1.419 -9.447 -8.539 324 HZ1 LYS 40 1HZ LYS 40 -1.446 -9.627 -8.510 325 HZ2 LYS 40 2HZ LYS 40 -0.346 -10.102 -9.704 326 HZ3 LYS 40 3HZ LYS 40 -0.871 -8.496 -9.629 327 H GLN 41 H GLN 41 3.270 -12.018 -4.037 328 HA GLN 41 HA GLN 41 2.492 -13.640 -2.016 329 HB2 GLN 41 1HB GLN 41 3.963 -14.170 -4.055 330 HB3 GLN 41 2HB GLN 41 5.325 -13.752 -3.025 331 HG2 GLN 41 1HG GLN 41 3.421 -16.042 -2.794 332 HG3 GLN 41 2HG GLN 41 5.184 -16.054 -2.836 333 HE21 GLN 41 1HE2 GLN 41 2.387 -15.866 -0.884 334 HE22 GLN 41 2HE2 GLN 41 3.182 -15.761 0.646 335 H MET 42 H MET 42 5.219 -11.392 -1.930 336 HA MET 42 HA MET 42 6.230 -12.158 0.583 337 HB2 MET 42 1HB MET 42 7.710 -10.856 -0.633 338 HB3 MET 42 2HB MET 42 6.465 -9.717 -1.128 339 HG2 MET 42 1HG MET 42 6.376 -8.907 1.229 340 HG3 MET 42 2HG MET 42 7.766 -9.934 1.572 341 HE1 MET 42 1HE MET 42 6.337 -6.858 -0.110 342 HE2 MET 42 2HE MET 42 7.696 -6.097 -0.938 343 HE3 MET 42 3HE MET 42 6.950 -7.547 -1.614 344 H LEU 43 H LEU 43 4.038 -9.497 -0.314 345 HA LEU 43 HA LEU 43 3.600 -8.545 2.286 346 HB2 LEU 43 1HB LEU 43 1.658 -8.463 -0.016 347 HB3 LEU 43 2HB LEU 43 1.688 -7.392 1.383 348 HG LEU 43 HG LEU 43 3.998 -7.501 -0.527 349 HD11 LEU 43 1HD1 LEU 43 1.624 -5.668 -0.793 350 HD12 LEU 43 2HD1 LEU 43 1.886 -7.097 -1.793 351 HD13 LEU 43 3HD1 LEU 43 3.037 -5.762 -1.845 352 HD21 LEU 43 1HD2 LEU 43 2.929 -5.492 1.444 353 HD22 LEU 43 2HD2 LEU 43 4.186 -5.120 0.263 354 HD23 LEU 43 3HD2 LEU 43 4.469 -6.351 1.496 355 H SER 44 H SER 44 1.764 -10.880 0.338 356 HA SER 44 HA SER 44 -0.385 -11.367 1.953 357 HB2 SER 44 1HB SER 44 -0.706 -13.311 0.756 358 HB3 SER 44 2HB SER 44 0.438 -12.488 -0.304 359 HG SER 44 HG SER 44 0.838 -14.670 1.407 360 H GLU 45 H GLU 45 2.931 -12.332 2.463 361 HA GLU 45 HA GLU 45 2.448 -14.243 4.501 362 HB2 GLU 45 1HB GLU 45 4.900 -12.581 3.898 363 HB3 GLU 45 2HB GLU 45 4.857 -13.908 5.050 364 HG2 GLU 45 1HG GLU 45 3.939 -15.229 2.959 365 HG3 GLU 45 2HG GLU 45 4.801 -13.964 2.086 366 H LYS 46 H LYS 46 3.016 -10.766 4.516 367 HA LYS 46 HA LYS 46 3.053 -10.617 7.399 368 HB2 LYS 46 1HB LYS 46 3.084 -8.535 5.217 369 HB3 LYS 46 2HB LYS 46 3.016 -8.113 6.923 370 HG2 LYS 46 1HG LYS 46 5.268 -7.973 6.462 371 HG3 LYS 46 2HG LYS 46 5.122 -9.601 7.128 372 HD2 LYS 46 1HD LYS 46 4.981 -10.481 4.811 373 HD3 LYS 46 2HD LYS 46 5.268 -8.846 4.210 374 HE2 LYS 46 1HE LYS 46 7.386 -9.789 4.168 375 HE3 LYS 46 2HE LYS 46 7.377 -8.920 5.702 376 HZ1 LYS 46 1HZ LYS 46 6.975 -11.833 5.302 377 HZ2 LYS 46 2HZ LYS 46 6.767 -11.045 6.784 378 HZ3 LYS 46 3HZ LYS 46 8.292 -11.080 6.052 379 H THR 47 H THR 47 0.769 -10.028 4.796 380 HA THR 47 HA THR 47 -1.240 -8.996 6.624 381 HB THR 47 HB THR 47 -2.675 -8.820 4.618 382 HG1 THR 47 1HG THR 47 -0.390 -9.748 3.189 383 HG21 THR 47 1HG2 THR 47 0.060 -7.677 4.065 384 HG22 THR 47 2HG2 THR 47 -1.037 -7.027 5.283 385 HG23 THR 47 3HG2 THR 47 -1.502 -7.019 3.582 386 H ASN 48 H ASN 48 -0.230 -12.009 5.432 387 HA ASN 48 HA ASN 48 -1.034 -14.124 5.658 388 HB2 ASN 48 1HB ASN 48 -2.875 -12.746 7.622 389 HB3 ASN 48 2HB ASN 48 -2.801 -14.493 7.409 390 HD21 ASN 48 1HD2 ASN 48 -2.105 -12.581 9.646 391 HD22 ASN 48 2HD2 ASN 48 -0.517 -13.061 10.129 392 H LEU 49 H LEU 49 -1.997 -12.519 3.520 393 HA LEU 49 HA LEU 49 -4.751 -13.515 3.209 394 HB2 LEU 49 1HB LEU 49 -3.401 -11.320 1.648 395 HB3 LEU 49 2HB LEU 49 -5.100 -11.783 1.576 396 HG LEU 49 HG LEU 49 -3.824 -10.689 4.072 397 HD11 LEU 49 1HD1 LEU 49 -4.862 -9.277 1.667 398 HD12 LEU 49 2HD1 LEU 49 -3.520 -8.861 2.732 399 HD13 LEU 49 3HD1 LEU 49 -5.180 -8.591 3.261 400 HD21 LEU 49 1HD2 LEU 49 -5.996 -10.422 4.865 401 HD22 LEU 49 2HD2 LEU 49 -6.046 -11.986 4.050 402 HD23 LEU 49 3HD2 LEU 49 -6.705 -10.555 3.255 403 H SER 50 H SER 50 -5.200 -13.649 0.651 404 HA SER 50 HA SER 50 -3.206 -15.561 -0.345 405 HB2 SER 50 1HB SER 50 -6.167 -15.284 -0.707 406 HB3 SER 50 2HB SER 50 -5.220 -16.107 -1.946 407 HG SER 50 HG SER 50 -6.106 -17.426 -0.156 408 H LEU 51 H LEU 51 -2.175 -15.266 -2.244 409 HA LEU 51 HA LEU 51 -1.645 -12.877 -3.352 410 HB2 LEU 51 1HB LEU 51 -1.911 -15.514 -4.781 411 HB3 LEU 51 2HB LEU 51 -1.191 -14.079 -5.507 412 HG LEU 51 HG LEU 51 -0.142 -15.473 -3.045 413 HD11 LEU 51 1HD1 LEU 51 1.208 -16.741 -4.321 414 HD12 LEU 51 2HD1 LEU 51 1.401 -15.492 -5.550 415 HD13 LEU 51 3HD1 LEU 51 -0.047 -16.499 -5.537 416 HD21 LEU 51 1HD2 LEU 51 1.914 -14.054 -3.888 417 HD22 LEU 51 2HD2 LEU 51 0.687 -13.354 -2.831 418 HD23 LEU 51 3HD2 LEU 51 0.640 -13.040 -4.566 419 H LEU 52 H LEU 52 -4.489 -14.825 -3.991 420 HA LEU 52 HA LEU 52 -5.447 -13.382 -6.220 421 HB2 LEU 52 1HB LEU 52 -6.390 -15.492 -5.886 422 HB3 LEU 52 2HB LEU 52 -6.730 -15.170 -4.187 423 HG LEU 52 HG LEU 52 -8.492 -13.563 -4.916 424 HD11 LEU 52 1HD1 LEU 52 -7.748 -14.642 -7.622 425 HD12 LEU 52 2HD1 LEU 52 -7.796 -12.960 -7.095 426 HD13 LEU 52 3HD1 LEU 52 -9.296 -13.867 -7.284 427 HD21 LEU 52 1HD2 LEU 52 -9.134 -16.184 -6.174 428 HD22 LEU 52 2HD2 LEU 52 -10.087 -15.200 -5.063 429 HD23 LEU 52 3HD2 LEU 52 -8.724 -16.142 -4.459 430 H GLN 53 H GLN 53 -6.156 -13.119 -2.749 431 HA GLN 53 HA GLN 53 -7.997 -10.984 -3.008 432 HB2 GLN 53 1HB GLN 53 -6.439 -12.152 -0.730 433 HB3 GLN 53 2HB GLN 53 -7.324 -10.650 -0.505 434 HG2 GLN 53 1HG GLN 53 -9.328 -11.959 -1.470 435 HG3 GLN 53 2HG GLN 53 -8.371 -13.387 -1.083 436 HE21 GLN 53 1HE2 GLN 53 -7.197 -12.752 1.248 437 HE22 GLN 53 2HE2 GLN 53 -8.381 -12.485 2.478 438 H ILE 54 H ILE 54 -4.519 -11.113 -2.395 439 HA ILE 54 HA ILE 54 -3.982 -8.502 -1.738 440 HB ILE 54 HB ILE 54 -2.326 -10.249 -3.563 441 HG12 ILE 54 1HG1 ILE 54 -2.862 -11.296 -1.384 442 HG13 ILE 54 2HG1 ILE 54 -1.148 -10.928 -1.542 443 HG21 ILE 54 1HG2 ILE 54 -0.686 -8.598 -2.012 444 HG22 ILE 54 2HG2 ILE 54 -0.979 -8.494 -3.747 445 HG23 ILE 54 3HG2 ILE 54 -1.967 -7.555 -2.628 446 HD11 ILE 54 1HD1 ILE 54 -1.811 -10.350 0.657 447 HD12 ILE 54 2HD1 ILE 54 -1.571 -8.843 -0.228 448 HD13 ILE 54 3HD1 ILE 54 -3.203 -9.443 0.067 449 H SER 55 H SER 55 -3.549 -9.728 -5.058 450 HA SER 55 HA SER 55 -3.349 -7.290 -6.326 451 HB2 SER 55 1HB SER 55 -2.945 -9.553 -7.352 452 HB3 SER 55 2HB SER 55 -4.693 -9.724 -7.519 453 HG SER 55 HG SER 55 -4.511 -7.616 -8.684 454 H ASN 56 H ASN 56 -6.296 -9.218 -5.820 455 HA ASN 56 HA ASN 56 -8.170 -7.717 -7.096 456 HB2 ASN 56 1HB ASN 56 -8.285 -9.223 -4.498 457 HB3 ASN 56 2HB ASN 56 -9.702 -8.365 -5.098 458 HD21 ASN 56 1HD2 ASN 56 -10.073 -10.923 -4.799 459 HD22 ASN 56 2HD2 ASN 56 -10.034 -11.778 -6.300 460 H TRP 57 H TRP 57 -6.760 -7.060 -3.920 461 HA TRP 57 HA TRP 57 -8.383 -4.803 -3.348 462 HB2 TRP 57 1HB TRP 57 -7.296 -5.923 -1.528 463 HB3 TRP 57 2HB TRP 57 -5.711 -5.701 -2.262 464 HD1 TRP 57 HD TRP 57 -8.403 -3.797 -0.318 465 HE1 TRP 57 1HE TRP 57 -7.371 -1.627 0.604 466 HE3 TRP 57 3HE TRP 57 -3.870 -3.991 -2.674 467 HZ2 TRP 57 2HZ TRP 57 -4.955 -0.188 0.364 468 HZ3 TRP 57 3HZ TRP 57 -2.255 -2.178 -2.274 469 HH2 TRP 57 HH TRP 57 -2.788 -0.316 -0.787 470 H PHE 58 H PHE 58 -5.226 -5.211 -4.871 471 HA PHE 58 HA PHE 58 -4.539 -2.483 -5.014 472 HB2 PHE 58 1HB PHE 58 -3.645 -4.976 -6.379 473 HB3 PHE 58 2HB PHE 58 -3.203 -3.439 -7.115 474 HD1 PHE 58 2HD PHE 58 -1.913 -1.769 -5.744 475 HD2 PHE 58 1HD PHE 58 -2.499 -5.801 -4.513 476 HE1 PHE 58 2HE PHE 58 -0.029 -1.560 -4.176 477 HE2 PHE 58 1HE PHE 58 -0.616 -5.598 -2.942 478 HZ PHE 58 HZ PHE 58 0.623 -3.476 -2.773 479 H ILE 59 H ILE 59 -6.573 -4.510 -6.993 480 HA ILE 59 HA ILE 59 -6.697 -2.927 -9.305 481 HB ILE 59 HB ILE 59 -8.832 -4.710 -8.128 482 HG12 ILE 59 1HG1 ILE 59 -6.861 -5.309 -10.338 483 HG13 ILE 59 2HG1 ILE 59 -6.594 -5.756 -8.657 484 HG21 ILE 59 1HG2 ILE 59 -9.658 -4.804 -10.486 485 HG22 ILE 59 2HG2 ILE 59 -9.858 -3.239 -9.700 486 HG23 ILE 59 3HG2 ILE 59 -8.555 -3.481 -10.863 487 HD11 ILE 59 1HD1 ILE 59 -9.059 -6.796 -9.098 488 HD12 ILE 59 2HD1 ILE 59 -8.309 -6.978 -10.684 489 HD13 ILE 59 3HD1 ILE 59 -7.544 -7.683 -9.259 490 H ASN 60 H ASN 60 -9.158 -3.147 -6.727 491 HA ASN 60 HA ASN 60 -10.473 -0.766 -7.573 492 HB2 ASN 60 1HB ASN 60 -10.799 -1.912 -4.820 493 HB3 ASN 60 2HB ASN 60 -12.008 -1.175 -5.867 494 HD21 ASN 60 1HD2 ASN 60 -13.306 -2.475 -6.953 495 HD22 ASN 60 2HD2 ASN 60 -13.063 -4.168 -7.201 496 H ALA 61 H ALA 61 -7.949 -1.496 -5.286 497 HA ALA 61 HA ALA 61 -8.076 0.895 -3.775 498 HB1 ALA 61 1HB ALA 61 -5.798 -1.018 -4.260 499 HB2 ALA 61 2HB ALA 61 -5.755 0.309 -3.098 500 HB3 ALA 61 3HB ALA 61 -6.912 -1.006 -2.893 501 H ARG 62 H ARG 62 -6.002 -0.070 -6.507 502 HA ARG 62 HA ARG 62 -4.659 2.408 -6.713 503 HB2 ARG 62 1HB ARG 62 -3.586 0.575 -7.723 504 HB3 ARG 62 2HB ARG 62 -5.037 0.090 -8.589 505 HG2 ARG 62 1HG ARG 62 -3.817 2.736 -9.196 506 HG3 ARG 62 2HG ARG 62 -3.060 1.272 -9.827 507 HD2 ARG 62 1HD ARG 62 -4.808 0.802 -11.217 508 HD3 ARG 62 2HD ARG 62 -5.995 1.562 -10.157 509 HE ARG 62 HE ARG 62 -5.727 3.489 -11.343 510 HH11 ARG 62 2HH1 ARG 62 -2.926 1.483 -11.844 511 HH12 ARG 62 1HH1 ARG 62 -2.216 2.543 -13.017 512 HH21 ARG 62 2HH2 ARG 62 -4.802 4.892 -12.885 513 HH22 ARG 62 1HH2 ARG 62 -3.283 4.482 -13.607 514 H ARG 63 H ARG 63 -7.839 1.776 -7.181 515 HA ARG 63 HA ARG 63 -8.142 3.693 -9.386 516 HB2 ARG 63 1HB ARG 63 -9.964 1.598 -8.227 517 HB3 ARG 63 2HB ARG 63 -10.586 2.887 -9.249 518 HG2 ARG 63 1HG ARG 63 -9.164 2.168 -11.073 519 HG3 ARG 63 2HG ARG 63 -8.451 0.920 -10.048 520 HD2 ARG 63 1HD ARG 63 -10.158 -0.005 -11.538 521 HD3 ARG 63 2HD ARG 63 -10.617 -0.171 -9.844 522 HE ARG 63 HE ARG 63 -11.827 2.122 -10.534 523 HH11 ARG 63 2HH1 ARG 63 -11.732 -1.013 -12.045 524 HH12 ARG 63 1HH1 ARG 63 -13.307 -0.865 -12.751 525 HH21 ARG 63 2HH2 ARG 63 -13.902 2.329 -11.458 526 HH22 ARG 63 1HH2 ARG 63 -14.540 1.036 -12.418 527 H ARG 64 H ARG 64 -8.756 3.196 -6.003 528 HA ARG 64 HA ARG 64 -9.945 5.888 -5.865 529 HB2 ARG 64 1HB ARG 64 -11.408 3.748 -5.335 530 HB3 ARG 64 2HB ARG 64 -10.586 3.846 -3.783 531 HG2 ARG 64 1HG ARG 64 -11.442 6.057 -3.406 532 HG3 ARG 64 2HG ARG 64 -12.137 6.106 -5.027 533 HD2 ARG 64 1HD ARG 64 -13.732 4.437 -4.489 534 HD3 ARG 64 2HD ARG 64 -12.910 4.041 -2.981 535 HE ARG 64 HE ARG 64 -13.803 6.759 -3.077 536 HH11 ARG 64 2HH1 ARG 64 -14.775 3.481 -2.422 537 HH12 ARG 64 1HH1 ARG 64 -16.068 3.938 -1.364 538 HH21 ARG 64 2HH2 ARG 64 -15.503 7.373 -1.686 539 HH22 ARG 64 1HH2 ARG 64 -16.482 6.152 -0.947 540 H ILE 65 H ILE 65 -8.063 3.417 -4.164 541 HA ILE 65 HA ILE 65 -7.260 5.103 -2.024 542 HB ILE 65 HB ILE 65 -6.018 2.562 -3.083 543 HG12 ILE 65 1HG1 ILE 65 -7.927 3.150 -0.815 544 HG13 ILE 65 2HG1 ILE 65 -8.227 2.155 -2.236 545 HG21 ILE 65 1HG2 ILE 65 -4.942 4.461 -1.281 546 HG22 ILE 65 2HG2 ILE 65 -5.400 3.037 -0.348 547 HG23 ILE 65 3HG2 ILE 65 -4.300 2.878 -1.717 548 HD11 ILE 65 1HD1 ILE 65 -7.343 1.321 0.272 549 HD12 ILE 65 2HD1 ILE 65 -7.461 0.359 -1.202 550 HD13 ILE 65 3HD1 ILE 65 -5.949 1.172 -0.797 551 H LEU 66 H LEU 66 -5.573 4.007 -4.964 552 HA LEU 66 HA LEU 66 -3.155 5.263 -4.628 553 HB2 LEU 66 1HB LEU 66 -3.318 3.869 -6.477 554 HB3 LEU 66 2HB LEU 66 -4.794 4.642 -7.051 555 HG LEU 66 HG LEU 66 -3.580 6.504 -7.907 556 HD11 LEU 66 1HD1 LEU 66 -1.925 7.073 -6.430 557 HD12 LEU 66 2HD1 LEU 66 -0.972 6.312 -7.704 558 HD13 LEU 66 3HD1 LEU 66 -1.368 5.410 -6.241 559 HD21 LEU 66 1HD2 LEU 66 -1.932 5.341 -9.430 560 HD22 LEU 66 2HD2 LEU 66 -3.575 4.700 -9.434 561 HD23 LEU 66 3HD2 LEU 66 -2.301 3.858 -8.550 562 HA PRO 67 HA PRO 67 -4.962 9.268 -6.667 563 HB2 PRO 67 1HB PRO 67 -7.667 9.458 -6.793 564 HB3 PRO 67 2HB PRO 67 -6.692 8.753 -8.087 565 HG2 PRO 67 1HG PRO 67 -8.238 7.384 -5.919 566 HG3 PRO 67 2HG PRO 67 -8.122 6.974 -7.641 567 HD2 PRO 67 1HD PRO 67 -6.702 5.676 -5.734 568 HD3 PRO 67 2HD PRO 67 -6.087 5.922 -7.382 569 H ASP 68 H ASP 68 -5.905 7.716 -3.841 570 HA ASP 68 HA ASP 68 -6.924 10.158 -2.587 571 HB2 ASP 68 1HB ASP 68 -8.141 7.996 -2.262 572 HB3 ASP 68 2HB ASP 68 -6.727 7.379 -1.411 573 H MET 69 H MET 69 -4.526 7.607 -1.900 574 HA MET 69 HA MET 69 -3.245 9.033 0.178 575 HB2 MET 69 1HB MET 69 -1.632 7.311 0.180 576 HB3 MET 69 2HB MET 69 -3.135 6.532 -0.294 577 HG2 MET 69 1HG MET 69 -2.193 7.127 -2.717 578 HG3 MET 69 2HG MET 69 -0.667 7.004 -1.844 579 HE1 MET 69 1HE MET 69 -0.804 3.698 -0.169 580 HE2 MET 69 2HE MET 69 -1.305 5.315 0.324 581 HE3 MET 69 3HE MET 69 -2.509 4.041 0.125 582 H LEU 70 H LEU 70 -2.718 8.855 -3.294 583 HA LEU 70 HA LEU 70 -0.216 10.146 -3.369 584 HB2 LEU 70 1HB LEU 70 -1.560 8.867 -5.204 585 HB3 LEU 70 2HB LEU 70 -2.228 10.459 -5.556 586 HG LEU 70 HG LEU 70 0.733 10.162 -5.457 587 HD11 LEU 70 1HD1 LEU 70 0.566 8.411 -6.882 588 HD12 LEU 70 2HD1 LEU 70 0.337 9.707 -8.056 589 HD13 LEU 70 3HD1 LEU 70 -1.060 8.847 -7.409 590 HD21 LEU 70 1HD2 LEU 70 0.607 11.857 -7.205 591 HD22 LEU 70 2HD2 LEU 70 -0.301 12.354 -5.777 592 HD23 LEU 70 3HD2 LEU 70 -1.153 11.748 -7.198 593 H GLN 71 H GLN 71 -3.518 11.411 -3.728 594 HA GLN 71 HA GLN 71 -3.132 14.009 -4.334 595 HB2 GLN 71 1HB GLN 71 -5.066 12.633 -2.543 596 HB3 GLN 71 2HB GLN 71 -5.008 14.389 -2.469 597 HG2 GLN 71 1HG GLN 71 -5.552 12.708 -4.904 598 HG3 GLN 71 2HG GLN 71 -6.714 13.689 -4.012 599 HE21 GLN 71 1HE2 GLN 71 -6.462 14.061 -6.673 600 HE22 GLN 71 2HE2 GLN 71 -5.688 15.570 -7.002 601 H GLN 72 H GLN 72 -2.534 15.903 -3.333 602 HA GLN 72 HA GLN 72 -0.557 15.758 -1.342 603 HB2 GLN 72 1HB GLN 72 -0.793 17.572 -3.056 604 HB3 GLN 72 2HB GLN 72 -2.147 18.203 -2.129 605 HG2 GLN 72 1HG GLN 72 -0.820 18.999 -0.459 606 HG3 GLN 72 2HG GLN 72 0.430 17.784 -0.721 607 HE21 GLN 72 1HE2 GLN 72 0.344 20.825 -0.575 608 HE22 GLN 72 2HE2 GLN 72 1.249 21.327 -1.958 609 H ARG 73 H ARG 73 -0.889 15.227 0.710 610 HA ARG 73 HA ARG 73 -3.147 16.473 2.125 611 HB2 ARG 73 1HB ARG 73 -2.354 13.594 2.019 612 HB3 ARG 73 2HB ARG 73 -3.023 14.230 3.516 613 HG2 ARG 73 1HG ARG 73 -4.430 14.634 0.905 614 HG3 ARG 73 2HG ARG 73 -4.612 13.139 1.825 615 HD2 ARG 73 1HD ARG 73 -5.612 14.234 3.631 616 HD3 ARG 73 2HD ARG 73 -5.027 15.814 3.112 617 HE ARG 73 HE ARG 73 -6.814 14.635 1.219 618 HH11 ARG 73 2HH1 ARG 73 -6.644 16.423 4.201 619 HH12 ARG 73 1HH1 ARG 73 -8.207 17.145 4.009 620 HH21 ARG 73 2HH2 ARG 73 -8.874 15.578 0.955 621 HH22 ARG 73 1HH2 ARG 73 -9.475 16.663 2.163 622 H ARG 74 H ARG 74 -0.121 14.652 2.617 623 HA ARG 74 HA ARG 74 0.507 16.494 4.830 624 HB2 ARG 74 1HB ARG 74 -0.062 14.008 5.374 625 HB3 ARG 74 2HB ARG 74 1.549 13.683 4.748 626 HG2 ARG 74 1HG ARG 74 1.101 15.726 6.891 627 HG3 ARG 74 2HG ARG 74 1.267 14.010 7.270 628 HD2 ARG 74 1HD ARG 74 3.406 14.190 5.780 629 HD3 ARG 74 2HD ARG 74 3.274 15.911 6.141 630 HE ARG 74 HE ARG 74 4.117 13.837 7.922 631 HH11 ARG 74 2HH1 ARG 74 2.601 16.965 7.736 632 HH12 ARG 74 1HH1 ARG 74 3.050 17.424 9.345 633 HH21 ARG 74 2HH2 ARG 74 4.716 14.429 10.042 634 HH22 ARG 74 1HH2 ARG 74 4.254 15.981 10.656 635 H ASN 75 H ASN 75 2.318 17.620 4.578 636 HA ASN 75 HA ASN 75 3.869 17.659 2.316 637 HB2 ASN 75 1HB ASN 75 5.000 18.306 5.036 638 HB3 ASN 75 2HB ASN 75 5.392 19.052 3.489 639 HD21 ASN 75 1HD2 ASN 75 4.296 20.799 2.862 640 HD22 ASN 75 2HD2 ASN 75 2.932 21.463 3.689 641 H ASP 76 H ASP 76 5.334 16.351 1.454 642 HA ASP 76 HA ASP 76 6.596 14.330 3.188 643 HB2 ASP 76 1HB ASP 76 5.054 13.461 1.413 644 HB3 ASP 76 2HB ASP 76 6.139 14.144 0.205 645 HA PRO 77 HA PRO 77 10.084 17.014 1.952 646 HB2 PRO 77 1HB PRO 77 11.546 16.482 4.177 647 HB3 PRO 77 2HB PRO 77 10.275 17.710 4.134 648 HG2 PRO 77 1HG PRO 77 10.166 14.905 5.175 649 HG3 PRO 77 2HG PRO 77 9.504 16.389 5.886 650 HD2 PRO 77 1HD PRO 77 7.974 14.619 4.523 651 HD3 PRO 77 2HD PRO 77 7.646 16.364 4.522 652 H SER 78 H SER 78 12.492 16.461 1.927 653 HA SER 78 HA SER 78 12.769 13.802 0.787 654 HB2 SER 78 1HB SER 78 13.674 15.884 -0.328 655 HB3 SER 78 2HB SER 78 14.876 15.963 0.960 656 HG SER 78 HG SER 78 15.487 13.797 0.311 657 H GLY 79 H GLY 79 14.335 12.284 1.431 658 HA2 GLY 79 1HA GLY 79 15.349 12.689 4.178 659 HA3 GLY 79 2HA GLY 79 14.715 11.151 3.611 660 HA PRO 80 HA PRO 80 19.405 11.643 2.900 661 HB2 PRO 80 1HB PRO 80 20.295 10.112 4.958 662 HB3 PRO 80 2HB PRO 80 20.053 11.858 5.094 663 HG2 PRO 80 1HG PRO 80 18.267 9.624 5.977 664 HG3 PRO 80 2HG PRO 80 18.686 11.124 6.826 665 HD2 PRO 80 1HD PRO 80 16.348 10.806 5.498 666 HD3 PRO 80 2HD PRO 80 17.168 12.376 5.626 667 H SER 81 H SER 81 20.599 10.084 1.849 668 HA SER 81 HA SER 81 19.736 7.301 1.973 669 HB2 SER 81 1HB SER 81 19.424 9.083 -0.400 670 HB3 SER 81 2HB SER 81 19.917 7.414 -0.680 671 HG SER 81 HG SER 81 17.621 7.720 -0.685 672 H SER 82 H SER 82 21.225 5.867 0.728 673 HA SER 82 HA SER 82 23.951 6.655 1.264 674 HB2 SER 82 1HB SER 82 24.521 4.350 0.762 675 HB3 SER 82 2HB SER 82 23.096 4.375 1.800 676 HG SER 82 HG SER 82 22.994 2.935 -0.065 677 H GLY 83 H GLY 83 25.621 5.842 -0.464 678 HA2 GLY 83 1HA GLY 83 25.651 5.574 -3.017 679 HA3 GLY 83 2HA GLY 83 24.846 7.136 -2.995 Start of MODEL 3 1 H1 GLY 1 H GLY 1 4.989 -18.024 -28.314 2 HA2 GLY 1 1HA GLY 1 3.458 -17.198 -26.305 3 HA3 GLY 1 2HA GLY 1 4.081 -18.841 -26.326 4 H SER 2 H SER 2 3.501 -16.768 -24.158 5 HA SER 2 HA SER 2 6.056 -17.127 -22.745 6 HB2 SER 2 1HB SER 2 4.462 -14.626 -23.115 7 HB3 SER 2 2HB SER 2 5.305 -14.867 -21.585 8 HG SER 2 HG SER 2 6.438 -14.841 -24.186 9 H SER 3 H SER 3 2.654 -16.175 -22.256 10 HA SER 3 HA SER 3 2.350 -18.206 -20.217 11 HB2 SER 3 1HB SER 3 2.429 -15.277 -19.584 12 HB3 SER 3 2HB SER 3 1.362 -16.335 -18.661 13 HG SER 3 HG SER 3 3.990 -17.179 -19.020 14 H GLY 4 H GLY 4 0.024 -17.910 -19.203 15 HA2 GLY 4 1HA GLY 4 -1.781 -17.419 -21.486 16 HA3 GLY 4 2HA GLY 4 -2.076 -18.596 -20.214 17 H SER 5 H SER 5 -3.932 -17.908 -19.320 18 HA SER 5 HA SER 5 -3.931 -15.693 -17.584 19 HB2 SER 5 1HB SER 5 -5.415 -14.160 -18.677 20 HB3 SER 5 2HB SER 5 -4.105 -14.504 -19.806 21 HG SER 5 HG SER 5 -5.511 -16.028 -20.813 22 H SER 6 H SER 6 -6.239 -15.230 -16.778 23 HA SER 6 HA SER 6 -8.172 -17.323 -17.171 24 HB2 SER 6 1HB SER 6 -8.155 -18.169 -14.880 25 HB3 SER 6 2HB SER 6 -6.577 -18.418 -15.626 26 HG SER 6 HG SER 6 -6.935 -16.035 -14.248 27 H GLY 7 H GLY 7 -10.031 -17.041 -15.532 28 HA2 GLY 7 1HA GLY 7 -10.417 -14.142 -15.112 29 HA3 GLY 7 2HA GLY 7 -11.706 -15.247 -15.565 30 H LYS 8 H LYS 8 -11.579 -13.438 -13.292 31 HA LYS 8 HA LYS 8 -12.578 -15.180 -11.300 32 HB2 LYS 8 1HB LYS 8 -10.882 -14.765 -9.552 33 HB3 LYS 8 2HB LYS 8 -10.240 -15.694 -10.901 34 HG2 LYS 8 1HG LYS 8 -9.907 -12.725 -10.822 35 HG3 LYS 8 2HG LYS 8 -8.835 -13.775 -9.892 36 HD2 LYS 8 1HD LYS 8 -8.372 -15.026 -12.017 37 HD3 LYS 8 2HD LYS 8 -9.271 -13.773 -12.876 38 HE2 LYS 8 1HE LYS 8 -7.682 -12.110 -11.795 39 HE3 LYS 8 2HE LYS 8 -6.705 -13.501 -11.330 40 HZ1 LYS 8 1HZ LYS 8 -6.871 -14.073 -13.831 41 HZ2 LYS 8 2HZ LYS 8 -5.775 -12.889 -13.325 42 HZ3 LYS 8 3HZ LYS 8 -7.250 -12.435 -14.018 43 H LYS 9 H LYS 9 -13.870 -14.084 -9.920 44 HA LYS 9 HA LYS 9 -13.467 -11.248 -9.452 45 HB2 LYS 9 1HB LYS 9 -15.954 -12.312 -10.801 46 HB3 LYS 9 2HB LYS 9 -15.798 -10.691 -10.135 47 HG2 LYS 9 1HG LYS 9 -15.315 -10.256 -12.311 48 HG3 LYS 9 2HG LYS 9 -13.691 -10.622 -11.724 49 HD2 LYS 9 1HD LYS 9 -13.775 -11.928 -13.614 50 HD3 LYS 9 2HD LYS 9 -14.338 -13.074 -12.395 51 HE2 LYS 9 1HE LYS 9 -16.213 -11.370 -14.017 52 HE3 LYS 9 2HE LYS 9 -15.670 -12.960 -14.552 53 HZ1 LYS 9 1HZ LYS 9 -16.526 -13.791 -12.343 54 HZ2 LYS 9 2HZ LYS 9 -17.699 -13.311 -13.464 55 HZ3 LYS 9 3HZ LYS 9 -17.298 -12.295 -12.172 56 H ARG 10 H ARG 10 -13.489 -11.255 -7.295 57 HA ARG 10 HA ARG 10 -15.808 -12.459 -5.950 58 HB2 ARG 10 1HB ARG 10 -12.910 -12.897 -5.407 59 HB3 ARG 10 2HB ARG 10 -14.004 -12.820 -4.032 60 HG2 ARG 10 1HG ARG 10 -14.596 -14.618 -6.346 61 HG3 ARG 10 2HG ARG 10 -13.467 -15.109 -5.082 62 HD2 ARG 10 1HD ARG 10 -15.417 -15.953 -4.232 63 HD3 ARG 10 2HD ARG 10 -15.426 -14.349 -3.500 64 HE ARG 10 HE ARG 10 -17.285 -13.847 -4.728 65 HH11 ARG 10 2HH1 ARG 10 -15.719 -16.620 -6.136 66 HH12 ARG 10 1HH1 ARG 10 -16.989 -16.921 -7.276 67 HH21 ARG 10 2HH2 ARG 10 -18.962 -14.232 -6.225 68 HH22 ARG 10 1HH2 ARG 10 -18.832 -15.561 -7.327 69 H LYS 11 H LYS 11 -16.396 -11.474 -3.949 70 HA LYS 11 HA LYS 11 -15.522 -8.673 -3.776 71 HB2 LYS 11 1HB LYS 11 -17.987 -9.343 -4.151 72 HB3 LYS 11 2HB LYS 11 -17.975 -9.806 -2.455 73 HG2 LYS 11 1HG LYS 11 -17.797 -7.645 -1.720 74 HG3 LYS 11 2HG LYS 11 -17.021 -7.089 -3.205 75 HD2 LYS 11 1HD LYS 11 -19.106 -6.176 -3.469 76 HD3 LYS 11 2HD LYS 11 -19.346 -7.733 -4.264 77 HE2 LYS 11 1HE LYS 11 -20.165 -8.591 -2.026 78 HE3 LYS 11 2HE LYS 11 -20.180 -6.911 -1.491 79 HZ1 LYS 11 1HZ LYS 11 -22.295 -8.028 -2.527 80 HZ2 LYS 11 2HZ LYS 11 -21.562 -7.581 -3.984 81 HZ3 LYS 11 3HZ LYS 11 -21.933 -6.403 -2.829 82 H GLY 12 H GLY 12 -15.304 -7.706 -1.648 83 HA2 GLY 12 1HA GLY 12 -15.380 -8.522 0.826 84 HA3 GLY 12 2HA GLY 12 -14.139 -9.623 0.246 85 H ASN 13 H ASN 13 -14.017 -7.494 2.285 86 HA ASN 13 HA ASN 13 -11.898 -5.850 1.062 87 HB2 ASN 13 1HB ASN 13 -13.849 -5.155 3.263 88 HB3 ASN 13 2HB ASN 13 -12.424 -4.187 2.894 89 HD21 ASN 13 1HD2 ASN 13 -12.287 -3.967 0.301 90 HD22 ASN 13 2HD2 ASN 13 -13.721 -3.285 -0.380 91 H LEU 14 H LEU 14 -10.098 -5.299 2.434 92 HA LEU 14 HA LEU 14 -9.511 -7.433 4.357 93 HB2 LEU 14 1HB LEU 14 -7.512 -5.471 3.296 94 HB3 LEU 14 2HB LEU 14 -7.240 -7.089 3.939 95 HG LEU 14 HG LEU 14 -8.783 -6.775 1.403 96 HD11 LEU 14 1HD1 LEU 14 -6.145 -5.775 1.759 97 HD12 LEU 14 2HD1 LEU 14 -7.098 -5.881 0.280 98 HD13 LEU 14 3HD1 LEU 14 -6.066 -7.227 0.762 99 HD21 LEU 14 1HD2 LEU 14 -8.417 -8.976 1.186 100 HD22 LEU 14 2HD2 LEU 14 -8.042 -8.921 2.909 101 HD23 LEU 14 3HD2 LEU 14 -6.740 -8.851 1.720 102 HA PRO 15 HA PRO 15 -9.639 -4.746 7.828 103 HB2 PRO 15 1HB PRO 15 -7.745 -5.876 9.411 104 HB3 PRO 15 2HB PRO 15 -9.324 -6.616 9.126 105 HG2 PRO 15 1HG PRO 15 -6.689 -7.223 7.843 106 HG3 PRO 15 2HG PRO 15 -7.935 -8.343 8.424 107 HD2 PRO 15 1HD PRO 15 -7.653 -7.707 5.807 108 HD3 PRO 15 2HD PRO 15 -9.229 -8.082 6.534 109 H ALA 16 H ALA 16 -8.804 -2.806 8.299 110 HA ALA 16 HA ALA 16 -6.915 -1.452 6.995 111 HB1 ALA 16 1HB ALA 16 -7.102 0.143 8.575 112 HB2 ALA 16 2HB ALA 16 -8.367 -0.915 9.201 113 HB3 ALA 16 3HB ALA 16 -6.747 -0.972 9.895 114 H GLU 17 H GLU 17 -6.112 -3.049 10.088 115 HA GLU 17 HA GLU 17 -3.468 -2.723 10.270 116 HB2 GLU 17 1HB GLU 17 -5.135 -4.325 11.561 117 HB3 GLU 17 2HB GLU 17 -4.395 -5.547 10.536 118 HG2 GLU 17 1HG GLU 17 -2.167 -4.765 11.375 119 HG3 GLU 17 2HG GLU 17 -3.036 -3.765 12.538 120 H SER 18 H SER 18 -4.917 -5.313 8.295 121 HA SER 18 HA SER 18 -2.468 -6.173 7.175 122 HB2 SER 18 1HB SER 18 -3.739 -7.633 5.870 123 HB3 SER 18 2HB SER 18 -4.784 -7.369 7.267 124 HG SER 18 HG SER 18 -6.109 -6.160 6.074 125 H VAL 19 H VAL 19 -4.912 -3.859 6.122 126 HA VAL 19 HA VAL 19 -4.024 -3.394 3.525 127 HB VAL 19 HB VAL 19 -5.251 -1.407 5.444 128 HG11 VAL 19 1HG1 VAL 19 -4.402 -0.090 3.730 129 HG12 VAL 19 2HG1 VAL 19 -4.706 -1.318 2.500 130 HG13 VAL 19 3HG1 VAL 19 -6.051 -0.414 3.198 131 HG21 VAL 19 1HG2 VAL 19 -6.396 -3.693 4.675 132 HG22 VAL 19 2HG2 VAL 19 -7.309 -2.202 4.906 133 HG23 VAL 19 3HG2 VAL 19 -6.817 -2.694 3.285 134 H LYS 20 H LYS 20 -3.165 -1.634 6.503 135 HA LYS 20 HA LYS 20 -1.482 0.274 5.617 136 HB2 LYS 20 1HB LYS 20 -1.846 0.051 7.962 137 HB3 LYS 20 2HB LYS 20 -1.140 -1.560 7.987 138 HG2 LYS 20 1HG LYS 20 1.010 -0.771 7.920 139 HG3 LYS 20 2HG LYS 20 0.547 0.738 7.128 140 HD2 LYS 20 1HD LYS 20 -0.292 0.097 9.942 141 HD3 LYS 20 2HD LYS 20 1.259 0.860 9.582 142 HE2 LYS 20 1HE LYS 20 0.103 2.695 8.464 143 HE3 LYS 20 2HE LYS 20 -1.450 1.924 8.782 144 HZ1 LYS 20 1HZ LYS 20 -1.500 2.910 10.746 145 HZ2 LYS 20 2HZ LYS 20 -0.017 3.660 10.435 146 HZ3 LYS 20 3HZ LYS 20 -0.058 2.153 11.202 147 H ILE 21 H ILE 21 -0.686 -3.159 5.917 148 HA ILE 21 HA ILE 21 2.038 -2.962 5.252 149 HB ILE 21 HB ILE 21 0.080 -5.232 4.946 150 HG12 ILE 21 1HG1 ILE 21 1.843 -6.063 6.774 151 HG13 ILE 21 2HG1 ILE 21 2.031 -4.328 7.006 152 HG21 ILE 21 1HG2 ILE 21 1.870 -5.420 3.262 153 HG22 ILE 21 2HG2 ILE 21 3.067 -5.338 4.554 154 HG23 ILE 21 3HG2 ILE 21 1.946 -6.697 4.475 155 HD11 ILE 21 1HD1 ILE 21 -0.737 -4.869 6.916 156 HD12 ILE 21 2HD1 ILE 21 0.007 -6.051 7.995 157 HD13 ILE 21 3HD1 ILE 21 0.235 -4.327 8.285 158 H LEU 22 H LEU 22 -0.820 -3.563 3.232 159 HA LEU 22 HA LEU 22 0.646 -3.776 0.802 160 HB2 LEU 22 1HB LEU 22 -2.266 -3.239 1.351 161 HB3 LEU 22 2HB LEU 22 -1.599 -3.485 -0.262 162 HG LEU 22 HG LEU 22 -1.666 -5.508 1.977 163 HD11 LEU 22 1HD1 LEU 22 -3.331 -5.016 -0.442 164 HD12 LEU 22 2HD1 LEU 22 -3.811 -5.528 1.176 165 HD13 LEU 22 3HD1 LEU 22 -3.046 -6.677 0.079 166 HD21 LEU 22 1HD2 LEU 22 0.195 -6.225 0.900 167 HD22 LEU 22 2HD2 LEU 22 -0.224 -5.408 -0.606 168 HD23 LEU 22 3HD2 LEU 22 -1.005 -6.933 -0.182 169 H ARG 23 H ARG 23 -1.456 -1.199 2.092 170 HA ARG 23 HA ARG 23 -1.142 0.688 0.127 171 HB2 ARG 23 1HB ARG 23 -1.584 0.865 3.076 172 HB3 ARG 23 2HB ARG 23 -1.261 2.343 2.181 173 HG2 ARG 23 1HG ARG 23 -3.160 1.757 0.673 174 HG3 ARG 23 2HG ARG 23 -3.529 0.414 1.757 175 HD2 ARG 23 1HD ARG 23 -4.917 2.359 2.254 176 HD3 ARG 23 2HD ARG 23 -3.843 1.980 3.601 177 HE ARG 23 HE ARG 23 -3.766 4.333 1.912 178 HH11 ARG 23 2HH1 ARG 23 -2.121 2.363 4.265 179 HH12 ARG 23 1HH1 ARG 23 -1.057 3.631 4.775 180 HH21 ARG 23 2HH2 ARG 23 -2.370 6.011 2.575 181 HH22 ARG 23 1HH2 ARG 23 -1.200 5.706 3.814 182 H ASP 24 H ASP 24 0.813 0.565 3.112 183 HA ASP 24 HA ASP 24 2.633 2.492 2.709 184 HB2 ASP 24 1HB ASP 24 2.530 0.607 4.516 185 HB3 ASP 24 2HB ASP 24 3.680 -0.215 3.466 186 H TRP 25 H TRP 25 2.787 -0.717 1.197 187 HA TRP 25 HA TRP 25 5.162 -0.141 -0.277 188 HB2 TRP 25 1HB TRP 25 4.653 -2.436 0.243 189 HB3 TRP 25 2HB TRP 25 3.088 -2.322 -0.557 190 HD1 TRP 25 HD TRP 25 6.698 -3.106 -1.215 191 HE1 TRP 25 1HE TRP 25 7.023 -3.674 -3.704 192 HE3 TRP 25 3HE TRP 25 2.134 -1.634 -2.985 193 HZ2 TRP 25 2HZ TRP 25 5.541 -3.517 -6.101 194 HZ3 TRP 25 3HZ TRP 25 1.668 -1.875 -5.389 195 HH2 TRP 25 HH TRP 25 3.338 -2.797 -6.913 196 H MET 26 H MET 26 1.705 -0.127 -1.030 197 HA MET 26 HA MET 26 1.910 0.353 -3.782 198 HB2 MET 26 1HB MET 26 -0.197 -0.311 -2.870 199 HB3 MET 26 2HB MET 26 -0.233 1.071 -1.783 200 HG2 MET 26 1HG MET 26 -0.279 2.515 -3.871 201 HG3 MET 26 2HG MET 26 -0.619 1.029 -4.755 202 HE1 MET 26 1HE MET 26 -3.013 1.485 -5.696 203 HE2 MET 26 2HE MET 26 -2.796 -0.092 -4.937 204 HE3 MET 26 3HE MET 26 -4.278 0.825 -4.660 205 H TYR 27 H TYR 27 2.348 2.439 -1.056 206 HA TYR 27 HA TYR 27 1.939 4.918 -2.373 207 HB2 TYR 27 1HB TYR 27 1.935 4.608 0.104 208 HB3 TYR 27 2HB TYR 27 3.677 4.363 0.040 209 HD1 TYR 27 2HD TYR 27 1.085 6.852 -0.981 210 HD2 TYR 27 1HD TYR 27 5.067 6.185 0.361 211 HE1 TYR 27 2HE TYR 27 1.426 9.281 -0.807 212 HE2 TYR 27 1HE TYR 27 5.419 8.613 0.541 213 HH TYR 27 HH TYR 27 2.966 10.830 0.551 214 H LYS 28 H LYS 28 4.904 3.132 -1.535 215 HA LYS 28 HA LYS 28 6.703 4.911 -2.752 216 HB2 LYS 28 1HB LYS 28 6.892 1.971 -2.112 217 HB3 LYS 28 2HB LYS 28 8.234 2.875 -2.801 218 HG2 LYS 28 1HG LYS 28 8.009 4.447 -0.830 219 HG3 LYS 28 2HG LYS 28 6.932 3.241 -0.121 220 HD2 LYS 28 1HD LYS 28 8.847 1.579 -0.565 221 HD3 LYS 28 2HD LYS 28 9.855 3.014 -0.763 222 HE2 LYS 28 1HE LYS 28 8.138 2.563 1.664 223 HE3 LYS 28 2HE LYS 28 9.792 1.962 1.551 224 HZ1 LYS 28 1HZ LYS 28 9.079 4.408 2.449 225 HZ2 LYS 28 2HZ LYS 28 9.519 4.739 0.850 226 HZ3 LYS 28 3HZ LYS 28 10.621 3.990 1.892 227 H HIS 29 H HIS 29 5.154 1.965 -3.986 228 HA HIS 29 HA HIS 29 6.272 2.445 -6.635 229 HB2 HIS 29 1HB HIS 29 4.438 0.208 -5.761 230 HB3 HIS 29 2HB HIS 29 5.419 0.271 -7.223 231 HD1 HIS 29 1HD HIS 29 8.013 -0.034 -6.911 232 HD2 HIS 29 2HD HIS 29 5.740 -0.691 -3.496 233 HE1 HIS 29 1HE HIS 29 9.539 -1.225 -5.306 234 HE2 HIS 29 2HE HIS 29 8.117 -1.688 -3.280 235 H ARG 30 H ARG 30 3.790 3.698 -5.003 236 HA ARG 30 HA ARG 30 1.429 3.450 -6.241 237 HB2 ARG 30 1HB ARG 30 0.949 5.749 -5.763 238 HB3 ARG 30 2HB ARG 30 1.998 5.143 -4.489 239 HG2 ARG 30 1HG ARG 30 3.926 6.183 -5.664 240 HG3 ARG 30 2HG ARG 30 2.782 6.899 -6.802 241 HD2 ARG 30 1HD ARG 30 1.638 7.721 -4.559 242 HD3 ARG 30 2HD ARG 30 3.279 7.536 -3.941 243 HE ARG 30 HE ARG 30 2.339 9.509 -5.838 244 HH11 ARG 30 2HH1 ARG 30 5.080 7.898 -4.420 245 HH12 ARG 30 1HH1 ARG 30 6.198 9.155 -4.832 246 HH21 ARG 30 2HH2 ARG 30 3.801 11.172 -6.387 247 HH22 ARG 30 1HH2 ARG 30 5.469 11.017 -5.950 248 H PHE 31 H PHE 31 4.222 5.146 -7.591 249 HA PHE 31 HA PHE 31 3.294 6.413 -9.765 250 HB2 PHE 31 1HB PHE 31 5.739 4.782 -9.305 251 HB3 PHE 31 2HB PHE 31 5.389 5.258 -10.964 252 HD1 PHE 31 2HD PHE 31 4.832 7.115 -7.792 253 HD2 PHE 31 1HD PHE 31 6.954 6.885 -11.474 254 HE1 PHE 31 2HE PHE 31 5.818 9.328 -7.359 255 HE2 PHE 31 1HE PHE 31 7.944 9.096 -11.047 256 HZ PHE 31 HZ PHE 31 7.375 10.322 -8.987 257 H LYS 32 H LYS 32 3.768 2.902 -9.565 258 HA LYS 32 HA LYS 32 2.304 2.602 -12.095 259 HB2 LYS 32 1HB LYS 32 3.227 0.345 -12.186 260 HB3 LYS 32 2HB LYS 32 4.512 1.530 -12.000 261 HG2 LYS 32 1HG LYS 32 4.599 1.025 -9.594 262 HG3 LYS 32 2HG LYS 32 3.360 -0.210 -9.829 263 HD2 LYS 32 1HD LYS 32 5.250 -1.500 -9.951 264 HD3 LYS 32 2HD LYS 32 5.048 -1.081 -11.653 265 HE2 LYS 32 1HE LYS 32 6.627 0.798 -11.332 266 HE3 LYS 32 2HE LYS 32 6.877 0.269 -9.669 267 HZ1 LYS 32 1HZ LYS 32 7.294 -1.968 -11.201 268 HZ2 LYS 32 2HZ LYS 32 8.482 -1.020 -10.460 269 HZ3 LYS 32 3HZ LYS 32 8.045 -0.723 -12.067 270 H ALA 33 H ALA 33 2.282 1.744 -8.701 271 HA ALA 33 HA ALA 33 0.698 0.818 -7.353 272 HB1 ALA 33 1HB ALA 33 -1.722 1.027 -8.547 273 HB2 ALA 33 2HB ALA 33 -0.927 2.338 -7.676 274 HB3 ALA 33 3HB ALA 33 -0.807 2.248 -9.433 275 H TYR 34 H TYR 34 2.064 -1.064 -8.695 276 HA TYR 34 HA TYR 34 0.165 -3.213 -8.848 277 HB2 TYR 34 1HB TYR 34 1.597 -2.258 -11.322 278 HB3 TYR 34 2HB TYR 34 1.034 -3.918 -11.158 279 HD1 TYR 34 1HD TYR 34 -1.523 -4.078 -10.343 280 HD2 TYR 34 2HD TYR 34 0.204 -0.784 -12.411 281 HE1 TYR 34 1HE TYR 34 -3.757 -3.401 -11.118 282 HE2 TYR 34 2HE TYR 34 -2.026 -0.097 -13.190 283 HH TYR 34 HH TYR 34 -4.328 -0.368 -12.654 284 HA PRO 35 HA PRO 35 4.034 -4.711 -7.080 285 HB2 PRO 35 1HB PRO 35 2.898 -6.856 -5.865 286 HB3 PRO 35 2HB PRO 35 2.840 -5.225 -5.186 287 HG2 PRO 35 1HG PRO 35 0.754 -6.703 -6.743 288 HG3 PRO 35 2HG PRO 35 0.566 -5.700 -5.293 289 HD2 PRO 35 1HD PRO 35 -0.003 -4.789 -7.779 290 HD3 PRO 35 2HD PRO 35 0.618 -3.733 -6.494 291 H SER 36 H SER 36 5.047 -6.951 -7.083 292 HA SER 36 HA SER 36 4.451 -8.270 -9.649 293 HB2 SER 36 1HB SER 36 6.737 -7.054 -9.166 294 HB3 SER 36 2HB SER 36 7.109 -8.542 -8.296 295 HG SER 36 HG SER 36 7.714 -8.507 -10.571 296 H GLU 37 H GLU 37 4.625 -10.549 -9.775 297 HA GLU 37 HA GLU 37 3.343 -12.086 -8.019 298 HB2 GLU 37 1HB GLU 37 4.488 -12.739 -10.246 299 HB3 GLU 37 2HB GLU 37 5.856 -13.194 -9.241 300 HG2 GLU 37 1HG GLU 37 4.395 -14.733 -7.994 301 HG3 GLU 37 2HG GLU 37 3.067 -14.314 -9.075 302 H GLU 38 H GLU 38 6.660 -11.020 -7.659 303 HA GLU 38 HA GLU 38 7.221 -12.690 -5.398 304 HB2 GLU 38 1HB GLU 38 8.625 -10.382 -6.709 305 HB3 GLU 38 2HB GLU 38 9.181 -11.008 -5.163 306 HG2 GLU 38 1HG GLU 38 9.112 -12.379 -7.823 307 HG3 GLU 38 2HG GLU 38 10.488 -12.095 -6.759 308 H GLU 39 H GLU 39 6.552 -9.220 -5.823 309 HA GLU 39 HA GLU 39 6.682 -8.436 -3.170 310 HB2 GLU 39 1HB GLU 39 4.756 -7.382 -5.248 311 HB3 GLU 39 2HB GLU 39 5.286 -6.544 -3.796 312 HG2 GLU 39 1HG GLU 39 7.135 -7.387 -6.012 313 HG3 GLU 39 2HG GLU 39 6.384 -5.796 -5.903 314 H LYS 40 H LYS 40 3.793 -9.466 -4.984 315 HA LYS 40 HA LYS 40 1.951 -9.319 -2.914 316 HB2 LYS 40 1HB LYS 40 1.702 -11.590 -4.816 317 HB3 LYS 40 2HB LYS 40 0.500 -10.409 -4.313 318 HG2 LYS 40 1HG LYS 40 1.894 -8.729 -5.676 319 HG3 LYS 40 2HG LYS 40 2.621 -10.161 -6.408 320 HD2 LYS 40 1HD LYS 40 0.286 -10.943 -6.934 321 HD3 LYS 40 2HD LYS 40 -0.281 -9.350 -6.425 322 HE2 LYS 40 1HE LYS 40 1.021 -8.285 -8.148 323 HE3 LYS 40 2HE LYS 40 1.762 -9.821 -8.592 324 HZ1 LYS 40 1HZ LYS 40 0.131 -9.680 -10.154 325 HZ2 LYS 40 2HZ LYS 40 -0.933 -8.826 -9.155 326 HZ3 LYS 40 3HZ LYS 40 -0.731 -10.492 -8.945 327 H GLN 41 H GLN 41 3.659 -12.252 -4.024 328 HA GLN 41 HA GLN 41 2.805 -14.001 -2.082 329 HB2 GLN 41 1HB GLN 41 4.269 -14.473 -4.114 330 HB3 GLN 41 2HB GLN 41 5.634 -13.978 -3.122 331 HG2 GLN 41 1HG GLN 41 5.256 -16.437 -3.242 332 HG3 GLN 41 2HG GLN 41 5.298 -15.772 -1.610 333 HE21 GLN 41 1HE2 GLN 41 3.303 -15.496 -0.491 334 HE22 GLN 41 2HE2 GLN 41 1.938 -16.479 -0.883 335 H MET 42 H MET 42 5.230 -11.492 -1.849 336 HA MET 42 HA MET 42 6.292 -12.369 0.661 337 HB2 MET 42 1HB MET 42 7.826 -11.069 -0.466 338 HB3 MET 42 2HB MET 42 6.603 -9.959 -1.069 339 HG2 MET 42 1HG MET 42 6.369 -9.067 1.241 340 HG3 MET 42 2HG MET 42 7.730 -10.081 1.715 341 HE1 MET 42 1HE MET 42 7.806 -6.189 -0.653 342 HE2 MET 42 2HE MET 42 6.977 -7.554 -1.400 343 HE3 MET 42 3HE MET 42 6.442 -6.949 0.169 344 H LEU 43 H LEU 43 4.166 -9.672 -0.294 345 HA LEU 43 HA LEU 43 3.645 -8.701 2.267 346 HB2 LEU 43 1HB LEU 43 1.763 -8.700 -0.086 347 HB3 LEU 43 2HB LEU 43 1.702 -7.622 1.307 348 HG LEU 43 HG LEU 43 4.140 -7.634 -0.414 349 HD11 LEU 43 1HD1 LEU 43 1.561 -6.223 -1.079 350 HD12 LEU 43 2HD1 LEU 43 2.336 -7.494 -2.023 351 HD13 LEU 43 3HD1 LEU 43 3.118 -5.923 -1.850 352 HD21 LEU 43 1HD2 LEU 43 2.683 -5.611 1.273 353 HD22 LEU 43 2HD2 LEU 43 4.034 -5.202 0.216 354 HD23 LEU 43 3HD2 LEU 43 4.272 -6.319 1.560 355 H SER 44 H SER 44 1.936 -11.158 0.368 356 HA SER 44 HA SER 44 -0.259 -11.633 1.931 357 HB2 SER 44 1HB SER 44 -0.296 -12.971 0.071 358 HB3 SER 44 2HB SER 44 1.426 -13.339 0.170 359 HG SER 44 HG SER 44 -0.450 -14.338 2.037 360 H GLU 45 H GLU 45 3.051 -12.283 2.679 361 HA GLU 45 HA GLU 45 2.540 -14.175 4.771 362 HB2 GLU 45 1HB GLU 45 4.992 -12.534 4.115 363 HB3 GLU 45 2HB GLU 45 4.934 -13.779 5.355 364 HG2 GLU 45 1HG GLU 45 4.216 -15.367 3.507 365 HG3 GLU 45 2HG GLU 45 4.705 -14.100 2.384 366 H LYS 46 H LYS 46 3.109 -10.700 4.589 367 HA LYS 46 HA LYS 46 3.092 -10.361 7.449 368 HB2 LYS 46 1HB LYS 46 2.870 -8.275 5.271 369 HB3 LYS 46 2HB LYS 46 3.231 -7.975 6.965 370 HG2 LYS 46 1HG LYS 46 5.385 -8.677 6.778 371 HG3 LYS 46 2HG LYS 46 5.016 -9.826 5.490 372 HD2 LYS 46 1HD LYS 46 6.122 -8.248 4.269 373 HD3 LYS 46 2HD LYS 46 4.486 -7.593 4.160 374 HE2 LYS 46 1HE LYS 46 5.153 -6.326 6.339 375 HE3 LYS 46 2HE LYS 46 6.800 -6.665 5.811 376 HZ1 LYS 46 1HZ LYS 46 4.997 -4.697 4.866 377 HZ2 LYS 46 2HZ LYS 46 5.466 -5.705 3.592 378 HZ3 LYS 46 3HZ LYS 46 6.638 -4.898 4.507 379 H THR 47 H THR 47 0.829 -9.867 4.787 380 HA THR 47 HA THR 47 -1.225 -8.865 6.580 381 HB THR 47 HB THR 47 -2.623 -8.669 4.574 382 HG1 THR 47 1HG THR 47 -0.409 -9.956 3.335 383 HG21 THR 47 1HG2 THR 47 -1.141 -6.819 5.095 384 HG22 THR 47 2HG2 THR 47 -1.242 -7.026 3.346 385 HG23 THR 47 3HG2 THR 47 0.178 -7.597 4.221 386 H ASN 48 H ASN 48 -0.162 -11.864 5.375 387 HA ASN 48 HA ASN 48 -0.927 -13.991 5.628 388 HB2 ASN 48 1HB ASN 48 -1.390 -13.288 7.949 389 HB3 ASN 48 2HB ASN 48 -2.982 -12.722 7.453 390 HD21 ASN 48 1HD2 ASN 48 -3.928 -14.144 8.951 391 HD22 ASN 48 2HD2 ASN 48 -4.057 -15.835 8.624 392 H LEU 49 H LEU 49 -1.956 -12.213 3.534 393 HA LEU 49 HA LEU 49 -4.643 -13.315 3.106 394 HB2 LEU 49 1HB LEU 49 -3.296 -11.193 1.459 395 HB3 LEU 49 2HB LEU 49 -5.013 -11.584 1.538 396 HG LEU 49 HG LEU 49 -3.527 -10.477 3.904 397 HD11 LEU 49 1HD1 LEU 49 -4.739 -9.021 1.578 398 HD12 LEU 49 2HD1 LEU 49 -3.155 -8.798 2.319 399 HD13 LEU 49 3HD1 LEU 49 -4.608 -8.282 3.174 400 HD21 LEU 49 1HD2 LEU 49 -6.009 -11.567 3.697 401 HD22 LEU 49 2HD2 LEU 49 -6.354 -9.858 3.427 402 HD23 LEU 49 3HD2 LEU 49 -5.533 -10.370 4.903 403 H SER 50 H SER 50 -4.962 -13.391 0.485 404 HA SER 50 HA SER 50 -2.866 -15.233 -0.465 405 HB2 SER 50 1HB SER 50 -5.832 -15.267 -1.075 406 HB3 SER 50 2HB SER 50 -4.640 -16.373 -1.757 407 HG SER 50 HG SER 50 -5.851 -17.108 0.162 408 H LEU 51 H LEU 51 -2.005 -14.929 -2.452 409 HA LEU 51 HA LEU 51 -1.722 -12.588 -3.681 410 HB2 LEU 51 1HB LEU 51 -1.994 -15.298 -4.946 411 HB3 LEU 51 2HB LEU 51 -1.568 -13.868 -5.885 412 HG LEU 51 HG LEU 51 0.393 -13.598 -4.277 413 HD11 LEU 51 1HD1 LEU 51 0.960 -16.133 -3.544 414 HD12 LEU 51 2HD1 LEU 51 -0.789 -16.116 -3.321 415 HD13 LEU 51 3HD1 LEU 51 0.218 -14.938 -2.479 416 HD21 LEU 51 1HD2 LEU 51 1.166 -16.018 -5.535 417 HD22 LEU 51 2HD2 LEU 51 1.487 -14.361 -6.048 418 HD23 LEU 51 3HD2 LEU 51 0.032 -15.190 -6.603 419 H LEU 52 H LEU 52 -4.487 -14.733 -4.179 420 HA LEU 52 HA LEU 52 -5.748 -13.360 -6.245 421 HB2 LEU 52 1HB LEU 52 -6.561 -15.494 -5.671 422 HB3 LEU 52 2HB LEU 52 -6.809 -15.032 -3.988 423 HG LEU 52 HG LEU 52 -8.674 -13.577 -4.693 424 HD11 LEU 52 1HD1 LEU 52 -8.136 -12.988 -6.907 425 HD12 LEU 52 2HD1 LEU 52 -9.570 -14.007 -7.023 426 HD13 LEU 52 3HD1 LEU 52 -7.983 -14.674 -7.404 427 HD21 LEU 52 1HD2 LEU 52 -10.239 -15.292 -4.868 428 HD22 LEU 52 2HD2 LEU 52 -8.865 -16.068 -4.079 429 HD23 LEU 52 3HD2 LEU 52 -9.152 -16.320 -5.802 430 H GLN 53 H GLN 53 -6.177 -12.989 -2.731 431 HA GLN 53 HA GLN 53 -7.994 -10.805 -2.983 432 HB2 GLN 53 1HB GLN 53 -6.431 -11.937 -0.670 433 HB3 GLN 53 2HB GLN 53 -7.456 -10.518 -0.499 434 HG2 GLN 53 1HG GLN 53 -9.254 -12.092 -1.591 435 HG3 GLN 53 2HG GLN 53 -8.202 -13.357 -0.956 436 HE21 GLN 53 1HE2 GLN 53 -7.456 -12.783 1.394 437 HE22 GLN 53 2HE2 GLN 53 -8.743 -12.361 2.466 438 H ILE 54 H ILE 54 -4.537 -11.115 -2.795 439 HA ILE 54 HA ILE 54 -3.895 -8.494 -1.993 440 HB ILE 54 HB ILE 54 -2.303 -10.385 -3.729 441 HG12 ILE 54 1HG1 ILE 54 -2.818 -11.339 -1.543 442 HG13 ILE 54 2HG1 ILE 54 -1.113 -10.910 -1.628 443 HG21 ILE 54 1HG2 ILE 54 -0.701 -8.851 -3.875 444 HG22 ILE 54 2HG2 ILE 54 -1.853 -7.681 -3.233 445 HG23 ILE 54 3HG2 ILE 54 -0.763 -8.535 -2.141 446 HD11 ILE 54 1HD1 ILE 54 -3.305 -9.662 -0.049 447 HD12 ILE 54 2HD1 ILE 54 -1.685 -10.148 0.454 448 HD13 ILE 54 3HD1 ILE 54 -1.908 -8.694 -0.519 449 H SER 55 H SER 55 -3.488 -9.834 -5.273 450 HA SER 55 HA SER 55 -3.198 -7.412 -6.586 451 HB2 SER 55 1HB SER 55 -2.788 -9.728 -7.528 452 HB3 SER 55 2HB SER 55 -4.528 -9.844 -7.792 453 HG SER 55 HG SER 55 -4.404 -8.110 -9.199 454 H ASN 56 H ASN 56 -6.167 -9.324 -6.142 455 HA ASN 56 HA ASN 56 -7.966 -7.768 -7.508 456 HB2 ASN 56 1HB ASN 56 -8.162 -9.541 -5.123 457 HB3 ASN 56 2HB ASN 56 -9.539 -8.501 -5.478 458 HD21 ASN 56 1HD2 ASN 56 -9.410 -11.372 -5.566 459 HD22 ASN 56 2HD2 ASN 56 -9.786 -11.839 -7.186 460 H TRP 57 H TRP 57 -6.911 -7.359 -4.140 461 HA TRP 57 HA TRP 57 -8.520 -5.162 -3.510 462 HB2 TRP 57 1HB TRP 57 -7.424 -6.278 -1.723 463 HB3 TRP 57 2HB TRP 57 -5.839 -6.066 -2.464 464 HD1 TRP 57 HD TRP 57 -8.497 -4.140 -0.484 465 HE1 TRP 57 1HE TRP 57 -7.410 -2.024 0.499 466 HE3 TRP 57 3HE TRP 57 -3.947 -4.414 -2.799 467 HZ2 TRP 57 2HZ TRP 57 -4.950 -0.652 0.317 468 HZ3 TRP 57 3HZ TRP 57 -2.283 -2.660 -2.341 469 HH2 TRP 57 HH TRP 57 -2.777 -0.818 -0.816 470 H PHE 58 H PHE 58 -5.226 -5.279 -4.833 471 HA PHE 58 HA PHE 58 -4.646 -2.577 -4.862 472 HB2 PHE 58 1HB PHE 58 -3.781 -4.916 -6.483 473 HB3 PHE 58 2HB PHE 58 -3.400 -3.317 -7.111 474 HD1 PHE 58 2HD PHE 58 -1.963 -1.789 -5.810 475 HD2 PHE 58 1HD PHE 58 -2.642 -5.815 -4.607 476 HE1 PHE 58 2HE PHE 58 -0.008 -1.670 -4.321 477 HE2 PHE 58 1HE PHE 58 -0.689 -5.702 -3.115 478 HZ PHE 58 HZ PHE 58 0.632 -3.628 -2.972 479 H ILE 59 H ILE 59 -6.724 -4.422 -6.976 480 HA ILE 59 HA ILE 59 -6.953 -2.625 -9.108 481 HB ILE 59 HB ILE 59 -9.049 -4.506 -8.017 482 HG12 ILE 59 1HG1 ILE 59 -7.235 -4.945 -10.384 483 HG13 ILE 59 2HG1 ILE 59 -6.782 -5.443 -8.758 484 HG21 ILE 59 1HG2 ILE 59 -8.857 -3.071 -10.660 485 HG22 ILE 59 2HG2 ILE 59 -9.982 -4.385 -10.319 486 HG23 ILE 59 3HG2 ILE 59 -10.099 -2.870 -9.424 487 HD11 ILE 59 1HD1 ILE 59 -8.915 -6.511 -10.541 488 HD12 ILE 59 2HD1 ILE 59 -7.679 -7.370 -9.620 489 HD13 ILE 59 3HD1 ILE 59 -9.071 -6.671 -8.792 490 H ASN 60 H ASN 60 -9.513 -3.143 -6.688 491 HA ASN 60 HA ASN 60 -10.735 -0.642 -7.185 492 HB2 ASN 60 1HB ASN 60 -11.068 -2.244 -4.652 493 HB3 ASN 60 2HB ASN 60 -12.242 -1.193 -5.438 494 HD21 ASN 60 1HD2 ASN 60 -13.626 -2.049 -6.846 495 HD22 ASN 60 2HD2 ASN 60 -13.575 -3.676 -7.426 496 H ALA 61 H ALA 61 -8.136 -1.621 -5.142 497 HA ALA 61 HA ALA 61 -8.292 0.645 -3.369 498 HB1 ALA 61 1HB ALA 61 -6.313 -0.203 -2.354 499 HB2 ALA 61 2HB ALA 61 -7.344 -1.585 -2.726 500 HB3 ALA 61 3HB ALA 61 -5.957 -1.217 -3.752 501 H ARG 62 H ARG 62 -6.743 -0.126 -6.383 502 HA ARG 62 HA ARG 62 -4.847 2.036 -6.263 503 HB2 ARG 62 1HB ARG 62 -4.201 0.138 -7.549 504 HB3 ARG 62 2HB ARG 62 -5.706 0.158 -8.460 505 HG2 ARG 62 1HG ARG 62 -5.030 2.291 -9.485 506 HG3 ARG 62 2HG ARG 62 -3.498 2.199 -8.613 507 HD2 ARG 62 1HD ARG 62 -3.312 -0.140 -9.741 508 HD3 ARG 62 2HD ARG 62 -4.507 0.508 -10.863 509 HE ARG 62 HE ARG 62 -1.729 1.194 -10.711 510 HH11 ARG 62 2HH1 ARG 62 -4.890 2.335 -11.622 511 HH12 ARG 62 1HH1 ARG 62 -4.287 3.485 -12.769 512 HH21 ARG 62 2HH2 ARG 62 -0.924 2.704 -12.219 513 HH22 ARG 62 1HH2 ARG 62 -2.031 3.693 -13.109 514 H ARG 63 H ARG 63 -8.141 1.808 -6.905 515 HA ARG 63 HA ARG 63 -8.129 4.218 -8.587 516 HB2 ARG 63 1HB ARG 63 -10.460 3.669 -9.107 517 HB3 ARG 63 2HB ARG 63 -9.389 2.327 -9.489 518 HG2 ARG 63 1HG ARG 63 -10.038 1.231 -7.390 519 HG3 ARG 63 2HG ARG 63 -11.145 2.564 -7.055 520 HD2 ARG 63 1HD ARG 63 -12.462 0.843 -7.992 521 HD3 ARG 63 2HD ARG 63 -12.243 2.038 -9.270 522 HE ARG 63 HE ARG 63 -10.296 -0.075 -9.319 523 HH11 ARG 63 2HH1 ARG 63 -13.474 0.915 -10.339 524 HH12 ARG 63 1HH1 ARG 63 -13.520 -0.167 -11.691 525 HH21 ARG 63 2HH2 ARG 63 -10.344 -1.504 -11.097 526 HH22 ARG 63 1HH2 ARG 63 -11.739 -1.543 -12.121 527 H ARG 64 H ARG 64 -8.417 3.295 -5.410 528 HA ARG 64 HA ARG 64 -9.970 5.713 -4.766 529 HB2 ARG 64 1HB ARG 64 -11.169 3.527 -4.313 530 HB3 ARG 64 2HB ARG 64 -9.944 3.202 -3.094 531 HG2 ARG 64 1HG ARG 64 -10.627 5.071 -1.792 532 HG3 ARG 64 2HG ARG 64 -11.683 5.654 -3.080 533 HD2 ARG 64 1HD ARG 64 -13.228 4.621 -1.755 534 HD3 ARG 64 2HD ARG 64 -12.772 3.268 -2.788 535 HE ARG 64 HE ARG 64 -11.208 3.478 -0.383 536 HH11 ARG 64 2HH1 ARG 64 -14.117 2.211 -1.815 537 HH12 ARG 64 1HH1 ARG 64 -14.290 0.938 -0.652 538 HH21 ARG 64 2HH2 ARG 64 -11.425 1.806 1.153 539 HH22 ARG 64 1HH2 ARG 64 -12.759 0.709 1.036 540 H ILE 65 H ILE 65 -7.480 3.443 -3.676 541 HA ILE 65 HA ILE 65 -6.585 5.185 -1.566 542 HB ILE 65 HB ILE 65 -5.099 2.815 -2.688 543 HG12 ILE 65 1HG1 ILE 65 -7.438 2.946 -0.807 544 HG13 ILE 65 2HG1 ILE 65 -7.177 1.867 -2.174 545 HG21 ILE 65 1HG2 ILE 65 -3.784 2.903 -0.842 546 HG22 ILE 65 2HG2 ILE 65 -4.212 4.610 -0.930 547 HG23 ILE 65 3HG2 ILE 65 -5.070 3.543 0.181 548 HD11 ILE 65 1HD1 ILE 65 -6.245 1.658 0.618 549 HD12 ILE 65 2HD1 ILE 65 -6.765 0.404 -0.508 550 HD13 ILE 65 3HD1 ILE 65 -5.146 1.089 -0.638 551 H LEU 66 H LEU 66 -4.924 3.890 -4.450 552 HA LEU 66 HA LEU 66 -2.673 5.396 -4.466 553 HB2 LEU 66 1HB LEU 66 -2.879 3.808 -6.161 554 HB3 LEU 66 2HB LEU 66 -4.419 4.463 -6.714 555 HG LEU 66 HG LEU 66 -3.161 6.465 -7.553 556 HD11 LEU 66 1HD1 LEU 66 -0.686 5.955 -7.970 557 HD12 LEU 66 2HD1 LEU 66 -0.848 4.772 -6.672 558 HD13 LEU 66 3HD1 LEU 66 -1.160 6.478 -6.353 559 HD21 LEU 66 1HD2 LEU 66 -3.736 4.172 -8.784 560 HD22 LEU 66 2HD2 LEU 66 -1.978 4.120 -8.923 561 HD23 LEU 66 3HD2 LEU 66 -2.875 5.489 -9.581 562 HA PRO 67 HA PRO 67 -4.968 9.040 -6.694 563 HB2 PRO 67 1HB PRO 67 -7.680 9.027 -6.553 564 HB3 PRO 67 2HB PRO 67 -6.782 8.265 -7.871 565 HG2 PRO 67 1HG PRO 67 -7.996 7.016 -5.436 566 HG3 PRO 67 2HG PRO 67 -8.015 6.444 -7.115 567 HD2 PRO 67 1HD PRO 67 -6.318 5.447 -5.256 568 HD3 PRO 67 2HD PRO 67 -5.888 5.569 -6.974 569 H ASP 68 H ASP 68 -5.937 7.640 -3.692 570 HA ASP 68 HA ASP 68 -6.869 10.146 -2.566 571 HB2 ASP 68 1HB ASP 68 -6.753 7.312 -1.668 572 HB3 ASP 68 2HB ASP 68 -6.745 8.556 -0.421 573 H MET 69 H MET 69 -4.026 8.085 -2.450 574 HA MET 69 HA MET 69 -2.744 9.495 -0.327 575 HB2 MET 69 1HB MET 69 -0.686 8.271 -1.200 576 HB3 MET 69 2HB MET 69 -2.025 7.272 -0.652 577 HG2 MET 69 1HG MET 69 -2.696 6.815 -2.895 578 HG3 MET 69 2HG MET 69 -1.542 7.985 -3.531 579 HE1 MET 69 1HE MET 69 -2.058 4.348 -2.129 580 HE2 MET 69 2HE MET 69 -0.424 3.951 -1.600 581 HE3 MET 69 3HE MET 69 -1.333 5.220 -0.778 582 H LEU 70 H LEU 70 -2.509 9.590 -3.861 583 HA LEU 70 HA LEU 70 -0.395 11.437 -4.024 584 HB2 LEU 70 1HB LEU 70 -2.475 10.398 -5.844 585 HB3 LEU 70 2HB LEU 70 -1.759 11.946 -6.286 586 HG LEU 70 HG LEU 70 0.493 10.615 -5.913 587 HD11 LEU 70 1HD1 LEU 70 0.258 8.291 -6.693 588 HD12 LEU 70 2HD1 LEU 70 -1.495 8.455 -6.598 589 HD13 LEU 70 3HD1 LEU 70 -0.519 8.564 -5.133 590 HD21 LEU 70 1HD2 LEU 70 0.526 11.265 -8.040 591 HD22 LEU 70 2HD2 LEU 70 -1.229 11.151 -8.175 592 HD23 LEU 70 3HD2 LEU 70 -0.229 9.722 -8.439 593 H GLN 71 H GLN 71 -3.911 11.893 -3.984 594 HA GLN 71 HA GLN 71 -5.208 13.712 -3.562 595 HB2 GLN 71 1HB GLN 71 -2.661 14.470 -2.164 596 HB3 GLN 71 2HB GLN 71 -4.014 15.591 -2.227 597 HG2 GLN 71 1HG GLN 71 -5.389 13.604 -1.306 598 HG3 GLN 71 2HG GLN 71 -3.817 12.947 -0.855 599 HE21 GLN 71 1HE2 GLN 71 -5.572 13.432 1.106 600 HE22 GLN 71 2HE2 GLN 71 -5.102 14.815 2.029 601 H GLN 72 H GLN 72 -3.990 13.545 -6.095 602 HA GLN 72 HA GLN 72 -2.745 15.902 -6.954 603 HB2 GLN 72 1HB GLN 72 -4.348 13.783 -8.347 604 HB3 GLN 72 2HB GLN 72 -3.808 15.208 -9.224 605 HG2 GLN 72 1HG GLN 72 -2.049 13.228 -7.795 606 HG3 GLN 72 2HG GLN 72 -2.273 13.363 -9.539 607 HE21 GLN 72 1HE2 GLN 72 -1.730 15.527 -10.466 608 HE22 GLN 72 2HE2 GLN 72 -0.335 16.330 -9.839 609 H ARG 73 H ARG 73 -3.713 17.748 -6.189 610 HA ARG 73 HA ARG 73 -5.370 19.316 -5.833 611 HB2 ARG 73 1HB ARG 73 -6.139 20.283 -7.940 612 HB3 ARG 73 2HB ARG 73 -4.434 19.864 -8.033 613 HG2 ARG 73 1HG ARG 73 -4.810 18.099 -9.479 614 HG3 ARG 73 2HG ARG 73 -6.507 17.952 -9.018 615 HD2 ARG 73 1HD ARG 73 -5.406 20.360 -10.445 616 HD3 ARG 73 2HD ARG 73 -6.036 18.952 -11.299 617 HE ARG 73 HE ARG 73 -7.863 20.022 -9.361 618 HH11 ARG 73 2HH1 ARG 73 -6.696 20.284 -12.631 619 HH12 ARG 73 1HH1 ARG 73 -8.149 21.014 -13.230 620 HH21 ARG 73 2HH2 ARG 73 -9.781 20.983 -10.137 621 HH22 ARG 73 1HH2 ARG 73 -9.902 21.412 -11.810 622 H ARG 74 H ARG 74 -6.357 16.782 -5.170 623 HA ARG 74 HA ARG 74 -9.037 16.663 -6.337 624 HB2 ARG 74 1HB ARG 74 -7.448 14.628 -5.901 625 HB3 ARG 74 2HB ARG 74 -8.039 14.761 -4.250 626 HG2 ARG 74 1HG ARG 74 -9.427 13.177 -5.250 627 HG3 ARG 74 2HG ARG 74 -10.378 14.663 -5.259 628 HD2 ARG 74 1HD ARG 74 -9.307 14.979 -7.625 629 HD3 ARG 74 2HD ARG 74 -9.056 13.236 -7.524 630 HE ARG 74 HE ARG 74 -11.658 13.478 -6.897 631 HH11 ARG 74 2HH1 ARG 74 -9.746 14.764 -9.507 632 HH12 ARG 74 1HH1 ARG 74 -11.063 14.787 -10.634 633 HH21 ARG 74 2HH2 ARG 74 -13.399 13.503 -8.371 634 HH22 ARG 74 1HH2 ARG 74 -13.140 14.070 -9.986 635 H ASN 75 H ASN 75 -7.433 16.968 -3.187 636 HA ASN 75 HA ASN 75 -9.564 17.043 -1.481 637 HB2 ASN 75 1HB ASN 75 -7.360 19.074 -1.222 638 HB3 ASN 75 2HB ASN 75 -8.198 18.188 0.049 639 HD21 ASN 75 1HD2 ASN 75 -8.023 15.644 -0.586 640 HD22 ASN 75 2HD2 ASN 75 -6.381 15.127 -0.735 641 H ASP 76 H ASP 76 -11.444 18.004 -2.002 642 HA ASP 76 HA ASP 76 -11.367 20.872 -2.678 643 HB2 ASP 76 1HB ASP 76 -13.096 18.642 -3.660 644 HB3 ASP 76 2HB ASP 76 -13.786 20.259 -3.557 645 HA PRO 77 HA PRO 77 -13.521 21.670 1.074 646 HB2 PRO 77 1HB PRO 77 -14.674 24.039 0.419 647 HB3 PRO 77 2HB PRO 77 -12.947 23.873 0.759 648 HG2 PRO 77 1HG PRO 77 -14.354 23.998 -1.880 649 HG3 PRO 77 2HG PRO 77 -12.853 24.795 -1.373 650 HD2 PRO 77 1HD PRO 77 -12.871 22.543 -2.877 651 HD3 PRO 77 2HD PRO 77 -11.586 22.898 -1.705 652 H SER 78 H SER 78 -15.225 20.421 1.560 653 HA SER 78 HA SER 78 -17.593 20.462 -0.152 654 HB2 SER 78 1HB SER 78 -16.883 18.251 0.390 655 HB3 SER 78 2HB SER 78 -16.719 18.649 2.100 656 HG SER 78 HG SER 78 -19.081 18.330 0.582 657 H GLY 79 H GLY 79 -19.671 20.916 0.626 658 HA2 GLY 79 1HA GLY 79 -19.736 22.923 2.693 659 HA3 GLY 79 2HA GLY 79 -21.096 22.379 1.721 660 HA PRO 80 HA PRO 80 -20.759 20.285 6.076 661 HB2 PRO 80 1HB PRO 80 -21.720 22.190 7.755 662 HB3 PRO 80 2HB PRO 80 -19.996 21.983 7.424 663 HG2 PRO 80 1HG PRO 80 -21.926 23.952 6.257 664 HG3 PRO 80 2HG PRO 80 -20.262 24.211 6.812 665 HD2 PRO 80 1HD PRO 80 -20.897 23.924 4.195 666 HD3 PRO 80 2HD PRO 80 -19.350 23.371 4.869 667 H SER 81 H SER 81 -22.504 19.122 6.662 668 HA SER 81 HA SER 81 -25.171 20.224 6.072 669 HB2 SER 81 1HB SER 81 -24.072 17.489 5.434 670 HB3 SER 81 2HB SER 81 -25.806 17.795 5.536 671 HG SER 81 HG SER 81 -25.237 18.095 3.425 672 H SER 82 H SER 82 -26.900 19.407 7.369 673 HA SER 82 HA SER 82 -26.316 17.737 9.644 674 HB2 SER 82 1HB SER 82 -27.025 19.478 11.308 675 HB3 SER 82 2HB SER 82 -25.474 19.814 10.538 676 HG SER 82 HG SER 82 -26.905 21.071 8.992 677 H GLY 83 H GLY 83 -28.227 17.214 10.891 678 HA2 GLY 83 1HA GLY 83 -30.579 17.251 11.245 679 HA3 GLY 83 2HA GLY 83 -30.774 18.019 9.677 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.106 -35.395 3.711 2 HA2 GLY 1 1HA GLY 1 -0.388 -33.991 4.417 3 HA3 GLY 1 2HA GLY 1 1.136 -33.513 5.149 4 H SER 2 H SER 2 -0.962 -32.461 3.023 5 HA SER 2 HA SER 2 0.949 -30.847 1.628 6 HB2 SER 2 1HB SER 2 -0.450 -33.089 0.210 7 HB3 SER 2 2HB SER 2 -0.092 -31.597 -0.658 8 HG SER 2 HG SER 2 1.927 -32.161 -0.738 9 H SER 3 H SER 3 -0.191 -29.364 0.037 10 HA SER 3 HA SER 3 -2.667 -28.465 1.285 11 HB2 SER 3 1HB SER 3 -0.753 -26.887 0.853 12 HB3 SER 3 2HB SER 3 -1.058 -27.084 -0.873 13 HG SER 3 HG SER 3 -2.712 -25.913 1.093 14 H GLY 4 H GLY 4 -4.583 -28.078 0.152 15 HA2 GLY 4 1HA GLY 4 -4.721 -29.074 -2.608 16 HA3 GLY 4 2HA GLY 4 -5.774 -29.792 -1.397 17 H SER 5 H SER 5 -7.676 -28.843 -0.966 18 HA SER 5 HA SER 5 -8.540 -26.679 -2.617 19 HB2 SER 5 1HB SER 5 -10.691 -26.930 -1.458 20 HB3 SER 5 2HB SER 5 -10.062 -28.500 -1.957 21 HG SER 5 HG SER 5 -10.111 -27.362 0.630 22 H SER 6 H SER 6 -7.157 -24.956 -2.041 23 HA SER 6 HA SER 6 -6.667 -23.963 0.491 24 HB2 SER 6 1HB SER 6 -6.866 -22.597 -2.188 25 HB3 SER 6 2HB SER 6 -6.452 -21.704 -0.724 26 HG SER 6 HG SER 6 -4.514 -22.331 -1.387 27 H GLY 7 H GLY 7 -9.232 -22.907 -1.755 28 HA2 GLY 7 1HA GLY 7 -11.498 -22.683 -0.811 29 HA3 GLY 7 2HA GLY 7 -10.742 -21.973 0.608 30 H LYS 8 H LYS 8 -11.933 -21.422 -2.573 31 HA LYS 8 HA LYS 8 -10.837 -18.766 -2.818 32 HB2 LYS 8 1HB LYS 8 -13.008 -20.126 -4.426 33 HB3 LYS 8 2HB LYS 8 -12.197 -18.625 -4.853 34 HG2 LYS 8 1HG LYS 8 -10.177 -19.714 -5.312 35 HG3 LYS 8 2HG LYS 8 -10.679 -21.183 -4.472 36 HD2 LYS 8 1HD LYS 8 -12.514 -21.361 -6.237 37 HD3 LYS 8 2HD LYS 8 -11.614 -20.132 -7.130 38 HE2 LYS 8 1HE LYS 8 -9.787 -21.535 -7.459 39 HE3 LYS 8 2HE LYS 8 -10.250 -22.607 -6.138 40 HZ1 LYS 8 1HZ LYS 8 -10.830 -22.885 -8.845 41 HZ2 LYS 8 2HZ LYS 8 -12.298 -22.570 -8.066 42 HZ3 LYS 8 3HZ LYS 8 -11.341 -23.873 -7.569 43 H LYS 9 H LYS 9 -11.579 -17.687 -0.971 44 HA LYS 9 HA LYS 9 -14.417 -16.931 -1.096 45 HB2 LYS 9 1HB LYS 9 -12.828 -17.721 1.341 46 HB3 LYS 9 2HB LYS 9 -14.304 -16.772 1.452 47 HG2 LYS 9 1HG LYS 9 -14.390 -19.312 -0.083 48 HG3 LYS 9 2HG LYS 9 -14.317 -19.398 1.679 49 HD2 LYS 9 1HD LYS 9 -16.607 -19.388 1.197 50 HD3 LYS 9 2HD LYS 9 -16.253 -17.719 1.651 51 HE2 LYS 9 1HE LYS 9 -16.424 -16.956 -0.529 52 HE3 LYS 9 2HE LYS 9 -16.123 -18.550 -1.218 53 HZ1 LYS 9 1HZ LYS 9 -18.601 -17.332 -0.478 54 HZ2 LYS 9 2HZ LYS 9 -18.420 -18.863 0.218 55 HZ3 LYS 9 3HZ LYS 9 -18.315 -18.680 -1.460 56 H ARG 10 H ARG 10 -14.896 -14.806 -0.514 57 HA ARG 10 HA ARG 10 -12.670 -12.969 -0.777 58 HB2 ARG 10 1HB ARG 10 -14.910 -12.727 -1.966 59 HB3 ARG 10 2HB ARG 10 -15.575 -12.253 -0.409 60 HG2 ARG 10 1HG ARG 10 -14.060 -10.360 -0.310 61 HG3 ARG 10 2HG ARG 10 -13.328 -10.850 -1.839 62 HD2 ARG 10 1HD ARG 10 -14.902 -9.080 -2.256 63 HD3 ARG 10 2HD ARG 10 -15.536 -10.581 -2.928 64 HE ARG 10 HE ARG 10 -16.445 -9.946 -0.258 65 HH11 ARG 10 2HH1 ARG 10 -17.046 -9.693 -3.678 66 HH12 ARG 10 1HH1 ARG 10 -18.747 -9.421 -3.491 67 HH21 ARG 10 2HH2 ARG 10 -18.683 -9.589 0.001 68 HH22 ARG 10 1HH2 ARG 10 -19.677 -9.361 -1.398 69 H LYS 11 H LYS 11 -15.419 -13.255 1.482 70 HA LYS 11 HA LYS 11 -15.597 -12.847 3.714 71 HB2 LYS 11 1HB LYS 11 -13.356 -14.198 3.616 72 HB3 LYS 11 2HB LYS 11 -12.618 -12.642 3.972 73 HG2 LYS 11 1HG LYS 11 -12.895 -13.727 6.040 74 HG3 LYS 11 2HG LYS 11 -14.162 -12.500 5.961 75 HD2 LYS 11 1HD LYS 11 -15.723 -14.282 5.158 76 HD3 LYS 11 2HD LYS 11 -14.450 -15.462 5.475 77 HE2 LYS 11 1HE LYS 11 -15.982 -15.388 7.344 78 HE3 LYS 11 2HE LYS 11 -14.414 -14.748 7.834 79 HZ1 LYS 11 1HZ LYS 11 -15.317 -12.499 7.481 80 HZ2 LYS 11 2HZ LYS 11 -16.143 -13.350 8.686 81 HZ3 LYS 11 3HZ LYS 11 -16.835 -13.170 7.153 82 H GLY 12 H GLY 12 -15.786 -10.693 1.970 83 HA2 GLY 12 1HA GLY 12 -15.848 -8.399 1.991 84 HA3 GLY 12 2HA GLY 12 -15.543 -8.512 3.718 85 H ASN 13 H ASN 13 -14.490 -6.385 2.601 86 HA ASN 13 HA ASN 13 -12.010 -6.593 1.339 87 HB2 ASN 13 1HB ASN 13 -13.400 -4.500 1.651 88 HB3 ASN 13 2HB ASN 13 -12.777 -4.424 3.297 89 HD21 ASN 13 1HD2 ASN 13 -11.815 -4.475 -0.090 90 HD22 ASN 13 2HD2 ASN 13 -10.359 -3.568 0.123 91 H LEU 14 H LEU 14 -9.913 -5.798 2.401 92 HA LEU 14 HA LEU 14 -9.306 -7.622 4.554 93 HB2 LEU 14 1HB LEU 14 -7.401 -5.610 3.417 94 HB3 LEU 14 2HB LEU 14 -7.054 -7.189 4.117 95 HG LEU 14 HG LEU 14 -8.587 -6.984 1.554 96 HD11 LEU 14 1HD1 LEU 14 -5.684 -7.382 1.336 97 HD12 LEU 14 2HD1 LEU 14 -6.193 -5.744 1.745 98 HD13 LEU 14 3HD1 LEU 14 -6.798 -6.515 0.279 99 HD21 LEU 14 1HD2 LEU 14 -7.605 -9.065 3.202 100 HD22 LEU 14 2HD2 LEU 14 -6.681 -9.093 1.699 101 HD23 LEU 14 3HD2 LEU 14 -8.442 -9.194 1.654 102 HA PRO 15 HA PRO 15 -9.550 -4.821 7.928 103 HB2 PRO 15 1HB PRO 15 -7.600 -5.803 9.542 104 HB3 PRO 15 2HB PRO 15 -9.144 -6.626 9.291 105 HG2 PRO 15 1HG PRO 15 -6.486 -7.155 8.019 106 HG3 PRO 15 2HG PRO 15 -7.676 -8.311 8.645 107 HD2 PRO 15 1HD PRO 15 -7.432 -7.757 6.005 108 HD3 PRO 15 2HD PRO 15 -8.986 -8.179 6.753 109 H ALA 16 H ALA 16 -8.810 -2.824 8.309 110 HA ALA 16 HA ALA 16 -6.990 -1.432 6.954 111 HB1 ALA 16 1HB ALA 16 -8.322 -1.070 9.413 112 HB2 ALA 16 2HB ALA 16 -6.638 -0.610 9.665 113 HB3 ALA 16 3HB ALA 16 -7.579 0.156 8.385 114 H GLU 17 H GLU 17 -6.075 -2.771 10.136 115 HA GLU 17 HA GLU 17 -3.441 -2.339 10.221 116 HB2 GLU 17 1HB GLU 17 -4.892 -3.757 11.797 117 HB3 GLU 17 2HB GLU 17 -4.457 -5.118 10.773 118 HG2 GLU 17 1HG GLU 17 -2.435 -3.345 12.112 119 HG3 GLU 17 2HG GLU 17 -3.068 -4.823 12.834 120 H SER 18 H SER 18 -4.782 -5.227 8.610 121 HA SER 18 HA SER 18 -2.373 -6.117 7.504 122 HB2 SER 18 1HB SER 18 -5.229 -6.521 6.599 123 HB3 SER 18 2HB SER 18 -3.854 -7.361 5.882 124 HG SER 18 HG SER 18 -4.969 -8.502 7.616 125 H VAL 19 H VAL 19 -4.899 -4.037 6.129 126 HA VAL 19 HA VAL 19 -3.899 -3.728 3.566 127 HB VAL 19 HB VAL 19 -5.263 -1.604 5.229 128 HG11 VAL 19 1HG1 VAL 19 -4.281 -1.648 2.504 129 HG12 VAL 19 2HG1 VAL 19 -6.015 -1.328 2.576 130 HG13 VAL 19 3HG1 VAL 19 -4.889 -0.299 3.462 131 HG21 VAL 19 1HG2 VAL 19 -6.373 -3.922 4.912 132 HG22 VAL 19 2HG2 VAL 19 -7.319 -2.469 4.588 133 HG23 VAL 19 3HG2 VAL 19 -6.628 -3.388 3.251 134 H LYS 20 H LYS 20 -3.220 -1.714 6.425 135 HA LYS 20 HA LYS 20 -1.617 0.220 5.494 136 HB2 LYS 20 1HB LYS 20 -1.945 0.103 7.832 137 HB3 LYS 20 2HB LYS 20 -1.246 -1.508 7.932 138 HG2 LYS 20 1HG LYS 20 0.482 0.708 6.971 139 HG3 LYS 20 2HG LYS 20 0.086 0.636 8.689 140 HD2 LYS 20 1HD LYS 20 0.857 -1.758 8.659 141 HD3 LYS 20 2HD LYS 20 1.453 -1.471 7.023 142 HE2 LYS 20 1HE LYS 20 3.289 -1.183 8.511 143 HE3 LYS 20 2HE LYS 20 2.813 0.418 7.947 144 HZ1 LYS 20 1HZ LYS 20 2.395 -0.802 10.601 145 HZ2 LYS 20 2HZ LYS 20 1.421 0.477 10.078 146 HZ3 LYS 20 3HZ LYS 20 3.093 0.690 10.217 147 H ILE 21 H ILE 21 -0.754 -3.176 5.710 148 HA ILE 21 HA ILE 21 2.001 -2.861 5.112 149 HB ILE 21 HB ILE 21 0.147 -5.223 4.865 150 HG12 ILE 21 1HG1 ILE 21 1.960 -5.935 6.694 151 HG13 ILE 21 2HG1 ILE 21 2.072 -4.189 6.888 152 HG21 ILE 21 1HG2 ILE 21 3.133 -5.202 4.448 153 HG22 ILE 21 2HG2 ILE 21 2.076 -6.612 4.413 154 HG23 ILE 21 3HG2 ILE 21 1.929 -5.370 3.170 155 HD11 ILE 21 1HD1 ILE 21 -0.425 -5.847 7.152 156 HD12 ILE 21 2HD1 ILE 21 0.507 -5.135 8.470 157 HD13 ILE 21 3HD1 ILE 21 -0.333 -4.094 7.320 158 H LEU 22 H LEU 22 -0.846 -3.560 3.119 159 HA LEU 22 HA LEU 22 0.649 -3.753 0.686 160 HB2 LEU 22 1HB LEU 22 -2.306 -3.333 1.113 161 HB3 LEU 22 2HB LEU 22 -1.537 -3.784 -0.407 162 HG LEU 22 HG LEU 22 -1.564 -5.483 2.087 163 HD11 LEU 22 1HD1 LEU 22 -3.604 -5.019 0.176 164 HD12 LEU 22 2HD1 LEU 22 -3.580 -6.185 1.499 165 HD13 LEU 22 3HD1 LEU 22 -2.969 -6.642 -0.091 166 HD21 LEU 22 1HD2 LEU 22 0.338 -6.085 0.865 167 HD22 LEU 22 2HD2 LEU 22 -0.477 -5.871 -0.684 168 HD23 LEU 22 3HD2 LEU 22 -0.894 -7.237 0.351 169 H ARG 23 H ARG 23 -1.417 -1.269 2.155 170 HA ARG 23 HA ARG 23 -1.336 0.603 0.095 171 HB2 ARG 23 1HB ARG 23 -1.712 0.803 3.061 172 HB3 ARG 23 2HB ARG 23 -1.572 2.270 2.101 173 HG2 ARG 23 1HG ARG 23 -3.468 1.511 0.719 174 HG3 ARG 23 2HG ARG 23 -3.632 0.101 1.767 175 HD2 ARG 23 1HD ARG 23 -4.096 2.993 2.418 176 HD3 ARG 23 2HD ARG 23 -5.208 1.634 2.578 177 HE ARG 23 HE ARG 23 -4.201 1.066 4.587 178 HH11 ARG 23 2HH1 ARG 23 -2.469 3.651 3.026 179 HH12 ARG 23 1HH1 ARG 23 -1.528 4.042 4.427 180 HH21 ARG 23 2HH2 ARG 23 -2.967 1.570 6.438 181 HH22 ARG 23 1HH2 ARG 23 -1.811 2.857 6.367 182 H ASP 24 H ASP 24 0.719 0.482 3.009 183 HA ASP 24 HA ASP 24 2.400 2.572 2.539 184 HB2 ASP 24 1HB ASP 24 2.387 0.809 4.454 185 HB3 ASP 24 2HB ASP 24 3.552 -0.048 3.449 186 H TRP 25 H TRP 25 2.521 -0.617 1.041 187 HA TRP 25 HA TRP 25 4.959 -0.098 -0.378 188 HB2 TRP 25 1HB TRP 25 4.347 -2.384 0.196 189 HB3 TRP 25 2HB TRP 25 2.865 -2.251 -0.746 190 HD1 TRP 25 HD TRP 25 6.489 -3.143 -1.054 191 HE1 TRP 25 1HE TRP 25 7.037 -3.733 -3.499 192 HE3 TRP 25 3HE TRP 25 2.173 -1.526 -3.266 193 HZ2 TRP 25 2HZ TRP 25 5.803 -3.537 -6.030 194 HZ3 TRP 25 3HZ TRP 25 1.937 -1.763 -5.704 195 HH2 TRP 25 HH TRP 25 3.715 -2.748 -7.055 196 H MET 26 H MET 26 1.513 -0.131 -1.216 197 HA MET 26 HA MET 26 1.681 0.284 -3.942 198 HB2 MET 26 1HB MET 26 -0.446 -0.146 -2.929 199 HB3 MET 26 2HB MET 26 -0.335 1.305 -1.941 200 HG2 MET 26 1HG MET 26 -0.194 2.469 -4.309 201 HG3 MET 26 2HG MET 26 -1.040 1.004 -4.803 202 HE1 MET 26 1HE MET 26 -4.568 1.692 -4.044 203 HE2 MET 26 2HE MET 26 -3.386 1.431 -5.327 204 HE3 MET 26 3HE MET 26 -3.463 0.320 -3.958 205 H TYR 27 H TYR 27 2.220 2.529 -1.328 206 HA TYR 27 HA TYR 27 2.069 4.916 -2.850 207 HB2 TYR 27 1HB TYR 27 2.032 4.608 -0.281 208 HB3 TYR 27 2HB TYR 27 3.788 4.603 -0.402 209 HD1 TYR 27 1HD TYR 27 4.742 6.630 -1.882 210 HD2 TYR 27 2HD TYR 27 1.017 6.624 0.174 211 HE1 TYR 27 1HE TYR 27 4.754 9.089 -1.865 212 HE2 TYR 27 2HE TYR 27 1.018 9.083 0.195 213 HH TYR 27 HH TYR 27 2.262 10.927 -0.169 214 H LYS 28 H LYS 28 4.904 3.145 -1.601 215 HA LYS 28 HA LYS 28 6.868 4.627 -2.880 216 HB2 LYS 28 1HB LYS 28 6.959 1.655 -2.336 217 HB3 LYS 28 2HB LYS 28 8.339 2.727 -2.540 218 HG2 LYS 28 1HG LYS 28 7.950 3.793 -0.482 219 HG3 LYS 28 2HG LYS 28 6.327 3.112 -0.346 220 HD2 LYS 28 1HD LYS 28 7.093 1.074 0.350 221 HD3 LYS 28 2HD LYS 28 8.616 1.225 -0.530 222 HE2 LYS 28 1HE LYS 28 7.980 2.935 1.856 223 HE3 LYS 28 2HE LYS 28 8.704 1.336 2.023 224 HZ1 LYS 28 1HZ LYS 28 10.268 3.307 1.928 225 HZ2 LYS 28 2HZ LYS 28 9.892 3.411 0.283 226 HZ3 LYS 28 3HZ LYS 28 10.620 2.013 0.897 227 H HIS 29 H HIS 29 5.233 1.679 -4.016 228 HA HIS 29 HA HIS 29 6.493 1.939 -6.626 229 HB2 HIS 29 1HB HIS 29 4.463 -0.114 -5.736 230 HB3 HIS 29 2HB HIS 29 5.533 -0.207 -7.132 231 HD1 HIS 29 1HD HIS 29 7.484 -1.662 -6.760 232 HD2 HIS 29 2HD HIS 29 6.153 0.054 -3.218 233 HE1 HIS 29 1HE HIS 29 8.975 -2.592 -4.960 234 HE2 HIS 29 2HE HIS 29 8.096 -1.606 -2.816 235 H ARG 30 H ARG 30 4.021 3.452 -5.213 236 HA ARG 30 HA ARG 30 1.731 3.254 -6.628 237 HB2 ARG 30 1HB ARG 30 1.290 5.547 -6.164 238 HB3 ARG 30 2HB ARG 30 2.270 4.942 -4.835 239 HG2 ARG 30 1HG ARG 30 4.270 5.909 -6.040 240 HG3 ARG 30 2HG ARG 30 3.117 6.722 -7.099 241 HD2 ARG 30 1HD ARG 30 2.115 7.832 -5.173 242 HD3 ARG 30 2HD ARG 30 3.234 6.994 -4.098 243 HE ARG 30 HE ARG 30 4.897 8.275 -5.777 244 HH11 ARG 30 2HH1 ARG 30 2.139 9.339 -3.939 245 HH12 ARG 30 1HH1 ARG 30 2.732 10.955 -3.740 246 HH21 ARG 30 2HH2 ARG 30 5.688 10.399 -5.523 247 HH22 ARG 30 1HH2 ARG 30 4.750 11.557 -4.642 248 H PHE 31 H PHE 31 4.763 4.577 -7.788 249 HA PHE 31 HA PHE 31 4.169 5.988 -9.994 250 HB2 PHE 31 1HB PHE 31 6.229 3.790 -9.759 251 HB3 PHE 31 2HB PHE 31 6.167 4.927 -11.101 252 HD1 PHE 31 1HD PHE 31 5.596 7.458 -9.823 253 HD2 PHE 31 2HD PHE 31 8.117 4.280 -8.535 254 HE1 PHE 31 1HE PHE 31 6.947 9.058 -8.531 255 HE2 PHE 31 2HE PHE 31 9.472 5.875 -7.241 256 HZ PHE 31 HZ PHE 31 8.887 8.267 -7.236 257 H LYS 32 H LYS 32 4.142 2.438 -9.851 258 HA LYS 32 HA LYS 32 2.630 2.422 -12.378 259 HB2 LYS 32 1HB LYS 32 3.489 0.256 -12.836 260 HB3 LYS 32 2HB LYS 32 4.859 1.227 -12.311 261 HG2 LYS 32 1HG LYS 32 3.414 -0.342 -10.251 262 HG3 LYS 32 2HG LYS 32 4.428 -1.218 -11.400 263 HD2 LYS 32 1HD LYS 32 5.559 1.203 -10.092 264 HD3 LYS 32 2HD LYS 32 5.396 -0.265 -9.125 265 HE2 LYS 32 1HE LYS 32 6.900 0.044 -11.720 266 HE3 LYS 32 2HE LYS 32 7.593 -0.199 -10.117 267 HZ1 LYS 32 1HZ LYS 32 5.973 -2.311 -10.309 268 HZ2 LYS 32 2HZ LYS 32 7.605 -2.337 -10.751 269 HZ3 LYS 32 3HZ LYS 32 6.413 -2.123 -11.932 270 H ALA 33 H ALA 33 2.493 1.767 -9.037 271 HA ALA 33 HA ALA 33 0.945 0.792 -7.672 272 HB1 ALA 33 1HB ALA 33 -0.313 2.648 -8.999 273 HB2 ALA 33 2HB ALA 33 -1.136 1.283 -9.756 274 HB3 ALA 33 3HB ALA 33 -1.220 1.505 -8.008 275 H TYR 34 H TYR 34 2.310 -1.148 -8.893 276 HA TYR 34 HA TYR 34 0.409 -3.291 -9.006 277 HB2 TYR 34 1HB TYR 34 1.922 -2.512 -11.502 278 HB3 TYR 34 2HB TYR 34 1.182 -4.092 -11.272 279 HD1 TYR 34 1HD TYR 34 -1.392 -3.833 -10.367 280 HD2 TYR 34 2HD TYR 34 0.715 -1.054 -12.805 281 HE1 TYR 34 1HE TYR 34 -3.531 -2.956 -11.207 282 HE2 TYR 34 2HE TYR 34 -1.418 -0.170 -13.651 283 HH TYR 34 HH TYR 34 -4.442 -1.729 -12.998 284 HA PRO 35 HA PRO 35 4.264 -4.737 -7.166 285 HB2 PRO 35 1HB PRO 35 3.115 -6.836 -5.883 286 HB3 PRO 35 2HB PRO 35 3.058 -5.182 -5.261 287 HG2 PRO 35 1HG PRO 35 0.977 -6.708 -6.778 288 HG3 PRO 35 2HG PRO 35 0.784 -5.655 -5.365 289 HD2 PRO 35 1HD PRO 35 0.230 -4.829 -7.884 290 HD3 PRO 35 2HD PRO 35 0.847 -3.731 -6.633 291 H SER 36 H SER 36 5.313 -6.935 -7.124 292 HA SER 36 HA SER 36 4.733 -8.338 -9.646 293 HB2 SER 36 1HB SER 36 7.311 -7.977 -8.112 294 HB3 SER 36 2HB SER 36 7.140 -9.117 -9.446 295 HG SER 36 HG SER 36 6.631 -6.329 -9.613 296 H GLU 37 H GLU 37 4.873 -10.621 -9.714 297 HA GLU 37 HA GLU 37 3.525 -12.084 -7.927 298 HB2 GLU 37 1HB GLU 37 5.945 -12.980 -9.496 299 HB3 GLU 37 2HB GLU 37 4.866 -14.084 -8.656 300 HG2 GLU 37 1HG GLU 37 4.049 -14.155 -10.799 301 HG3 GLU 37 2HG GLU 37 3.011 -12.939 -10.056 302 H GLU 38 H GLU 38 6.831 -11.031 -7.560 303 HA GLU 38 HA GLU 38 7.415 -12.714 -5.317 304 HB2 GLU 38 1HB GLU 38 8.774 -10.432 -6.684 305 HB3 GLU 38 2HB GLU 38 9.300 -10.881 -5.068 306 HG2 GLU 38 1HG GLU 38 9.374 -12.520 -7.575 307 HG3 GLU 38 2HG GLU 38 10.713 -12.035 -6.536 308 H GLU 39 H GLU 39 6.624 -9.269 -5.706 309 HA GLU 39 HA GLU 39 6.733 -8.540 -3.019 310 HB2 GLU 39 1HB GLU 39 4.994 -7.461 -5.242 311 HB3 GLU 39 2HB GLU 39 5.178 -6.693 -3.671 312 HG2 GLU 39 1HG GLU 39 7.265 -7.079 -5.794 313 HG3 GLU 39 2HG GLU 39 6.615 -5.565 -5.167 314 H LYS 40 H LYS 40 3.793 -9.278 -4.904 315 HA LYS 40 HA LYS 40 1.914 -9.243 -2.942 316 HB2 LYS 40 1HB LYS 40 1.777 -11.568 -4.790 317 HB3 LYS 40 2HB LYS 40 0.541 -10.386 -4.377 318 HG2 LYS 40 1HG LYS 40 2.004 -8.732 -5.715 319 HG3 LYS 40 2HG LYS 40 2.745 -10.187 -6.386 320 HD2 LYS 40 1HD LYS 40 0.419 -10.961 -6.974 321 HD3 LYS 40 2HD LYS 40 -0.145 -9.347 -6.532 322 HE2 LYS 40 1HE LYS 40 1.155 -8.339 -8.253 323 HE3 LYS 40 2HE LYS 40 2.013 -9.845 -8.573 324 HZ1 LYS 40 1HZ LYS 40 0.443 -9.705 -10.261 325 HZ2 LYS 40 2HZ LYS 40 -0.777 -9.141 -9.235 326 HZ3 LYS 40 3HZ LYS 40 -0.282 -10.757 -9.151 327 H GLN 41 H GLN 41 3.737 -12.167 -3.873 328 HA GLN 41 HA GLN 41 2.789 -13.858 -1.897 329 HB2 GLN 41 1HB GLN 41 4.398 -14.277 -3.924 330 HB3 GLN 41 2HB GLN 41 5.661 -13.998 -2.732 331 HG2 GLN 41 1HG GLN 41 4.949 -16.402 -3.161 332 HG3 GLN 41 2HG GLN 41 5.068 -15.872 -1.484 333 HE21 GLN 41 1HE2 GLN 41 3.157 -15.491 -0.311 334 HE22 GLN 41 2HE2 GLN 41 1.654 -16.191 -0.792 335 H MET 42 H MET 42 5.389 -11.485 -1.752 336 HA MET 42 HA MET 42 6.380 -12.238 0.790 337 HB2 MET 42 1HB MET 42 7.829 -10.929 -0.520 338 HB3 MET 42 2HB MET 42 6.584 -9.736 -0.864 339 HG2 MET 42 1HG MET 42 7.416 -10.113 1.959 340 HG3 MET 42 2HG MET 42 8.519 -9.281 0.865 341 HE1 MET 42 1HE MET 42 6.047 -7.104 -0.893 342 HE2 MET 42 2HE MET 42 7.288 -6.175 -0.054 343 HE3 MET 42 3HE MET 42 7.699 -7.716 -0.807 344 H LEU 43 H LEU 43 4.211 -9.587 -0.197 345 HA LEU 43 HA LEU 43 3.676 -8.617 2.372 346 HB2 LEU 43 1HB LEU 43 1.742 -8.591 0.068 347 HB3 LEU 43 2HB LEU 43 1.834 -7.453 1.410 348 HG LEU 43 HG LEU 43 4.170 -7.685 -0.426 349 HD11 LEU 43 1HD1 LEU 43 1.482 -6.830 -1.213 350 HD12 LEU 43 2HD1 LEU 43 2.867 -7.287 -2.203 351 HD13 LEU 43 3HD1 LEU 43 2.753 -5.654 -1.548 352 HD21 LEU 43 1HD2 LEU 43 3.039 -5.773 1.511 353 HD22 LEU 43 2HD2 LEU 43 3.772 -5.069 0.070 354 HD23 LEU 43 3HD2 LEU 43 4.719 -6.130 1.113 355 H SER 44 H SER 44 2.018 -11.080 0.442 356 HA SER 44 HA SER 44 -0.210 -11.554 1.968 357 HB2 SER 44 1HB SER 44 -0.216 -12.872 0.089 358 HB3 SER 44 2HB SER 44 1.500 -13.257 0.224 359 HG SER 44 HG SER 44 -0.596 -14.311 1.824 360 H GLU 45 H GLU 45 3.097 -12.292 2.714 361 HA GLU 45 HA GLU 45 2.576 -14.186 4.779 362 HB2 GLU 45 1HB GLU 45 4.994 -12.501 4.129 363 HB3 GLU 45 2HB GLU 45 4.961 -13.664 5.447 364 HG2 GLU 45 1HG GLU 45 4.227 -14.544 2.696 365 HG3 GLU 45 2HG GLU 45 5.924 -14.325 3.121 366 H LYS 46 H LYS 46 2.962 -10.696 4.660 367 HA LYS 46 HA LYS 46 2.897 -10.426 7.540 368 HB2 LYS 46 1HB LYS 46 2.989 -8.470 5.254 369 HB3 LYS 46 2HB LYS 46 2.731 -7.936 6.909 370 HG2 LYS 46 1HG LYS 46 5.003 -7.700 6.686 371 HG3 LYS 46 2HG LYS 46 4.882 -9.306 7.408 372 HD2 LYS 46 1HD LYS 46 5.486 -10.372 5.468 373 HD3 LYS 46 2HD LYS 46 4.873 -9.075 4.438 374 HE2 LYS 46 1HE LYS 46 7.289 -8.765 6.207 375 HE3 LYS 46 2HE LYS 46 7.389 -9.332 4.540 376 HZ1 LYS 46 1HZ LYS 46 7.758 -6.902 4.850 377 HZ2 LYS 46 2HZ LYS 46 6.138 -6.757 5.314 378 HZ3 LYS 46 3HZ LYS 46 6.527 -7.284 3.755 379 H THR 47 H THR 47 0.702 -10.034 4.824 380 HA THR 47 HA THR 47 -1.429 -9.086 6.575 381 HB THR 47 HB THR 47 -2.755 -8.816 4.536 382 HG1 THR 47 1HG THR 47 -0.471 -9.954 3.264 383 HG21 THR 47 1HG2 THR 47 0.047 -7.707 4.340 384 HG22 THR 47 2HG2 THR 47 -1.332 -6.965 5.152 385 HG23 THR 47 3HG2 THR 47 -1.327 -7.132 3.396 386 H ASN 48 H ASN 48 -0.250 -12.006 5.297 387 HA ASN 48 HA ASN 48 -0.993 -14.154 5.353 388 HB2 ASN 48 1HB ASN 48 -3.156 -13.223 7.239 389 HB3 ASN 48 2HB ASN 48 -2.398 -14.810 7.153 390 HD21 ASN 48 1HD2 ASN 48 -0.204 -15.012 7.842 391 HD22 ASN 48 2HD2 ASN 48 0.443 -13.916 9.011 392 H LEU 49 H LEU 49 -2.060 -12.332 3.372 393 HA LEU 49 HA LEU 49 -4.794 -13.313 2.988 394 HB2 LEU 49 1HB LEU 49 -3.335 -11.287 1.311 395 HB3 LEU 49 2HB LEU 49 -5.070 -11.591 1.375 396 HG LEU 49 HG LEU 49 -3.515 -10.502 3.712 397 HD11 LEU 49 1HD1 LEU 49 -4.822 -8.356 2.870 398 HD12 LEU 49 2HD1 LEU 49 -4.591 -9.139 1.307 399 HD13 LEU 49 3HD1 LEU 49 -3.195 -8.741 2.309 400 HD21 LEU 49 1HD2 LEU 49 -5.808 -9.692 4.334 401 HD22 LEU 49 2HD2 LEU 49 -5.595 -11.442 4.375 402 HD23 LEU 49 3HD2 LEU 49 -6.440 -10.688 3.022 403 H SER 50 H SER 50 -5.165 -13.398 0.371 404 HA SER 50 HA SER 50 -3.298 -15.485 -0.531 405 HB2 SER 50 1HB SER 50 -6.234 -15.047 -0.944 406 HB3 SER 50 2HB SER 50 -5.318 -15.965 -2.139 407 HG SER 50 HG SER 50 -5.655 -17.562 -0.812 408 H LEU 51 H LEU 51 -2.248 -15.307 -2.437 409 HA LEU 51 HA LEU 51 -1.551 -12.987 -3.592 410 HB2 LEU 51 1HB LEU 51 -2.020 -15.606 -5.004 411 HB3 LEU 51 2HB LEU 51 -1.151 -14.244 -5.707 412 HG LEU 51 HG LEU 51 -0.317 -15.898 -3.327 413 HD11 LEU 51 1HD1 LEU 51 0.091 -16.193 -6.110 414 HD12 LEU 51 2HD1 LEU 51 0.795 -17.130 -4.792 415 HD13 LEU 51 3HD1 LEU 51 1.625 -15.696 -5.395 416 HD21 LEU 51 1HD2 LEU 51 1.822 -14.361 -3.894 417 HD22 LEU 51 2HD2 LEU 51 0.630 -13.965 -2.656 418 HD23 LEU 51 3HD2 LEU 51 0.519 -13.229 -4.256 419 H LEU 52 H LEU 52 -4.508 -14.767 -4.250 420 HA LEU 52 HA LEU 52 -5.353 -13.242 -6.476 421 HB2 LEU 52 1HB LEU 52 -6.398 -15.312 -6.207 422 HB3 LEU 52 2HB LEU 52 -6.752 -15.013 -4.506 423 HG LEU 52 HG LEU 52 -8.393 -13.255 -5.284 424 HD11 LEU 52 1HD1 LEU 52 -7.630 -12.857 -7.507 425 HD12 LEU 52 2HD1 LEU 52 -9.232 -13.585 -7.613 426 HD13 LEU 52 3HD1 LEU 52 -7.798 -14.561 -7.932 427 HD21 LEU 52 1HD2 LEU 52 -9.195 -15.353 -4.469 428 HD22 LEU 52 2HD2 LEU 52 -8.807 -16.155 -5.991 429 HD23 LEU 52 3HD2 LEU 52 -10.101 -14.958 -5.929 430 H GLN 53 H GLN 53 -6.163 -13.041 -3.019 431 HA GLN 53 HA GLN 53 -7.892 -10.825 -3.249 432 HB2 GLN 53 1HB GLN 53 -6.349 -12.017 -0.960 433 HB3 GLN 53 2HB GLN 53 -7.296 -10.549 -0.751 434 HG2 GLN 53 1HG GLN 53 -9.298 -11.633 -1.028 435 HG3 GLN 53 2HG GLN 53 -8.582 -12.943 -1.965 436 HE21 GLN 53 1HE2 GLN 53 -8.924 -11.597 1.257 437 HE22 GLN 53 2HE2 GLN 53 -8.633 -13.071 2.109 438 H ILE 54 H ILE 54 -4.418 -11.099 -2.766 439 HA ILE 54 HA ILE 54 -3.815 -8.486 -2.040 440 HB ILE 54 HB ILE 54 -2.186 -10.351 -3.769 441 HG12 ILE 54 1HG1 ILE 54 -2.715 -11.313 -1.590 442 HG13 ILE 54 2HG1 ILE 54 -1.013 -10.870 -1.656 443 HG21 ILE 54 1HG2 ILE 54 -0.596 -8.803 -3.897 444 HG22 ILE 54 2HG2 ILE 54 -1.764 -7.645 -3.263 445 HG23 ILE 54 3HG2 ILE 54 -0.678 -8.492 -2.163 446 HD11 ILE 54 1HD1 ILE 54 -1.509 -10.031 0.380 447 HD12 ILE 54 2HD1 ILE 54 -1.975 -8.632 -0.588 448 HD13 ILE 54 3HD1 ILE 54 -3.205 -9.761 -0.019 449 H SER 55 H SER 55 -3.381 -9.791 -5.332 450 HA SER 55 HA SER 55 -3.079 -7.347 -6.611 451 HB2 SER 55 1HB SER 55 -2.682 -9.699 -7.544 452 HB3 SER 55 2HB SER 55 -4.407 -9.726 -7.909 453 HG SER 55 HG SER 55 -2.703 -8.866 -9.518 454 H ASN 56 H ASN 56 -6.031 -9.226 -6.042 455 HA ASN 56 HA ASN 56 -7.843 -7.706 -7.473 456 HB2 ASN 56 1HB ASN 56 -8.029 -9.447 -5.061 457 HB3 ASN 56 2HB ASN 56 -9.412 -8.426 -5.443 458 HD21 ASN 56 1HD2 ASN 56 -9.949 -10.968 -5.495 459 HD22 ASN 56 2HD2 ASN 56 -10.044 -11.596 -7.102 460 H TRP 57 H TRP 57 -6.893 -7.306 -4.064 461 HA TRP 57 HA TRP 57 -8.467 -5.098 -3.468 462 HB2 TRP 57 1HB TRP 57 -7.374 -6.180 -1.668 463 HB3 TRP 57 2HB TRP 57 -5.789 -5.995 -2.415 464 HD1 TRP 57 HD TRP 57 -8.419 -4.020 -0.448 465 HE1 TRP 57 1HE TRP 57 -7.311 -1.899 0.499 466 HE3 TRP 57 3HE TRP 57 -3.887 -4.358 -2.789 467 HZ2 TRP 57 2HZ TRP 57 -4.843 -0.548 0.282 468 HZ3 TRP 57 3HZ TRP 57 -2.208 -2.610 -2.366 469 HH2 TRP 57 HH TRP 57 -2.678 -0.745 -0.862 470 H PHE 58 H PHE 58 -5.342 -5.277 -5.073 471 HA PHE 58 HA PHE 58 -4.734 -2.529 -5.039 472 HB2 PHE 58 1HB PHE 58 -3.827 -4.889 -6.611 473 HB3 PHE 58 2HB PHE 58 -3.460 -3.293 -7.257 474 HD1 PHE 58 2HD PHE 58 -2.140 -1.688 -5.856 475 HD2 PHE 58 1HD PHE 58 -2.604 -5.792 -4.824 476 HE1 PHE 58 2HE PHE 58 -0.199 -1.526 -4.353 477 HE2 PHE 58 1HE PHE 58 -0.664 -5.635 -3.318 478 HZ PHE 58 HZ PHE 58 0.542 -3.501 -3.082 479 H ILE 59 H ILE 59 -7.026 -4.331 -6.830 480 HA ILE 59 HA ILE 59 -7.212 -2.629 -9.107 481 HB ILE 59 HB ILE 59 -9.256 -4.536 -7.961 482 HG12 ILE 59 1HG1 ILE 59 -7.339 -4.923 -10.268 483 HG13 ILE 59 2HG1 ILE 59 -7.064 -5.541 -8.643 484 HG21 ILE 59 1HG2 ILE 59 -9.116 -3.252 -10.686 485 HG22 ILE 59 2HG2 ILE 59 -10.299 -4.452 -10.166 486 HG23 ILE 59 3HG2 ILE 59 -10.272 -2.857 -9.415 487 HD11 ILE 59 1HD1 ILE 59 -9.312 -6.298 -10.492 488 HD12 ILE 59 2HD1 ILE 59 -7.919 -7.288 -10.056 489 HD13 ILE 59 3HD1 ILE 59 -9.122 -6.874 -8.836 490 H ASN 60 H ASN 60 -9.522 -3.103 -6.425 491 HA ASN 60 HA ASN 60 -10.932 -0.699 -7.007 492 HB2 ASN 60 1HB ASN 60 -11.049 -2.067 -4.337 493 HB3 ASN 60 2HB ASN 60 -12.336 -1.256 -5.223 494 HD21 ASN 60 1HD2 ASN 60 -10.584 -4.183 -4.759 495 HD22 ASN 60 2HD2 ASN 60 -11.557 -5.180 -5.781 496 H ALA 61 H ALA 61 -8.233 -1.513 -4.971 497 HA ALA 61 HA ALA 61 -8.327 0.791 -3.305 498 HB1 ALA 61 1HB ALA 61 -7.135 -1.149 -2.555 499 HB2 ALA 61 2HB ALA 61 -6.071 -1.095 -3.961 500 HB3 ALA 61 3HB ALA 61 -5.985 0.176 -2.741 501 H ARG 62 H ARG 62 -6.532 -0.020 -6.257 502 HA ARG 62 HA ARG 62 -5.090 2.419 -6.379 503 HB2 ARG 62 1HB ARG 62 -5.727 0.299 -8.423 504 HB3 ARG 62 2HB ARG 62 -4.797 1.735 -8.828 505 HG2 ARG 62 1HG ARG 62 -3.074 1.135 -7.279 506 HG3 ARG 62 2HG ARG 62 -4.040 -0.206 -6.658 507 HD2 ARG 62 1HD ARG 62 -2.653 0.064 -9.299 508 HD3 ARG 62 2HD ARG 62 -2.542 -1.236 -8.113 509 HE ARG 62 HE ARG 62 -4.459 -2.179 -8.992 510 HH11 ARG 62 2HH1 ARG 62 -3.912 0.966 -10.381 511 HH12 ARG 62 1HH1 ARG 62 -5.096 0.765 -11.629 512 HH21 ARG 62 2HH2 ARG 62 -6.021 -2.456 -10.631 513 HH22 ARG 62 1HH2 ARG 62 -6.296 -1.182 -11.770 514 H ARG 63 H ARG 63 -8.316 1.937 -6.607 515 HA ARG 63 HA ARG 63 -8.754 3.951 -8.690 516 HB2 ARG 63 1HB ARG 63 -10.467 1.867 -7.401 517 HB3 ARG 63 2HB ARG 63 -11.237 3.288 -8.095 518 HG2 ARG 63 1HG ARG 63 -10.178 2.792 -10.253 519 HG3 ARG 63 2HG ARG 63 -9.453 1.346 -9.548 520 HD2 ARG 63 1HD ARG 63 -11.551 0.312 -9.257 521 HD3 ARG 63 2HD ARG 63 -12.419 1.823 -9.527 522 HE ARG 63 HE ARG 63 -10.879 1.033 -11.799 523 HH11 ARG 63 2HH1 ARG 63 -13.875 0.505 -10.106 524 HH12 ARG 63 1HH1 ARG 63 -14.729 -0.028 -11.516 525 HH21 ARG 63 2HH2 ARG 63 -11.993 0.334 -13.663 526 HH22 ARG 63 1HH2 ARG 63 -13.657 -0.125 -13.539 527 H ARG 64 H ARG 64 -8.981 3.428 -5.260 528 HA ARG 64 HA ARG 64 -9.925 6.200 -4.944 529 HB2 ARG 64 1HB ARG 64 -11.497 4.187 -4.280 530 HB3 ARG 64 2HB ARG 64 -10.487 4.153 -2.841 531 HG2 ARG 64 1HG ARG 64 -11.087 6.407 -2.291 532 HG3 ARG 64 2HG ARG 64 -11.954 6.592 -3.817 533 HD2 ARG 64 1HD ARG 64 -13.618 5.025 -3.152 534 HD3 ARG 64 2HD ARG 64 -12.680 4.536 -1.742 535 HE ARG 64 HE ARG 64 -13.101 7.181 -1.333 536 HH11 ARG 64 2HH1 ARG 64 -15.195 4.492 -2.041 537 HH12 ARG 64 1HH1 ARG 64 -16.550 5.154 -1.189 538 HH21 ARG 64 2HH2 ARG 64 -14.878 8.064 -0.208 539 HH22 ARG 64 1HH2 ARG 64 -16.369 7.186 -0.147 540 H ILE 65 H ILE 65 -8.061 3.548 -3.521 541 HA ILE 65 HA ILE 65 -6.880 5.112 -1.465 542 HB ILE 65 HB ILE 65 -5.845 2.552 -2.688 543 HG12 ILE 65 1HG1 ILE 65 -7.667 2.996 -0.313 544 HG13 ILE 65 2HG1 ILE 65 -8.137 2.296 -1.858 545 HG21 ILE 65 1HG2 ILE 65 -4.997 4.232 -0.421 546 HG22 ILE 65 2HG2 ILE 65 -5.053 2.497 -0.118 547 HG23 ILE 65 3HG2 ILE 65 -4.062 3.130 -1.432 548 HD11 ILE 65 1HD1 ILE 65 -5.921 0.841 -0.816 549 HD12 ILE 65 2HD1 ILE 65 -7.167 0.980 0.425 550 HD13 ILE 65 3HD1 ILE 65 -7.562 0.288 -1.148 551 H LEU 66 H LEU 66 -5.511 3.822 -4.498 552 HA LEU 66 HA LEU 66 -3.027 4.955 -4.433 553 HB2 LEU 66 1HB LEU 66 -3.443 3.532 -6.219 554 HB3 LEU 66 2HB LEU 66 -4.911 4.388 -6.685 555 HG LEU 66 HG LEU 66 -3.638 6.168 -7.664 556 HD11 LEU 66 1HD1 LEU 66 -1.306 4.804 -6.364 557 HD12 LEU 66 2HD1 LEU 66 -1.810 6.490 -6.253 558 HD13 LEU 66 3HD1 LEU 66 -1.093 5.880 -7.744 559 HD21 LEU 66 1HD2 LEU 66 -2.031 3.950 -8.721 560 HD22 LEU 66 2HD2 LEU 66 -3.138 5.047 -9.546 561 HD23 LEU 66 3HD2 LEU 66 -3.769 3.651 -8.670 562 HA PRO 67 HA PRO 67 -4.779 9.019 -6.408 563 HB2 PRO 67 1HB PRO 67 -7.466 9.382 -6.257 564 HB3 PRO 67 2HB PRO 67 -6.679 8.583 -7.624 565 HG2 PRO 67 1HG PRO 67 -8.069 7.371 -5.266 566 HG3 PRO 67 2HG PRO 67 -8.161 6.912 -6.977 567 HD2 PRO 67 1HD PRO 67 -6.631 5.571 -5.190 568 HD3 PRO 67 2HD PRO 67 -6.180 5.737 -6.899 569 H ASP 68 H ASP 68 -5.619 7.589 -3.459 570 HA ASP 68 HA ASP 68 -6.431 10.056 -2.161 571 HB2 ASP 68 1HB ASP 68 -7.479 7.908 -1.527 572 HB3 ASP 68 2HB ASP 68 -5.912 7.320 -0.977 573 H MET 69 H MET 69 -3.685 7.817 -2.113 574 HA MET 69 HA MET 69 -2.217 9.519 -0.280 575 HB2 MET 69 1HB MET 69 -0.397 7.787 -0.659 576 HB3 MET 69 2HB MET 69 -1.879 7.208 0.091 577 HG2 MET 69 1HG MET 69 -2.618 6.246 -1.977 578 HG3 MET 69 2HG MET 69 -1.253 6.954 -2.839 579 HE1 MET 69 1HE MET 69 -1.235 3.281 -0.107 580 HE2 MET 69 2HE MET 69 -1.529 4.856 0.630 581 HE3 MET 69 3HE MET 69 -2.625 4.243 -0.610 582 H LEU 70 H LEU 70 -2.048 8.521 -3.672 583 HA LEU 70 HA LEU 70 0.281 10.122 -4.205 584 HB2 LEU 70 1HB LEU 70 0.074 8.189 -5.522 585 HB3 LEU 70 2HB LEU 70 -1.609 8.537 -5.913 586 HG LEU 70 HG LEU 70 -0.814 10.469 -7.282 587 HD11 LEU 70 1HD1 LEU 70 1.504 10.265 -5.952 588 HD12 LEU 70 2HD1 LEU 70 1.363 11.003 -7.547 589 HD13 LEU 70 3HD1 LEU 70 1.907 9.333 -7.394 590 HD21 LEU 70 1HD2 LEU 70 -1.392 8.336 -8.309 591 HD22 LEU 70 2HD2 LEU 70 0.251 7.750 -8.043 592 HD23 LEU 70 3HD2 LEU 70 -0.039 9.093 -9.150 593 H GLN 71 H GLN 71 -3.160 10.543 -4.339 594 HA GLN 71 HA GLN 71 -4.499 12.267 -5.001 595 HB2 GLN 71 1HB GLN 71 -2.046 13.656 -3.958 596 HB3 GLN 71 2HB GLN 71 -3.420 14.574 -4.558 597 HG2 GLN 71 1HG GLN 71 -4.762 13.978 -2.813 598 HG3 GLN 71 2HG GLN 71 -3.920 12.453 -2.541 599 HE21 GLN 71 1HE2 GLN 71 -3.096 12.466 -0.581 600 HE22 GLN 71 2HE2 GLN 71 -2.241 13.773 0.157 601 H GLN 72 H GLN 72 -3.526 11.091 -7.188 602 HA GLN 72 HA GLN 72 -2.161 12.943 -8.914 603 HB2 GLN 72 1HB GLN 72 -1.889 10.488 -9.119 604 HB3 GLN 72 2HB GLN 72 -3.576 10.361 -9.600 605 HG2 GLN 72 1HG GLN 72 -2.426 10.297 -11.609 606 HG3 GLN 72 2HG GLN 72 -2.956 11.974 -11.490 607 HE21 GLN 72 1HE2 GLN 72 -0.259 9.805 -11.421 608 HE22 GLN 72 2HE2 GLN 72 0.978 11.008 -11.491 609 H ARG 73 H ARG 73 -3.607 14.749 -8.771 610 HA ARG 73 HA ARG 73 -6.320 14.664 -9.487 611 HB2 ARG 73 1HB ARG 73 -4.864 16.561 -8.402 612 HB3 ARG 73 2HB ARG 73 -4.638 17.070 -10.070 613 HG2 ARG 73 1HG ARG 73 -7.380 16.586 -8.977 614 HG3 ARG 73 2HG ARG 73 -6.543 18.115 -8.699 615 HD2 ARG 73 1HD ARG 73 -6.859 16.945 -11.447 616 HD3 ARG 73 2HD ARG 73 -8.098 17.968 -10.721 617 HE ARG 73 HE ARG 73 -5.579 18.807 -11.800 618 HH11 ARG 73 2HH1 ARG 73 -8.081 19.565 -9.501 619 HH12 ARG 73 1HH1 ARG 73 -7.732 21.262 -9.484 620 HH21 ARG 73 2HH2 ARG 73 -5.111 21.040 -11.787 621 HH22 ARG 73 1HH2 ARG 73 -6.043 22.100 -10.786 622 H ARG 74 H ARG 74 -6.932 13.741 -11.354 623 HA ARG 74 HA ARG 74 -5.762 14.807 -13.836 624 HB2 ARG 74 1HB ARG 74 -4.929 12.554 -13.554 625 HB3 ARG 74 2HB ARG 74 -6.552 11.951 -13.249 626 HG2 ARG 74 1HG ARG 74 -7.206 12.331 -15.503 627 HG3 ARG 74 2HG ARG 74 -5.719 13.218 -15.844 628 HD2 ARG 74 1HD ARG 74 -5.385 11.086 -16.770 629 HD3 ARG 74 2HD ARG 74 -4.489 11.073 -15.252 630 HE ARG 74 HE ARG 74 -7.096 10.084 -14.834 631 HH11 ARG 74 2HH1 ARG 74 -4.062 9.212 -16.302 632 HH12 ARG 74 1HH1 ARG 74 -4.304 7.509 -16.097 633 HH21 ARG 74 2HH2 ARG 74 -7.425 7.844 -14.559 634 HH22 ARG 74 1HH2 ARG 74 -6.217 6.731 -15.106 635 H ASN 75 H ASN 75 -8.572 13.250 -12.338 636 HA ASN 75 HA ASN 75 -10.283 14.720 -14.227 637 HB2 ASN 75 1HB ASN 75 -10.115 12.264 -14.782 638 HB3 ASN 75 2HB ASN 75 -10.876 11.929 -13.229 639 HD21 ASN 75 1HD2 ASN 75 -11.339 13.806 -16.193 640 HD22 ASN 75 2HD2 ASN 75 -13.057 13.625 -16.245 641 H ASP 76 H ASP 76 -9.562 15.634 -11.691 642 HA ASP 76 HA ASP 76 -12.126 15.405 -10.258 643 HB2 ASP 76 1HB ASP 76 -10.460 14.264 -8.938 644 HB3 ASP 76 2HB ASP 76 -9.347 15.621 -9.087 645 HA PRO 77 HA PRO 77 -11.862 19.790 -11.357 646 HB2 PRO 77 1HB PRO 77 -14.516 20.248 -11.020 647 HB3 PRO 77 2HB PRO 77 -13.844 19.532 -12.489 648 HG2 PRO 77 1HG PRO 77 -15.154 18.190 -10.156 649 HG3 PRO 77 2HG PRO 77 -15.362 17.876 -11.889 650 HD2 PRO 77 1HD PRO 77 -13.798 16.333 -10.306 651 HD3 PRO 77 2HD PRO 77 -13.435 16.619 -12.020 652 H SER 78 H SER 78 -11.359 21.363 -9.970 653 HA SER 78 HA SER 78 -11.306 21.133 -7.237 654 HB2 SER 78 1HB SER 78 -10.275 22.937 -8.820 655 HB3 SER 78 2HB SER 78 -11.758 23.830 -8.479 656 HG SER 78 HG SER 78 -9.681 23.921 -7.034 657 H GLY 79 H GLY 79 -13.021 20.590 -6.030 658 HA2 GLY 79 1HA GLY 79 -15.236 22.476 -5.889 659 HA3 GLY 79 2HA GLY 79 -15.654 20.832 -6.349 660 HA PRO 80 HA PRO 80 -16.085 19.897 -2.079 661 HB2 PRO 80 1HB PRO 80 -15.816 17.198 -2.193 662 HB3 PRO 80 2HB PRO 80 -17.263 18.043 -2.755 663 HG2 PRO 80 1HG PRO 80 -14.950 16.990 -4.337 664 HG3 PRO 80 2HG PRO 80 -16.684 16.897 -4.694 665 HD2 PRO 80 1HD PRO 80 -15.052 18.713 -5.864 666 HD3 PRO 80 2HD PRO 80 -16.759 19.050 -5.514 667 H SER 81 H SER 81 -14.836 19.572 -0.287 668 HA SER 81 HA SER 81 -12.122 18.518 -0.651 669 HB2 SER 81 1HB SER 81 -12.091 21.032 -0.740 670 HB3 SER 81 2HB SER 81 -12.709 21.041 0.911 671 HG SER 81 HG SER 81 -10.836 20.124 1.619 672 H SER 82 H SER 82 -11.111 17.795 1.317 673 HA SER 82 HA SER 82 -13.086 16.809 3.233 674 HB2 SER 82 1HB SER 82 -11.306 15.260 3.952 675 HB3 SER 82 2HB SER 82 -11.588 15.155 2.214 676 HG SER 82 HG SER 82 -9.540 16.705 3.423 677 H GLY 83 H GLY 83 -10.157 18.754 3.062 678 HA2 GLY 83 1HA GLY 83 -9.919 19.074 5.905 679 HA3 GLY 83 2HA GLY 83 -9.039 19.972 4.677 Start of MODEL 5 1 H1 GLY 1 H GLY 1 9.649 -18.209 -14.582 2 HA2 GLY 1 1HA GLY 1 8.647 -17.641 -17.158 3 HA3 GLY 1 2HA GLY 1 9.172 -19.317 -17.104 4 H SER 2 H SER 2 6.475 -17.876 -17.243 5 HA SER 2 HA SER 2 4.988 -19.802 -15.825 6 HB2 SER 2 1HB SER 2 5.874 -18.129 -13.999 7 HB3 SER 2 2HB SER 2 4.573 -17.100 -14.597 8 HG SER 2 HG SER 2 4.217 -19.783 -13.747 9 H SER 3 H SER 3 2.672 -19.498 -16.047 10 HA SER 3 HA SER 3 2.049 -17.818 -18.372 11 HB2 SER 3 1HB SER 3 0.813 -20.325 -17.253 12 HB3 SER 3 2HB SER 3 -0.064 -19.309 -18.397 13 HG SER 3 HG SER 3 2.162 -19.554 -19.562 14 H GLY 4 H GLY 4 0.725 -18.762 -15.208 15 HA2 GLY 4 1HA GLY 4 -0.479 -17.507 -13.689 16 HA3 GLY 4 2HA GLY 4 -0.232 -16.106 -14.721 17 H SER 5 H SER 5 -2.641 -16.925 -13.309 18 HA SER 5 HA SER 5 -4.496 -16.596 -15.470 19 HB2 SER 5 1HB SER 5 -4.168 -19.030 -15.583 20 HB3 SER 5 2HB SER 5 -4.592 -19.170 -13.877 21 HG SER 5 HG SER 5 -6.262 -18.305 -16.001 22 H SER 6 H SER 6 -6.734 -16.356 -14.686 23 HA SER 6 HA SER 6 -7.275 -16.174 -11.894 24 HB2 SER 6 1HB SER 6 -7.364 -13.829 -11.582 25 HB3 SER 6 2HB SER 6 -5.822 -14.120 -12.385 26 HG SER 6 HG SER 6 -7.351 -13.770 -14.364 27 H GLY 7 H GLY 7 -9.466 -15.638 -11.444 28 HA2 GLY 7 1HA GLY 7 -11.303 -14.829 -13.451 29 HA3 GLY 7 2HA GLY 7 -11.330 -16.578 -13.276 30 H LYS 8 H LYS 8 -11.184 -17.091 -10.695 31 HA LYS 8 HA LYS 8 -13.667 -16.805 -9.656 32 HB2 LYS 8 1HB LYS 8 -11.106 -16.811 -8.049 33 HB3 LYS 8 2HB LYS 8 -12.702 -17.215 -7.432 34 HG2 LYS 8 1HG LYS 8 -12.806 -19.124 -8.959 35 HG3 LYS 8 2HG LYS 8 -11.196 -18.721 -9.562 36 HD2 LYS 8 1HD LYS 8 -10.452 -18.901 -7.111 37 HD3 LYS 8 2HD LYS 8 -11.993 -19.720 -6.844 38 HE2 LYS 8 1HE LYS 8 -11.267 -21.196 -8.848 39 HE3 LYS 8 2HE LYS 8 -9.652 -20.578 -8.505 40 HZ1 LYS 8 1HZ LYS 8 -9.847 -22.566 -7.305 41 HZ2 LYS 8 2HZ LYS 8 -11.398 -22.193 -6.743 42 HZ3 LYS 8 3HZ LYS 8 -10.058 -21.347 -6.151 43 H LYS 9 H LYS 9 -14.821 -15.346 -8.477 44 HA LYS 9 HA LYS 9 -13.527 -12.865 -7.632 45 HB2 LYS 9 1HB LYS 9 -15.181 -11.464 -8.702 46 HB3 LYS 9 2HB LYS 9 -14.411 -12.476 -9.917 47 HG2 LYS 9 1HG LYS 9 -16.381 -14.036 -9.690 48 HG3 LYS 9 2HG LYS 9 -17.157 -12.770 -8.736 49 HD2 LYS 9 1HD LYS 9 -17.382 -11.362 -10.540 50 HD3 LYS 9 2HD LYS 9 -16.013 -12.070 -11.399 51 HE2 LYS 9 1HE LYS 9 -17.263 -13.776 -12.264 52 HE3 LYS 9 2HE LYS 9 -18.386 -13.788 -10.905 53 HZ1 LYS 9 1HZ LYS 9 -18.536 -12.354 -13.387 54 HZ2 LYS 9 2HZ LYS 9 -18.804 -11.363 -12.043 55 HZ3 LYS 9 3HZ LYS 9 -19.762 -12.736 -12.285 56 H ARG 10 H ARG 10 -14.437 -11.924 -5.847 57 HA ARG 10 HA ARG 10 -17.046 -12.449 -4.902 58 HB2 ARG 10 1HB ARG 10 -15.754 -14.660 -4.496 59 HB3 ARG 10 2HB ARG 10 -14.959 -13.777 -3.200 60 HG2 ARG 10 1HG ARG 10 -17.930 -13.760 -3.315 61 HG3 ARG 10 2HG ARG 10 -17.107 -15.217 -2.757 62 HD2 ARG 10 1HD ARG 10 -15.789 -13.578 -1.236 63 HD3 ARG 10 2HD ARG 10 -17.125 -12.474 -1.562 64 HE ARG 10 HE ARG 10 -18.337 -14.785 -0.776 65 HH11 ARG 10 2HH1 ARG 10 -15.921 -12.690 0.601 66 HH12 ARG 10 1HH1 ARG 10 -16.366 -13.039 2.239 67 HH21 ARG 10 2HH2 ARG 10 -18.932 -15.252 1.376 68 HH22 ARG 10 1HH2 ARG 10 -18.078 -14.496 2.679 69 H LYS 11 H LYS 11 -17.584 -10.765 -3.681 70 HA LYS 11 HA LYS 11 -15.920 -8.661 -3.071 71 HB2 LYS 11 1HB LYS 11 -18.555 -9.571 -1.993 72 HB3 LYS 11 2HB LYS 11 -17.728 -8.241 -1.194 73 HG2 LYS 11 1HG LYS 11 -17.968 -6.830 -2.988 74 HG3 LYS 11 2HG LYS 11 -18.094 -8.154 -4.149 75 HD2 LYS 11 1HD LYS 11 -20.219 -7.897 -2.085 76 HD3 LYS 11 2HD LYS 11 -20.206 -6.732 -3.411 77 HE2 LYS 11 1HE LYS 11 -21.499 -8.352 -4.358 78 HE3 LYS 11 2HE LYS 11 -19.909 -8.933 -4.852 79 HZ1 LYS 11 1HZ LYS 11 -20.416 -9.994 -2.337 80 HZ2 LYS 11 2HZ LYS 11 -20.356 -10.819 -3.812 81 HZ3 LYS 11 3HZ LYS 11 -21.830 -10.217 -3.239 82 H GLY 12 H GLY 12 -15.179 -7.838 -0.982 83 HA2 GLY 12 1HA GLY 12 -14.984 -8.847 1.444 84 HA3 GLY 12 2HA GLY 12 -13.976 -9.998 0.581 85 H ASN 13 H ASN 13 -14.076 -7.018 2.166 86 HA ASN 13 HA ASN 13 -11.664 -5.985 0.911 87 HB2 ASN 13 1HB ASN 13 -13.612 -4.524 1.642 88 HB3 ASN 13 2HB ASN 13 -13.107 -4.836 3.300 89 HD21 ASN 13 1HD2 ASN 13 -11.967 -3.593 0.201 90 HD22 ASN 13 2HD2 ASN 13 -10.848 -2.458 0.866 91 H LEU 14 H LEU 14 -9.835 -5.294 2.294 92 HA LEU 14 HA LEU 14 -9.211 -7.405 4.222 93 HB2 LEU 14 1HB LEU 14 -7.295 -5.353 3.164 94 HB3 LEU 14 2HB LEU 14 -6.937 -6.931 3.862 95 HG LEU 14 HG LEU 14 -8.433 -6.719 1.275 96 HD11 LEU 14 1HD1 LEU 14 -6.672 -5.626 0.416 97 HD12 LEU 14 2HD1 LEU 14 -5.891 -7.205 0.479 98 HD13 LEU 14 3HD1 LEU 14 -5.621 -6.037 1.772 99 HD21 LEU 14 1HD2 LEU 14 -8.275 -8.930 1.332 100 HD22 LEU 14 2HD2 LEU 14 -7.533 -8.815 2.928 101 HD23 LEU 14 3HD2 LEU 14 -6.520 -8.833 1.484 102 HA PRO 15 HA PRO 15 -9.545 -4.750 7.710 103 HB2 PRO 15 1HB PRO 15 -7.769 -5.946 9.378 104 HB3 PRO 15 2HB PRO 15 -9.347 -6.644 8.994 105 HG2 PRO 15 1HG PRO 15 -6.658 -7.297 7.851 106 HG3 PRO 15 2HG PRO 15 -7.961 -8.394 8.344 107 HD2 PRO 15 1HD PRO 15 -7.518 -7.729 5.757 108 HD3 PRO 15 2HD PRO 15 -9.140 -8.076 6.390 109 H ALA 16 H ALA 16 -8.643 -2.897 8.435 110 HA ALA 16 HA ALA 16 -6.716 -1.495 7.225 111 HB1 ALA 16 1HB ALA 16 -6.825 -1.401 10.219 112 HB2 ALA 16 2HB ALA 16 -6.601 -0.079 9.072 113 HB3 ALA 16 3HB ALA 16 -8.180 -0.847 9.235 114 H GLU 17 H GLU 17 -5.959 -3.272 10.230 115 HA GLU 17 HA GLU 17 -3.309 -3.039 10.418 116 HB2 GLU 17 1HB GLU 17 -3.196 -5.366 11.274 117 HB3 GLU 17 2HB GLU 17 -4.537 -4.448 11.944 118 HG2 GLU 17 1HG GLU 17 -6.026 -5.528 10.267 119 HG3 GLU 17 2HG GLU 17 -4.666 -6.544 9.792 120 H SER 18 H SER 18 -4.859 -5.422 8.274 121 HA SER 18 HA SER 18 -2.420 -6.302 7.114 122 HB2 SER 18 1HB SER 18 -4.103 -7.877 6.875 123 HB3 SER 18 2HB SER 18 -5.325 -6.667 6.487 124 HG SER 18 HG SER 18 -3.210 -6.940 4.702 125 H VAL 19 H VAL 19 -4.878 -3.953 6.143 126 HA VAL 19 HA VAL 19 -3.991 -3.366 3.582 127 HB VAL 19 HB VAL 19 -5.215 -1.498 5.615 128 HG11 VAL 19 1HG1 VAL 19 -5.688 0.020 3.860 129 HG12 VAL 19 2HG1 VAL 19 -3.977 -0.387 3.713 130 HG13 VAL 19 3HG1 VAL 19 -5.156 -1.126 2.630 131 HG21 VAL 19 1HG2 VAL 19 -7.279 -1.931 4.252 132 HG22 VAL 19 2HG2 VAL 19 -6.389 -3.218 3.438 133 HG23 VAL 19 3HG2 VAL 19 -6.690 -3.315 5.173 134 H LYS 20 H LYS 20 -3.089 -1.744 6.625 135 HA LYS 20 HA LYS 20 -1.389 0.179 5.801 136 HB2 LYS 20 1HB LYS 20 -1.798 -0.206 8.150 137 HB3 LYS 20 2HB LYS 20 -0.966 -1.754 8.086 138 HG2 LYS 20 1HG LYS 20 1.123 -0.781 7.986 139 HG3 LYS 20 2HG LYS 20 0.495 0.748 7.367 140 HD2 LYS 20 1HD LYS 20 -0.129 -0.262 10.132 141 HD3 LYS 20 2HD LYS 20 1.281 0.740 9.780 142 HE2 LYS 20 1HE LYS 20 -0.373 2.370 8.711 143 HE3 LYS 20 2HE LYS 20 -1.630 1.439 9.524 144 HZ1 LYS 20 1HZ LYS 20 0.661 2.755 10.881 145 HZ2 LYS 20 2HZ LYS 20 -0.603 1.923 11.637 146 HZ3 LYS 20 3HZ LYS 20 -0.914 3.370 10.818 147 H ILE 21 H ILE 21 -0.615 -3.270 6.003 148 HA ILE 21 HA ILE 21 2.102 -3.076 5.316 149 HB ILE 21 HB ILE 21 0.149 -5.337 4.885 150 HG12 ILE 21 1HG1 ILE 21 1.798 -6.196 6.811 151 HG13 ILE 21 2HG1 ILE 21 1.931 -4.465 7.103 152 HG21 ILE 21 1HG2 ILE 21 1.993 -6.774 4.427 153 HG22 ILE 21 2HG2 ILE 21 2.123 -5.389 3.344 154 HG23 ILE 21 3HG2 ILE 21 3.154 -5.493 4.771 155 HD11 ILE 21 1HD1 ILE 21 -0.800 -4.971 6.817 156 HD12 ILE 21 2HD1 ILE 21 -0.166 -6.278 7.819 157 HD13 ILE 21 3HD1 ILE 21 0.080 -4.599 8.299 158 H LEU 22 H LEU 22 -0.774 -3.610 3.300 159 HA LEU 22 HA LEU 22 0.676 -3.755 0.855 160 HB2 LEU 22 1HB LEU 22 -2.231 -3.235 1.443 161 HB3 LEU 22 2HB LEU 22 -1.579 -3.425 -0.183 162 HG LEU 22 HG LEU 22 -1.637 -5.522 1.987 163 HD11 LEU 22 1HD1 LEU 22 -3.771 -5.562 1.189 164 HD12 LEU 22 2HD1 LEU 22 -2.996 -6.615 0.005 165 HD13 LEU 22 3HD1 LEU 22 -3.314 -4.926 -0.392 166 HD21 LEU 22 1HD2 LEU 22 0.032 -6.515 0.913 167 HD22 LEU 22 2HD2 LEU 22 0.053 -5.250 -0.316 168 HD23 LEU 22 3HD2 LEU 22 -1.008 -6.647 -0.505 169 H ARG 23 H ARG 23 -1.466 -1.222 2.173 170 HA ARG 23 HA ARG 23 -1.150 0.719 0.282 171 HB2 ARG 23 1HB ARG 23 -1.621 0.775 3.218 172 HB3 ARG 23 2HB ARG 23 -1.197 2.294 2.440 173 HG2 ARG 23 1HG ARG 23 -3.080 1.748 0.788 174 HG3 ARG 23 2HG ARG 23 -3.593 0.558 1.986 175 HD2 ARG 23 1HD ARG 23 -4.793 2.642 2.302 176 HD3 ARG 23 2HD ARG 23 -3.729 2.335 3.674 177 HE ARG 23 HE ARG 23 -2.214 3.900 2.087 178 HH11 ARG 23 2HH1 ARG 23 -5.465 4.197 3.297 179 HH12 ARG 23 1HH1 ARG 23 -5.433 5.929 3.332 180 HH21 ARG 23 2HH2 ARG 23 -2.160 6.180 2.128 181 HH22 ARG 23 1HH2 ARG 23 -3.553 7.056 2.665 182 H ASP 24 H ASP 24 0.939 0.262 3.132 183 HA ASP 24 HA ASP 24 2.734 2.280 2.821 184 HB2 ASP 24 1HB ASP 24 2.687 0.395 4.572 185 HB3 ASP 24 2HB ASP 24 3.681 -0.512 3.435 186 H TRP 25 H TRP 25 2.733 -0.805 1.082 187 HA TRP 25 HA TRP 25 5.096 -0.160 -0.419 188 HB2 TRP 25 1HB TRP 25 4.493 -2.493 0.119 189 HB3 TRP 25 2HB TRP 25 3.048 -2.340 -0.876 190 HD1 TRP 25 HD TRP 25 6.751 -3.023 -1.089 191 HE1 TRP 25 1HE TRP 25 7.386 -3.544 -3.529 192 HE3 TRP 25 3HE TRP 25 2.370 -1.702 -3.368 193 HZ2 TRP 25 2HZ TRP 25 6.188 -3.412 -6.081 194 HZ3 TRP 25 3HZ TRP 25 2.196 -1.929 -5.812 195 HH2 TRP 25 HH TRP 25 4.067 -2.766 -7.139 196 H MET 26 H MET 26 1.629 -0.412 -1.182 197 HA MET 26 HA MET 26 1.739 0.262 -3.868 198 HB2 MET 26 1HB MET 26 -0.300 -0.541 -2.813 199 HB3 MET 26 2HB MET 26 -0.404 0.920 -1.840 200 HG2 MET 26 1HG MET 26 -0.498 2.159 -4.088 201 HG3 MET 26 2HG MET 26 -0.870 0.578 -4.773 202 HE1 MET 26 1HE MET 26 -3.297 1.472 -5.703 203 HE2 MET 26 2HE MET 26 -3.079 -0.186 -5.143 204 HE3 MET 26 3HE MET 26 -4.532 0.712 -4.699 205 H TYR 27 H TYR 27 2.239 2.239 -1.092 206 HA TYR 27 HA TYR 27 1.677 4.754 -2.313 207 HB2 TYR 27 1HB TYR 27 1.659 4.433 0.133 208 HB3 TYR 27 2HB TYR 27 3.393 4.129 0.100 209 HD1 TYR 27 2HD TYR 27 1.027 6.740 -1.166 210 HD2 TYR 27 1HD TYR 27 4.723 5.884 0.760 211 HE1 TYR 27 2HE TYR 27 1.449 9.150 -0.918 212 HE2 TYR 27 1HE TYR 27 5.154 8.292 1.015 213 HH TYR 27 HH TYR 27 3.834 10.399 1.108 214 H LYS 28 H LYS 28 4.788 3.334 -1.289 215 HA LYS 28 HA LYS 28 6.400 5.162 -2.673 216 HB2 LYS 28 1HB LYS 28 6.872 2.391 -1.608 217 HB3 LYS 28 2HB LYS 28 8.128 3.239 -2.500 218 HG2 LYS 28 1HG LYS 28 7.825 5.132 -0.837 219 HG3 LYS 28 2HG LYS 28 6.878 3.991 0.122 220 HD2 LYS 28 1HD LYS 28 8.947 2.440 -0.174 221 HD3 LYS 28 2HD LYS 28 9.793 3.942 -0.554 222 HE2 LYS 28 1HE LYS 28 9.032 4.881 1.594 223 HE3 LYS 28 2HE LYS 28 8.255 3.344 1.972 224 HZ1 LYS 28 1HZ LYS 28 10.767 2.586 1.377 225 HZ2 LYS 28 2HZ LYS 28 10.195 2.871 2.943 226 HZ3 LYS 28 3HZ LYS 28 11.038 4.083 2.118 227 H HIS 29 H HIS 29 4.841 2.206 -3.694 228 HA HIS 29 HA HIS 29 6.165 2.368 -6.308 229 HB2 HIS 29 1HB HIS 29 4.416 0.170 -5.183 230 HB3 HIS 29 2HB HIS 29 5.306 0.115 -6.702 231 HD1 HIS 29 1HD HIS 29 7.927 -0.061 -6.520 232 HD2 HIS 29 2HD HIS 29 5.878 -0.456 -2.927 233 HE1 HIS 29 1HE HIS 29 9.589 -1.031 -4.901 234 HE2 HIS 29 2HE HIS 29 8.303 -1.341 -2.757 235 H ARG 30 H ARG 30 3.578 3.690 -4.908 236 HA ARG 30 HA ARG 30 1.283 3.220 -6.218 237 HB2 ARG 30 1HB ARG 30 0.692 5.532 -5.971 238 HB3 ARG 30 2HB ARG 30 1.690 5.078 -4.597 239 HG2 ARG 30 1HG ARG 30 3.646 6.047 -5.917 240 HG3 ARG 30 2HG ARG 30 2.420 6.773 -6.958 241 HD2 ARG 30 1HD ARG 30 1.691 8.207 -5.333 242 HD3 ARG 30 2HD ARG 30 2.145 7.121 -4.020 243 HE ARG 30 HE ARG 30 4.243 8.064 -3.997 244 HH11 ARG 30 2HH1 ARG 30 2.518 9.100 -6.838 245 HH12 ARG 30 1HH1 ARG 30 3.685 10.305 -7.267 246 HH21 ARG 30 2HH2 ARG 30 5.788 9.648 -4.551 247 HH22 ARG 30 1HH2 ARG 30 5.546 10.616 -5.966 248 H PHE 31 H PHE 31 4.139 4.716 -7.609 249 HA PHE 31 HA PHE 31 3.287 5.837 -9.915 250 HB2 PHE 31 1HB PHE 31 5.649 3.974 -9.602 251 HB3 PHE 31 2HB PHE 31 5.402 5.051 -10.972 252 HD1 PHE 31 1HD PHE 31 4.396 7.463 -9.566 253 HD2 PHE 31 2HD PHE 31 7.587 4.810 -8.620 254 HE1 PHE 31 1HE PHE 31 5.536 9.273 -8.350 255 HE2 PHE 31 2HE PHE 31 8.731 6.615 -7.401 256 HZ PHE 31 HZ PHE 31 7.706 8.850 -7.264 257 H LYS 32 H LYS 32 3.703 2.359 -9.368 258 HA LYS 32 HA LYS 32 2.200 1.865 -11.854 259 HB2 LYS 32 1HB LYS 32 3.308 -0.295 -11.992 260 HB3 LYS 32 2HB LYS 32 4.504 0.991 -11.898 261 HG2 LYS 32 1HG LYS 32 3.671 -0.287 -9.358 262 HG3 LYS 32 2HG LYS 32 4.682 -1.226 -10.458 263 HD2 LYS 32 1HD LYS 32 5.441 1.588 -9.802 264 HD3 LYS 32 2HD LYS 32 5.773 0.305 -8.636 265 HE2 LYS 32 1HE LYS 32 6.781 0.555 -11.460 266 HE3 LYS 32 2HE LYS 32 7.721 0.545 -9.969 267 HZ1 LYS 32 1HZ LYS 32 6.342 -1.716 -11.281 268 HZ2 LYS 32 2HZ LYS 32 6.799 -1.785 -9.654 269 HZ3 LYS 32 3HZ LYS 32 7.974 -1.582 -10.854 270 H ALA 33 H ALA 33 2.514 1.115 -8.451 271 HA ALA 33 HA ALA 33 1.182 -0.011 -6.981 272 HB1 ALA 33 1HB ALA 33 -0.272 1.920 -7.897 273 HB2 ALA 33 2HB ALA 33 -1.153 0.642 -8.735 274 HB3 ALA 33 3HB ALA 33 -1.046 0.631 -6.975 275 H TYR 34 H TYR 34 2.215 -1.479 -9.370 276 HA TYR 34 HA TYR 34 0.322 -3.730 -9.251 277 HB2 TYR 34 1HB TYR 34 1.780 -2.646 -11.658 278 HB3 TYR 34 2HB TYR 34 1.104 -4.271 -11.616 279 HD1 TYR 34 1HD TYR 34 -1.445 -4.352 -10.842 280 HD2 TYR 34 2HD TYR 34 0.480 -0.965 -12.552 281 HE1 TYR 34 1HE TYR 34 -3.633 -3.464 -11.532 282 HE2 TYR 34 2HE TYR 34 -1.702 -0.067 -13.245 283 HH TYR 34 HH TYR 34 -4.246 -1.554 -13.686 284 HA PRO 35 HA PRO 35 4.366 -5.221 -7.708 285 HB2 PRO 35 1HB PRO 35 3.275 -7.045 -6.018 286 HB3 PRO 35 2HB PRO 35 3.481 -5.342 -5.591 287 HG2 PRO 35 1HG PRO 35 1.033 -6.771 -6.553 288 HG3 PRO 35 2HG PRO 35 1.191 -5.569 -5.259 289 HD2 PRO 35 1HD PRO 35 0.277 -4.939 -7.728 290 HD3 PRO 35 2HD PRO 35 1.204 -3.798 -6.734 291 H SER 36 H SER 36 5.244 -7.463 -7.650 292 HA SER 36 HA SER 36 4.105 -9.035 -9.857 293 HB2 SER 36 1HB SER 36 6.522 -8.107 -9.909 294 HB3 SER 36 2HB SER 36 6.884 -9.392 -8.758 295 HG SER 36 HG SER 36 7.077 -10.587 -10.471 296 H GLU 37 H GLU 37 3.925 -11.294 -9.695 297 HA GLU 37 HA GLU 37 2.745 -12.421 -7.589 298 HB2 GLU 37 1HB GLU 37 4.624 -13.600 -9.597 299 HB3 GLU 37 2HB GLU 37 4.025 -14.612 -8.289 300 HG2 GLU 37 1HG GLU 37 1.813 -14.442 -9.010 301 HG3 GLU 37 2HG GLU 37 2.157 -13.042 -10.025 302 H GLU 38 H GLU 38 6.183 -11.826 -7.844 303 HA GLU 38 HA GLU 38 6.915 -13.344 -5.538 304 HB2 GLU 38 1HB GLU 38 8.339 -11.215 -7.131 305 HB3 GLU 38 2HB GLU 38 9.060 -11.989 -5.726 306 HG2 GLU 38 1HG GLU 38 9.918 -13.214 -7.477 307 HG3 GLU 38 2HG GLU 38 8.548 -14.194 -6.959 308 H GLU 39 H GLU 39 6.573 -9.851 -6.152 309 HA GLU 39 HA GLU 39 7.118 -8.977 -3.558 310 HB2 GLU 39 1HB GLU 39 5.491 -7.804 -5.800 311 HB3 GLU 39 2HB GLU 39 5.647 -6.979 -4.256 312 HG2 GLU 39 1HG GLU 39 7.831 -6.454 -4.592 313 HG3 GLU 39 2HG GLU 39 8.136 -7.875 -5.589 314 H LYS 40 H LYS 40 3.968 -9.625 -5.087 315 HA LYS 40 HA LYS 40 2.323 -9.037 -2.943 316 HB2 LYS 40 1HB LYS 40 1.634 -11.410 -4.602 317 HB3 LYS 40 2HB LYS 40 0.634 -10.043 -4.129 318 HG2 LYS 40 1HG LYS 40 2.196 -8.700 -5.720 319 HG3 LYS 40 2HG LYS 40 2.552 -10.291 -6.398 320 HD2 LYS 40 1HD LYS 40 0.020 -10.598 -6.553 321 HD3 LYS 40 2HD LYS 40 -0.088 -8.860 -6.262 322 HE2 LYS 40 1HE LYS 40 1.005 -8.341 -8.262 323 HE3 LYS 40 2HE LYS 40 1.665 -9.967 -8.429 324 HZ1 LYS 40 1HZ LYS 40 -0.058 -9.874 -9.968 325 HZ2 LYS 40 2HZ LYS 40 -1.098 -9.047 -8.923 326 HZ3 LYS 40 3HZ LYS 40 -0.755 -10.682 -8.654 327 H GLN 41 H GLN 41 3.655 -12.229 -3.810 328 HA GLN 41 HA GLN 41 2.656 -13.730 -1.743 329 HB2 GLN 41 1HB GLN 41 4.028 -14.569 -3.663 330 HB3 GLN 41 2HB GLN 41 5.462 -13.977 -2.834 331 HG2 GLN 41 1HG GLN 41 5.275 -16.315 -2.431 332 HG3 GLN 41 2HG GLN 41 4.908 -15.466 -0.930 333 HE21 GLN 41 1HE2 GLN 41 2.849 -15.541 -0.096 334 HE22 GLN 41 2HE2 GLN 41 1.637 -16.621 -0.686 335 H MET 42 H MET 42 5.474 -11.603 -1.712 336 HA MET 42 HA MET 42 6.435 -12.294 0.837 337 HB2 MET 42 1HB MET 42 7.965 -11.073 -0.393 338 HB3 MET 42 2HB MET 42 6.754 -9.936 -0.970 339 HG2 MET 42 1HG MET 42 7.447 -9.986 1.926 340 HG3 MET 42 2HG MET 42 8.539 -9.208 0.783 341 HE1 MET 42 1HE MET 42 6.771 -6.212 -0.531 342 HE2 MET 42 2HE MET 42 7.964 -7.483 -0.797 343 HE3 MET 42 3HE MET 42 6.307 -7.695 -1.366 344 H LEU 43 H LEU 43 4.108 -9.842 -0.212 345 HA LEU 43 HA LEU 43 3.729 -8.723 2.378 346 HB2 LEU 43 1HB LEU 43 1.855 -8.634 0.021 347 HB3 LEU 43 2HB LEU 43 1.865 -7.544 1.406 348 HG LEU 43 HG LEU 43 4.277 -7.708 -0.349 349 HD11 LEU 43 1HD1 LEU 43 3.419 -6.196 -1.923 350 HD12 LEU 43 2HD1 LEU 43 1.978 -5.875 -0.958 351 HD13 LEU 43 3HD1 LEU 43 2.175 -7.435 -1.756 352 HD21 LEU 43 1HD2 LEU 43 2.982 -5.485 1.227 353 HD22 LEU 43 2HD2 LEU 43 4.496 -5.371 0.329 354 HD23 LEU 43 3HD2 LEU 43 4.380 -6.436 1.731 355 H SER 44 H SER 44 2.149 -11.264 0.534 356 HA SER 44 HA SER 44 -0.162 -11.621 2.017 357 HB2 SER 44 1HB SER 44 -0.181 -12.984 0.175 358 HB3 SER 44 2HB SER 44 1.531 -13.380 0.318 359 HG SER 44 HG SER 44 -0.310 -14.307 2.234 360 H GLU 45 H GLU 45 3.114 -12.312 2.861 361 HA GLU 45 HA GLU 45 2.544 -14.188 4.943 362 HB2 GLU 45 1HB GLU 45 5.004 -12.504 4.438 363 HB3 GLU 45 2HB GLU 45 4.900 -13.817 5.602 364 HG2 GLU 45 1HG GLU 45 4.218 -15.253 3.567 365 HG3 GLU 45 2HG GLU 45 4.913 -13.940 2.618 366 H LYS 46 H LYS 46 3.219 -10.714 4.827 367 HA LYS 46 HA LYS 46 3.021 -10.388 7.672 368 HB2 LYS 46 1HB LYS 46 3.113 -8.418 5.387 369 HB3 LYS 46 2HB LYS 46 3.010 -7.928 7.073 370 HG2 LYS 46 1HG LYS 46 5.266 -7.801 6.700 371 HG3 LYS 46 2HG LYS 46 5.119 -9.437 7.346 372 HD2 LYS 46 1HD LYS 46 5.104 -10.334 5.069 373 HD3 LYS 46 2HD LYS 46 5.244 -8.698 4.422 374 HE2 LYS 46 1HE LYS 46 7.436 -9.421 4.377 375 HE3 LYS 46 2HE LYS 46 7.364 -8.572 5.920 376 HZ1 LYS 46 1HZ LYS 46 6.663 -11.359 6.090 377 HZ2 LYS 46 2HZ LYS 46 7.718 -10.449 7.048 378 HZ3 LYS 46 3HZ LYS 46 8.254 -11.095 5.579 379 H THR 47 H THR 47 0.852 -10.161 4.948 380 HA THR 47 HA THR 47 -1.273 -9.065 6.638 381 HB THR 47 HB THR 47 -2.568 -8.823 4.570 382 HG1 THR 47 1HG THR 47 -0.332 -10.166 3.461 383 HG21 THR 47 1HG2 THR 47 -0.995 -7.228 3.380 384 HG22 THR 47 2HG2 THR 47 0.235 -7.722 4.544 385 HG23 THR 47 3HG2 THR 47 -1.241 -6.934 5.101 386 H ASN 48 H ASN 48 -0.147 -12.029 5.381 387 HA ASN 48 HA ASN 48 -0.921 -14.163 5.513 388 HB2 ASN 48 1HB ASN 48 -1.436 -13.458 7.864 389 HB3 ASN 48 2HB ASN 48 -3.064 -13.046 7.331 390 HD21 ASN 48 1HD2 ASN 48 -0.752 -15.730 7.291 391 HD22 ASN 48 2HD2 ASN 48 -1.928 -16.972 7.532 392 H LEU 49 H LEU 49 -1.890 -12.358 3.453 393 HA LEU 49 HA LEU 49 -4.592 -13.402 2.966 394 HB2 LEU 49 1HB LEU 49 -3.211 -11.256 1.385 395 HB3 LEU 49 2HB LEU 49 -4.934 -11.619 1.461 396 HG LEU 49 HG LEU 49 -3.400 -10.576 3.830 397 HD11 LEU 49 1HD1 LEU 49 -4.543 -9.122 1.495 398 HD12 LEU 49 2HD1 LEU 49 -3.079 -8.795 2.422 399 HD13 LEU 49 3HD1 LEU 49 -4.659 -8.399 3.100 400 HD21 LEU 49 1HD2 LEU 49 -6.333 -10.407 3.168 401 HD22 LEU 49 2HD2 LEU 49 -5.545 -10.035 4.701 402 HD23 LEU 49 3HD2 LEU 49 -5.624 -11.703 4.132 403 H SER 50 H SER 50 -4.861 -13.373 0.327 404 HA SER 50 HA SER 50 -2.789 -15.236 -0.636 405 HB2 SER 50 1HB SER 50 -5.710 -15.160 -1.429 406 HB3 SER 50 2HB SER 50 -4.514 -16.347 -1.949 407 HG SER 50 HG SER 50 -6.049 -16.660 0.038 408 H LEU 51 H LEU 51 -1.840 -14.860 -2.562 409 HA LEU 51 HA LEU 51 -1.483 -12.484 -3.700 410 HB2 LEU 51 1HB LEU 51 -1.745 -15.139 -5.081 411 HB3 LEU 51 2HB LEU 51 -1.237 -13.682 -5.932 412 HG LEU 51 HG LEU 51 0.656 -13.525 -4.254 413 HD11 LEU 51 1HD1 LEU 51 -0.623 -16.050 -3.408 414 HD12 LEU 51 2HD1 LEU 51 0.288 -14.867 -2.472 415 HD13 LEU 51 3HD1 LEU 51 1.139 -16.037 -3.480 416 HD21 LEU 51 1HD2 LEU 51 1.949 -15.362 -5.400 417 HD22 LEU 51 2HD2 LEU 51 1.154 -14.204 -6.467 418 HD23 LEU 51 3HD2 LEU 51 0.446 -15.800 -6.213 419 H LEU 52 H LEU 52 -4.235 -14.590 -4.412 420 HA LEU 52 HA LEU 52 -5.398 -13.110 -6.463 421 HB2 LEU 52 1HB LEU 52 -6.245 -15.264 -6.042 422 HB3 LEU 52 2HB LEU 52 -6.557 -14.896 -4.346 423 HG LEU 52 HG LEU 52 -8.390 -13.395 -5.039 424 HD11 LEU 52 1HD1 LEU 52 -7.733 -12.699 -7.202 425 HD12 LEU 52 2HD1 LEU 52 -9.199 -13.656 -7.411 426 HD13 LEU 52 3HD1 LEU 52 -7.627 -14.361 -7.783 427 HD21 LEU 52 1HD2 LEU 52 -9.956 -15.095 -5.423 428 HD22 LEU 52 2HD2 LEU 52 -8.645 -15.885 -4.546 429 HD23 LEU 52 3HD2 LEU 52 -8.791 -16.094 -6.292 430 H GLN 53 H GLN 53 -5.916 -12.881 -2.954 431 HA GLN 53 HA GLN 53 -7.761 -10.716 -3.155 432 HB2 GLN 53 1HB GLN 53 -6.215 -11.915 -0.866 433 HB3 GLN 53 2HB GLN 53 -7.244 -10.505 -0.653 434 HG2 GLN 53 1HG GLN 53 -9.179 -11.690 -1.005 435 HG3 GLN 53 2HG GLN 53 -8.367 -12.946 -1.936 436 HE21 GLN 53 1HE2 GLN 53 -7.996 -11.548 1.308 437 HE22 GLN 53 2HE2 GLN 53 -7.987 -13.061 2.143 438 H ILE 54 H ILE 54 -4.291 -10.984 -2.726 439 HA ILE 54 HA ILE 54 -3.692 -8.401 -1.883 440 HB ILE 54 HB ILE 54 -2.083 -10.203 -3.695 441 HG12 ILE 54 1HG1 ILE 54 -2.604 -11.163 -1.484 442 HG13 ILE 54 2HG1 ILE 54 -0.887 -10.812 -1.652 443 HG21 ILE 54 1HG2 ILE 54 -0.649 -8.528 -3.941 444 HG22 ILE 54 2HG2 ILE 54 -1.653 -7.484 -2.937 445 HG23 ILE 54 3HG2 ILE 54 -0.417 -8.498 -2.193 446 HD11 ILE 54 1HD1 ILE 54 -1.358 -8.644 -0.438 447 HD12 ILE 54 2HD1 ILE 54 -2.942 -9.322 -0.058 448 HD13 ILE 54 3HD1 ILE 54 -1.479 -10.127 0.509 449 H SER 55 H SER 55 -3.229 -9.540 -5.229 450 HA SER 55 HA SER 55 -3.013 -7.017 -6.378 451 HB2 SER 55 1HB SER 55 -2.471 -9.284 -7.424 452 HB3 SER 55 2HB SER 55 -4.188 -9.401 -7.809 453 HG SER 55 HG SER 55 -3.070 -8.499 -9.547 454 H ASN 56 H ASN 56 -5.875 -9.084 -6.010 455 HA ASN 56 HA ASN 56 -7.749 -7.633 -7.389 456 HB2 ASN 56 1HB ASN 56 -7.924 -9.289 -4.891 457 HB3 ASN 56 2HB ASN 56 -9.350 -8.454 -5.499 458 HD21 ASN 56 1HD2 ASN 56 -9.724 -10.983 -5.416 459 HD22 ASN 56 2HD2 ASN 56 -9.544 -11.760 -6.948 460 H TRP 57 H TRP 57 -6.647 -7.106 -4.060 461 HA TRP 57 HA TRP 57 -8.395 -4.984 -3.459 462 HB2 TRP 57 1HB TRP 57 -7.301 -6.047 -1.640 463 HB3 TRP 57 2HB TRP 57 -5.709 -5.788 -2.348 464 HD1 TRP 57 HD TRP 57 -8.466 -3.947 -0.427 465 HE1 TRP 57 1HE TRP 57 -7.475 -1.783 0.554 466 HE3 TRP 57 3HE TRP 57 -3.877 -4.061 -2.678 467 HZ2 TRP 57 2HZ TRP 57 -5.068 -0.318 0.394 468 HZ3 TRP 57 3HZ TRP 57 -2.289 -2.240 -2.212 469 HH2 TRP 57 HH TRP 57 -2.874 -0.408 -0.707 470 H PHE 58 H PHE 58 -5.143 -5.042 -4.851 471 HA PHE 58 HA PHE 58 -4.643 -2.296 -4.853 472 HB2 PHE 58 1HB PHE 58 -3.633 -4.629 -6.397 473 HB3 PHE 58 2HB PHE 58 -3.302 -3.028 -7.049 474 HD1 PHE 58 1HD PHE 58 -2.809 -5.231 -4.134 475 HD2 PHE 58 2HD PHE 58 -1.671 -1.621 -6.080 476 HE1 PHE 58 1HE PHE 58 -0.907 -5.003 -2.590 477 HE2 PHE 58 2HE PHE 58 0.233 -1.387 -4.540 478 HZ PHE 58 HZ PHE 58 0.618 -3.079 -2.792 479 H ILE 59 H ILE 59 -6.289 -4.328 -7.236 480 HA ILE 59 HA ILE 59 -6.618 -2.541 -9.305 481 HB ILE 59 HB ILE 59 -8.636 -4.561 -8.319 482 HG12 ILE 59 1HG1 ILE 59 -6.589 -4.824 -10.527 483 HG13 ILE 59 2HG1 ILE 59 -6.337 -5.418 -8.889 484 HG21 ILE 59 1HG2 ILE 59 -9.499 -4.500 -10.626 485 HG22 ILE 59 2HG2 ILE 59 -9.686 -2.957 -9.794 486 HG23 ILE 59 3HG2 ILE 59 -8.400 -3.167 -10.982 487 HD11 ILE 59 1HD1 ILE 59 -8.836 -6.373 -9.937 488 HD12 ILE 59 2HD1 ILE 59 -7.502 -6.772 -11.020 489 HD13 ILE 59 3HD1 ILE 59 -7.448 -7.277 -9.331 490 H ASN 60 H ASN 60 -9.175 -3.191 -6.903 491 HA ASN 60 HA ASN 60 -10.688 -0.913 -7.528 492 HB2 ASN 60 1HB ASN 60 -10.730 -2.117 -4.780 493 HB3 ASN 60 2HB ASN 60 -12.069 -1.503 -5.745 494 HD21 ASN 60 1HD2 ASN 60 -10.131 -4.209 -4.958 495 HD22 ASN 60 2HD2 ASN 60 -10.941 -5.364 -5.955 496 H ALA 61 H ALA 61 -8.362 -1.489 -4.902 497 HA ALA 61 HA ALA 61 -8.572 0.940 -3.587 498 HB1 ALA 61 1HB ALA 61 -6.184 -0.856 -3.965 499 HB2 ALA 61 2HB ALA 61 -6.207 0.527 -2.870 500 HB3 ALA 61 3HB ALA 61 -7.308 -0.825 -2.606 501 H ARG 62 H ARG 62 -6.847 0.130 -6.534 502 HA ARG 62 HA ARG 62 -5.337 2.530 -6.700 503 HB2 ARG 62 1HB ARG 62 -6.044 0.330 -8.600 504 HB3 ARG 62 2HB ARG 62 -5.345 1.814 -9.233 505 HG2 ARG 62 1HG ARG 62 -3.380 1.526 -7.870 506 HG3 ARG 62 2HG ARG 62 -4.092 0.112 -7.091 507 HD2 ARG 62 1HD ARG 62 -2.607 -0.730 -8.718 508 HD3 ARG 62 2HD ARG 62 -4.223 -0.924 -9.396 509 HE ARG 62 HE ARG 62 -2.129 0.831 -10.348 510 HH11 ARG 62 2HH1 ARG 62 -5.519 0.038 -10.403 511 HH12 ARG 62 1HH1 ARG 62 -5.813 0.832 -11.914 512 HH21 ARG 62 2HH2 ARG 62 -2.505 1.880 -12.338 513 HH22 ARG 62 1HH2 ARG 62 -4.098 1.879 -13.015 514 H ARG 63 H ARG 63 -8.577 2.140 -6.764 515 HA ARG 63 HA ARG 63 -9.044 4.221 -8.782 516 HB2 ARG 63 1HB ARG 63 -11.088 2.505 -7.364 517 HB3 ARG 63 2HB ARG 63 -11.367 3.559 -8.744 518 HG2 ARG 63 1HG ARG 63 -10.021 2.142 -10.155 519 HG3 ARG 63 2HG ARG 63 -9.594 1.127 -8.776 520 HD2 ARG 63 1HD ARG 63 -11.353 0.102 -10.129 521 HD3 ARG 63 2HD ARG 63 -11.927 0.485 -8.507 522 HE ARG 63 HE ARG 63 -12.641 2.660 -9.952 523 HH11 ARG 63 2HH1 ARG 63 -13.138 -0.762 -10.356 524 HH12 ARG 63 1HH1 ARG 63 -14.650 -0.578 -11.181 525 HH21 ARG 63 2HH2 ARG 63 -14.631 2.916 -11.038 526 HH22 ARG 63 1HH2 ARG 63 -15.498 1.515 -11.569 527 H ARG 64 H ARG 64 -9.102 3.582 -5.388 528 HA ARG 64 HA ARG 64 -10.119 6.306 -4.920 529 HB2 ARG 64 1HB ARG 64 -11.580 4.201 -4.246 530 HB3 ARG 64 2HB ARG 64 -10.508 4.192 -2.851 531 HG2 ARG 64 1HG ARG 64 -12.386 5.430 -2.194 532 HG3 ARG 64 2HG ARG 64 -11.133 6.627 -2.533 533 HD2 ARG 64 1HD ARG 64 -12.132 7.279 -4.538 534 HD3 ARG 64 2HD ARG 64 -13.100 5.809 -4.641 535 HE ARG 64 HE ARG 64 -13.894 7.163 -2.347 536 HH11 ARG 64 2HH1 ARG 64 -13.899 7.656 -5.793 537 HH12 ARG 64 1HH1 ARG 64 -15.318 8.650 -5.780 538 HH21 ARG 64 2HH2 ARG 64 -15.763 8.470 -2.316 539 HH22 ARG 64 1HH2 ARG 64 -16.377 9.113 -3.802 540 H ILE 65 H ILE 65 -8.114 3.661 -3.684 541 HA ILE 65 HA ILE 65 -6.863 5.211 -1.652 542 HB ILE 65 HB ILE 65 -5.850 2.686 -2.962 543 HG12 ILE 65 1HG1 ILE 65 -7.703 3.142 -0.624 544 HG13 ILE 65 2HG1 ILE 65 -8.014 2.208 -2.084 545 HG21 ILE 65 1HG2 ILE 65 -4.134 2.726 -1.544 546 HG22 ILE 65 2HG2 ILE 65 -4.574 4.397 -1.195 547 HG23 ILE 65 3HG2 ILE 65 -5.184 3.094 -0.175 548 HD11 ILE 65 1HD1 ILE 65 -7.360 0.391 -1.017 549 HD12 ILE 65 2HD1 ILE 65 -5.745 1.081 -0.859 550 HD13 ILE 65 3HD1 ILE 65 -6.945 1.346 0.406 551 H LEU 66 H LEU 66 -5.510 3.888 -4.681 552 HA LEU 66 HA LEU 66 -3.091 5.131 -4.718 553 HB2 LEU 66 1HB LEU 66 -3.531 3.625 -6.447 554 HB3 LEU 66 2HB LEU 66 -5.000 4.470 -6.931 555 HG LEU 66 HG LEU 66 -3.740 6.211 -7.975 556 HD11 LEU 66 1HD1 LEU 66 -1.944 6.475 -6.407 557 HD12 LEU 66 2HD1 LEU 66 -1.260 6.156 -8.001 558 HD13 LEU 66 3HD1 LEU 66 -1.313 4.873 -6.792 559 HD21 LEU 66 1HD2 LEU 66 -3.899 3.736 -8.951 560 HD22 LEU 66 2HD2 LEU 66 -2.143 3.883 -8.873 561 HD23 LEU 66 3HD2 LEU 66 -3.085 5.045 -9.809 562 HA PRO 67 HA PRO 67 -5.028 9.069 -6.769 563 HB2 PRO 67 1HB PRO 67 -7.725 9.328 -6.603 564 HB3 PRO 67 2HB PRO 67 -6.918 8.527 -7.956 565 HG2 PRO 67 1HG PRO 67 -8.239 7.321 -5.556 566 HG3 PRO 67 2HG PRO 67 -8.327 6.815 -7.253 567 HD2 PRO 67 1HD PRO 67 -6.730 5.583 -5.446 568 HD3 PRO 67 2HD PRO 67 -6.299 5.723 -7.163 569 H ASP 68 H ASP 68 -5.898 7.673 -3.784 570 HA ASP 68 HA ASP 68 -6.691 10.188 -2.557 571 HB2 ASP 68 1HB ASP 68 -7.924 8.322 -1.767 572 HB3 ASP 68 2HB ASP 68 -6.467 7.360 -1.537 573 H MET 69 H MET 69 -4.022 7.864 -2.394 574 HA MET 69 HA MET 69 -2.563 9.166 -0.368 575 HB2 MET 69 1HB MET 69 -0.609 7.881 -1.316 576 HB3 MET 69 2HB MET 69 -2.006 6.909 -0.874 577 HG2 MET 69 1HG MET 69 -2.687 6.808 -3.210 578 HG3 MET 69 2HG MET 69 -1.305 7.803 -3.660 579 HE1 MET 69 1HE MET 69 -2.158 4.956 -1.382 580 HE2 MET 69 2HE MET 69 -2.277 3.876 -2.771 581 HE3 MET 69 3HE MET 69 -0.924 3.725 -1.649 582 H LEU 70 H LEU 70 -2.355 9.366 -3.909 583 HA LEU 70 HA LEU 70 -0.190 11.095 -4.108 584 HB2 LEU 70 1HB LEU 70 -2.510 10.415 -5.815 585 HB3 LEU 70 2HB LEU 70 -1.634 11.891 -6.213 586 HG LEU 70 HG LEU 70 0.441 10.230 -6.071 587 HD11 LEU 70 1HD1 LEU 70 -1.935 8.491 -6.648 588 HD12 LEU 70 2HD1 LEU 70 -0.630 8.228 -5.493 589 HD13 LEU 70 3HD1 LEU 70 -0.316 8.090 -7.223 590 HD21 LEU 70 1HD2 LEU 70 0.363 10.073 -8.465 591 HD22 LEU 70 2HD2 LEU 70 -0.279 11.643 -7.982 592 HD23 LEU 70 3HD2 LEU 70 -1.379 10.353 -8.471 593 H GLN 71 H GLN 71 -3.646 11.863 -3.824 594 HA GLN 71 HA GLN 71 -3.805 14.508 -4.130 595 HB2 GLN 71 1HB GLN 71 -4.987 12.748 -2.016 596 HB3 GLN 71 2HB GLN 71 -5.278 14.482 -1.961 597 HG2 GLN 71 1HG GLN 71 -5.892 12.725 -4.325 598 HG3 GLN 71 2HG GLN 71 -7.062 13.196 -3.093 599 HE21 GLN 71 1HE2 GLN 71 -6.736 15.753 -2.671 600 HE22 GLN 71 2HE2 GLN 71 -6.917 16.687 -4.113 601 H GLN 72 H GLN 72 -2.479 12.966 -1.219 602 HA GLN 72 HA GLN 72 -1.961 15.210 0.303 603 HB2 GLN 72 1HB GLN 72 -1.569 12.641 0.746 604 HB3 GLN 72 2HB GLN 72 0.067 13.016 0.222 605 HG2 GLN 72 1HG GLN 72 -1.230 14.680 2.330 606 HG3 GLN 72 2HG GLN 72 -0.552 13.106 2.741 607 HE21 GLN 72 1HE2 GLN 72 0.379 15.508 3.802 608 HE22 GLN 72 2HE2 GLN 72 1.991 15.773 3.241 609 H ARG 73 H ARG 73 0.116 16.280 0.746 610 HA ARG 73 HA ARG 73 1.125 17.710 -1.320 611 HB2 ARG 73 1HB ARG 73 2.559 16.795 1.175 612 HB3 ARG 73 2HB ARG 73 3.212 17.998 0.071 613 HG2 ARG 73 1HG ARG 73 0.483 18.389 1.200 614 HG3 ARG 73 2HG ARG 73 1.896 18.722 2.202 615 HD2 ARG 73 1HD ARG 73 1.619 20.777 1.255 616 HD3 ARG 73 2HD ARG 73 2.664 20.040 0.042 617 HE ARG 73 HE ARG 73 0.928 20.115 -1.447 618 HH11 ARG 73 2HH1 ARG 73 -0.309 20.589 1.772 619 HH12 ARG 73 1HH1 ARG 73 -1.908 20.989 1.239 620 HH21 ARG 73 2HH2 ARG 73 -1.173 20.639 -2.162 621 HH22 ARG 73 1HH2 ARG 73 -2.399 21.016 -0.999 622 H ARG 74 H ARG 74 1.797 16.911 -3.212 623 HA ARG 74 HA ARG 74 3.361 14.479 -3.347 624 HB2 ARG 74 1HB ARG 74 2.056 16.292 -5.328 625 HB3 ARG 74 2HB ARG 74 3.361 15.250 -5.879 626 HG2 ARG 74 1HG ARG 74 2.164 13.288 -5.222 627 HG3 ARG 74 2HG ARG 74 0.916 14.257 -4.435 628 HD2 ARG 74 1HD ARG 74 1.489 14.680 -7.332 629 HD3 ARG 74 2HD ARG 74 0.537 13.281 -6.837 630 HE ARG 74 HE ARG 74 -1.185 14.698 -6.192 631 HH11 ARG 74 2HH1 ARG 74 1.624 16.511 -7.163 632 HH12 ARG 74 1HH1 ARG 74 0.778 18.020 -7.258 633 HH21 ARG 74 2HH2 ARG 74 -2.310 16.679 -6.315 634 HH22 ARG 74 1HH2 ARG 74 -1.459 18.114 -6.775 635 H ASN 75 H ASN 75 5.282 14.543 -4.954 636 HA ASN 75 HA ASN 75 6.947 16.900 -4.358 637 HB2 ASN 75 1HB ASN 75 8.897 15.281 -4.331 638 HB3 ASN 75 2HB ASN 75 7.787 15.154 -2.970 639 HD21 ASN 75 1HD2 ASN 75 9.260 13.546 -5.559 640 HD22 ASN 75 2HD2 ASN 75 8.440 12.034 -5.402 641 H ASP 76 H ASP 76 8.043 17.779 -6.022 642 HA ASP 76 HA ASP 76 7.870 16.402 -8.622 643 HB2 ASP 76 1HB ASP 76 7.924 19.368 -8.030 644 HB3 ASP 76 2HB ASP 76 7.943 18.664 -9.644 645 HA PRO 77 HA PRO 77 12.352 16.492 -7.742 646 HB2 PRO 77 1HB PRO 77 12.894 14.290 -9.234 647 HB3 PRO 77 2HB PRO 77 12.322 14.202 -7.564 648 HG2 PRO 77 1HG PRO 77 10.783 13.892 -10.113 649 HG3 PRO 77 2HG PRO 77 10.682 12.938 -8.622 650 HD2 PRO 77 1HD PRO 77 8.893 14.876 -9.234 651 HD3 PRO 77 2HD PRO 77 9.357 14.499 -7.563 652 H SER 78 H SER 78 13.775 17.624 -8.910 653 HA SER 78 HA SER 78 13.212 18.830 -11.324 654 HB2 SER 78 1HB SER 78 15.750 18.293 -9.835 655 HB3 SER 78 2HB SER 78 15.848 18.943 -11.471 656 HG SER 78 HG SER 78 15.707 20.715 -10.230 657 H GLY 79 H GLY 79 12.727 17.848 -13.177 658 HA2 GLY 79 1HA GLY 79 14.653 16.243 -14.532 659 HA3 GLY 79 2HA GLY 79 13.329 15.258 -13.930 660 HA PRO 80 HA PRO 80 12.332 17.676 -17.974 661 HB2 PRO 80 1HB PRO 80 13.173 15.912 -19.858 662 HB3 PRO 80 2HB PRO 80 14.194 17.216 -19.240 663 HG2 PRO 80 1HG PRO 80 14.155 14.320 -18.483 664 HG3 PRO 80 2HG PRO 80 15.545 15.384 -18.765 665 HD2 PRO 80 1HD PRO 80 14.666 14.763 -16.280 666 HD3 PRO 80 2HD PRO 80 15.407 16.329 -16.667 667 H SER 81 H SER 81 11.027 16.627 -19.896 668 HA SER 81 HA SER 81 9.396 14.415 -18.840 669 HB2 SER 81 1HB SER 81 7.393 15.557 -19.820 670 HB3 SER 81 2HB SER 81 8.123 16.437 -18.477 671 HG SER 81 HG SER 81 8.473 18.036 -19.782 672 H SER 82 H SER 82 8.050 13.371 -20.557 673 HA SER 82 HA SER 82 9.268 13.539 -23.221 674 HB2 SER 82 1HB SER 82 10.184 11.623 -21.713 675 HB3 SER 82 2HB SER 82 8.629 10.855 -22.032 676 HG SER 82 HG SER 82 9.233 10.457 -24.014 677 H GLY 83 H GLY 83 7.963 12.332 -24.874 678 HA2 GLY 83 1HA GLY 83 5.924 11.590 -25.749 679 HA3 GLY 83 2HA GLY 83 5.167 11.905 -24.195 Start of MODEL 6 1 H1 GLY 1 H GLY 1 8.144 -19.580 6.880 2 HA2 GLY 1 1HA GLY 1 8.421 -20.662 9.346 3 HA3 GLY 1 2HA GLY 1 7.055 -19.577 9.555 4 H SER 2 H SER 2 5.245 -19.861 7.978 5 HA SER 2 HA SER 2 4.919 -22.718 7.329 6 HB2 SER 2 1HB SER 2 2.817 -20.725 8.212 7 HB3 SER 2 2HB SER 2 2.491 -22.389 7.725 8 HG SER 2 HG SER 2 3.523 -21.407 10.079 9 H SER 3 H SER 3 3.239 -23.105 5.605 10 HA SER 3 HA SER 3 2.975 -20.957 3.658 11 HB2 SER 3 1HB SER 3 3.918 -22.305 1.828 12 HB3 SER 3 2HB SER 3 5.125 -22.001 3.078 13 HG SER 3 HG SER 3 4.281 -24.161 3.907 14 H GLY 4 H GLY 4 1.174 -21.135 2.403 15 HA2 GLY 4 1HA GLY 4 -0.294 -22.955 1.318 16 HA3 GLY 4 2HA GLY 4 -0.563 -23.439 2.986 17 H SER 5 H SER 5 -2.716 -22.831 1.467 18 HA SER 5 HA SER 5 -3.839 -20.611 2.911 19 HB2 SER 5 1HB SER 5 -3.639 -20.456 -0.107 20 HB3 SER 5 2HB SER 5 -4.546 -19.343 0.918 21 HG SER 5 HG SER 5 -2.387 -18.637 0.305 22 H SER 6 H SER 6 -6.066 -20.681 3.007 23 HA SER 6 HA SER 6 -7.602 -22.380 1.271 24 HB2 SER 6 1HB SER 6 -6.498 -23.930 2.994 25 HB3 SER 6 2HB SER 6 -7.561 -23.173 4.180 26 HG SER 6 HG SER 6 -9.003 -24.535 3.513 27 H GLY 7 H GLY 7 -9.535 -21.469 1.039 28 HA2 GLY 7 1HA GLY 7 -11.366 -20.730 2.892 29 HA3 GLY 7 2HA GLY 7 -10.327 -19.316 2.793 30 H LYS 8 H LYS 8 -13.199 -20.030 1.947 31 HA LYS 8 HA LYS 8 -12.989 -19.138 -0.851 32 HB2 LYS 8 1HB LYS 8 -15.308 -20.499 0.532 33 HB3 LYS 8 2HB LYS 8 -15.245 -20.043 -1.165 34 HG2 LYS 8 1HG LYS 8 -13.685 -21.693 -1.678 35 HG3 LYS 8 2HG LYS 8 -13.216 -21.906 0.010 36 HD2 LYS 8 1HD LYS 8 -16.011 -22.503 -0.895 37 HD3 LYS 8 2HD LYS 8 -14.721 -23.689 -1.104 38 HE2 LYS 8 1HE LYS 8 -14.427 -23.961 1.176 39 HE3 LYS 8 2HE LYS 8 -15.146 -22.398 1.558 40 HZ1 LYS 8 1HZ LYS 8 -16.605 -24.796 0.590 41 HZ2 LYS 8 2HZ LYS 8 -17.307 -23.291 0.909 42 HZ3 LYS 8 3HZ LYS 8 -16.625 -24.190 2.169 43 H LYS 9 H LYS 9 -12.994 -16.955 -0.740 44 HA LYS 9 HA LYS 9 -15.447 -15.679 0.122 45 HB2 LYS 9 1HB LYS 9 -13.726 -15.789 2.081 46 HB3 LYS 9 2HB LYS 9 -12.897 -14.517 1.193 47 HG2 LYS 9 1HG LYS 9 -15.039 -13.217 1.241 48 HG3 LYS 9 2HG LYS 9 -15.677 -14.444 2.338 49 HD2 LYS 9 1HD LYS 9 -13.727 -13.981 3.844 50 HD3 LYS 9 2HD LYS 9 -13.316 -12.623 2.792 51 HE2 LYS 9 1HE LYS 9 -16.026 -12.920 4.059 52 HE3 LYS 9 2HE LYS 9 -14.691 -12.106 4.873 53 HZ1 LYS 9 1HZ LYS 9 -14.769 -11.006 2.363 54 HZ2 LYS 9 2HZ LYS 9 -15.319 -10.289 3.793 55 HZ3 LYS 9 3HZ LYS 9 -16.396 -11.143 2.806 56 H ARG 10 H ARG 10 -15.998 -14.230 -1.362 57 HA ARG 10 HA ARG 10 -13.863 -13.007 -2.984 58 HB2 ARG 10 1HB ARG 10 -16.596 -13.989 -3.777 59 HB3 ARG 10 2HB ARG 10 -15.710 -12.831 -4.759 60 HG2 ARG 10 1HG ARG 10 -15.071 -14.760 -5.773 61 HG3 ARG 10 2HG ARG 10 -13.803 -14.641 -4.551 62 HD2 ARG 10 1HD ARG 10 -14.823 -16.254 -3.182 63 HD3 ARG 10 2HD ARG 10 -16.357 -16.135 -4.044 64 HE ARG 10 HE ARG 10 -14.413 -17.006 -5.849 65 HH11 ARG 10 2HH1 ARG 10 -16.044 -18.125 -2.984 66 HH12 ARG 10 1HH1 ARG 10 -15.918 -19.800 -3.409 67 HH21 ARG 10 2HH2 ARG 10 -14.241 -19.208 -6.419 68 HH22 ARG 10 1HH2 ARG 10 -14.892 -20.415 -5.363 69 H LYS 11 H LYS 11 -14.746 -10.960 -4.135 70 HA LYS 11 HA LYS 11 -15.139 -8.733 -3.720 71 HB2 LYS 11 1HB LYS 11 -17.525 -8.262 -3.350 72 HB3 LYS 11 2HB LYS 11 -17.288 -9.516 -4.560 73 HG2 LYS 11 1HG LYS 11 -17.839 -11.227 -2.932 74 HG3 LYS 11 2HG LYS 11 -18.013 -9.998 -1.676 75 HD2 LYS 11 1HD LYS 11 -19.947 -9.109 -2.657 76 HD3 LYS 11 2HD LYS 11 -19.633 -9.901 -4.203 77 HE2 LYS 11 1HE LYS 11 -20.085 -12.071 -3.202 78 HE3 LYS 11 2HE LYS 11 -20.333 -11.313 -1.630 79 HZ1 LYS 11 1HZ LYS 11 -22.199 -11.707 -3.684 80 HZ2 LYS 11 2HZ LYS 11 -22.000 -10.040 -3.474 81 HZ3 LYS 11 3HZ LYS 11 -22.445 -11.010 -2.162 82 H GLY 12 H GLY 12 -13.783 -9.902 -1.553 83 HA2 GLY 12 1HA GLY 12 -15.028 -8.507 0.736 84 HA3 GLY 12 2HA GLY 12 -14.044 -9.953 0.902 85 H ASN 13 H ASN 13 -13.868 -7.038 1.858 86 HA ASN 13 HA ASN 13 -11.338 -6.200 0.703 87 HB2 ASN 13 1HB ASN 13 -12.961 -4.960 2.937 88 HB3 ASN 13 2HB ASN 13 -11.574 -4.227 2.138 89 HD21 ASN 13 1HD2 ASN 13 -11.777 -3.860 -0.198 90 HD22 ASN 13 2HD2 ASN 13 -13.324 -3.418 -0.827 91 H LEU 14 H LEU 14 -9.672 -5.368 2.388 92 HA LEU 14 HA LEU 14 -9.207 -7.563 4.291 93 HB2 LEU 14 1HB LEU 14 -7.106 -5.650 3.342 94 HB3 LEU 14 2HB LEU 14 -6.907 -7.266 4.018 95 HG LEU 14 HG LEU 14 -8.200 -6.829 1.342 96 HD11 LEU 14 1HD1 LEU 14 -5.687 -7.655 0.741 97 HD12 LEU 14 2HD1 LEU 14 -5.375 -6.549 2.079 98 HD13 LEU 14 3HD1 LEU 14 -6.241 -5.983 0.651 99 HD21 LEU 14 1HD2 LEU 14 -8.260 -9.052 1.237 100 HD22 LEU 14 2HD2 LEU 14 -7.873 -9.054 2.958 101 HD23 LEU 14 3HD2 LEU 14 -6.583 -9.197 1.764 102 HA PRO 15 HA PRO 15 -9.514 -4.837 7.722 103 HB2 PRO 15 1HB PRO 15 -7.778 -6.012 9.446 104 HB3 PRO 15 2HB PRO 15 -9.356 -6.704 9.052 105 HG2 PRO 15 1HG PRO 15 -6.655 -7.407 7.969 106 HG3 PRO 15 2HG PRO 15 -7.976 -8.481 8.465 107 HD2 PRO 15 1HD PRO 15 -7.485 -7.879 5.872 108 HD3 PRO 15 2HD PRO 15 -9.120 -8.196 6.485 109 H ALA 16 H ALA 16 -8.619 -2.961 8.374 110 HA ALA 16 HA ALA 16 -6.675 -1.595 7.188 111 HB1 ALA 16 1HB ALA 16 -6.611 -1.390 10.151 112 HB2 ALA 16 2HB ALA 16 -6.697 -0.121 8.929 113 HB3 ALA 16 3HB ALA 16 -8.135 -1.061 9.326 114 H GLU 17 H GLU 17 -5.880 -3.240 10.254 115 HA GLU 17 HA GLU 17 -3.227 -3.051 10.365 116 HB2 GLU 17 1HB GLU 17 -3.963 -4.374 12.067 117 HB3 GLU 17 2HB GLU 17 -5.080 -5.260 11.038 118 HG2 GLU 17 1HG GLU 17 -3.407 -6.773 11.782 119 HG3 GLU 17 2HG GLU 17 -3.132 -6.464 10.068 120 H SER 18 H SER 18 -4.903 -5.409 8.303 121 HA SER 18 HA SER 18 -2.480 -6.408 7.153 122 HB2 SER 18 1HB SER 18 -5.403 -6.779 6.554 123 HB3 SER 18 2HB SER 18 -4.174 -7.405 5.456 124 HG SER 18 HG SER 18 -4.828 -8.202 8.047 125 H VAL 19 H VAL 19 -4.941 -4.072 6.191 126 HA VAL 19 HA VAL 19 -4.125 -3.643 3.553 127 HB VAL 19 HB VAL 19 -5.250 -1.526 5.385 128 HG11 VAL 19 1HG1 VAL 19 -5.701 -1.876 2.434 129 HG12 VAL 19 2HG1 VAL 19 -6.036 -0.462 3.436 130 HG13 VAL 19 3HG1 VAL 19 -4.369 -0.918 3.081 131 HG21 VAL 19 1HG2 VAL 19 -7.404 -2.488 4.071 132 HG22 VAL 19 2HG2 VAL 19 -6.468 -3.968 4.276 133 HG23 VAL 19 3HG2 VAL 19 -6.923 -3.011 5.685 134 H LYS 20 H LYS 20 -3.245 -1.828 6.491 135 HA LYS 20 HA LYS 20 -1.617 0.101 5.574 136 HB2 LYS 20 1HB LYS 20 -1.999 -0.318 7.960 137 HB3 LYS 20 2HB LYS 20 -0.969 -1.741 7.883 138 HG2 LYS 20 1HG LYS 20 0.833 -0.067 7.047 139 HG3 LYS 20 2HG LYS 20 -0.220 1.145 7.779 140 HD2 LYS 20 1HD LYS 20 -0.157 -0.257 9.883 141 HD3 LYS 20 2HD LYS 20 1.132 -1.189 9.118 142 HE2 LYS 20 1HE LYS 20 2.468 0.846 8.891 143 HE3 LYS 20 2HE LYS 20 1.177 1.782 9.641 144 HZ1 LYS 20 1HZ LYS 20 2.740 -0.391 10.926 145 HZ2 LYS 20 2HZ LYS 20 1.453 0.433 11.650 146 HZ3 LYS 20 3HZ LYS 20 2.871 1.264 11.252 147 H ILE 21 H ILE 21 -0.760 -3.320 5.801 148 HA ILE 21 HA ILE 21 1.944 -3.099 5.100 149 HB ILE 21 HB ILE 21 -0.021 -5.350 4.707 150 HG12 ILE 21 1HG1 ILE 21 1.740 -6.271 6.485 151 HG13 ILE 21 2HG1 ILE 21 1.958 -4.551 6.788 152 HG21 ILE 21 1HG2 ILE 21 2.755 -5.058 3.756 153 HG22 ILE 21 2HG2 ILE 21 2.365 -6.580 4.555 154 HG23 ILE 21 3HG2 ILE 21 1.443 -6.065 3.143 155 HD11 ILE 21 1HD1 ILE 21 0.150 -4.541 8.052 156 HD12 ILE 21 2HD1 ILE 21 -0.826 -5.098 6.693 157 HD13 ILE 21 3HD1 ILE 21 -0.055 -6.268 7.763 158 H LEU 22 H LEU 22 -0.952 -3.475 3.098 159 HA LEU 22 HA LEU 22 0.535 -3.576 0.643 160 HB2 LEU 22 1HB LEU 22 -2.406 -3.124 1.125 161 HB3 LEU 22 2HB LEU 22 -1.661 -3.463 -0.436 162 HG LEU 22 HG LEU 22 -1.791 -5.347 1.918 163 HD11 LEU 22 1HD1 LEU 22 -3.152 -6.650 0.144 164 HD12 LEU 22 2HD1 LEU 22 -3.369 -5.070 -0.607 165 HD13 LEU 22 3HD1 LEU 22 -3.932 -5.347 1.041 166 HD21 LEU 22 1HD2 LEU 22 0.262 -5.587 0.565 167 HD22 LEU 22 2HD2 LEU 22 -0.738 -5.820 -0.869 168 HD23 LEU 22 3HD2 LEU 22 -0.802 -6.988 0.452 169 H ARG 23 H ARG 23 -1.488 -1.154 2.274 170 HA ARG 23 HA ARG 23 -1.375 0.856 0.364 171 HB2 ARG 23 1HB ARG 23 -1.722 0.829 3.333 172 HB3 ARG 23 2HB ARG 23 -1.492 2.372 2.520 173 HG2 ARG 23 1HG ARG 23 -3.456 2.083 1.225 174 HG3 ARG 23 2HG ARG 23 -3.612 0.397 1.722 175 HD2 ARG 23 1HD ARG 23 -4.273 0.975 3.887 176 HD3 ARG 23 2HD ARG 23 -3.657 2.619 3.733 177 HE ARG 23 HE ARG 23 -6.218 1.624 2.838 178 HH11 ARG 23 2HH1 ARG 23 -3.833 4.149 2.594 179 HH12 ARG 23 1HH1 ARG 23 -4.955 5.331 2.005 180 HH21 ARG 23 2HH2 ARG 23 -7.704 3.171 2.063 181 HH22 ARG 23 1HH2 ARG 23 -7.157 4.774 1.704 182 H ASP 24 H ASP 24 0.751 0.443 3.198 183 HA ASP 24 HA ASP 24 2.477 2.534 2.809 184 HB2 ASP 24 1HB ASP 24 2.407 0.601 4.612 185 HB3 ASP 24 2HB ASP 24 3.646 -0.107 3.579 186 H TRP 25 H TRP 25 2.499 -0.607 1.202 187 HA TRP 25 HA TRP 25 4.927 -0.090 -0.236 188 HB2 TRP 25 1HB TRP 25 4.354 -2.380 0.239 189 HB3 TRP 25 2HB TRP 25 2.791 -2.205 -0.554 190 HD1 TRP 25 HD TRP 25 6.400 -3.019 -1.248 191 HE1 TRP 25 1HE TRP 25 6.693 -3.568 -3.745 192 HE3 TRP 25 3HE TRP 25 1.818 -1.523 -2.951 193 HZ2 TRP 25 2HZ TRP 25 5.182 -3.390 -6.123 194 HZ3 TRP 25 3HZ TRP 25 1.321 -1.745 -5.351 195 HH2 TRP 25 HH TRP 25 2.970 -2.659 -6.903 196 H MET 26 H MET 26 1.474 0.107 -0.941 197 HA MET 26 HA MET 26 1.644 0.584 -3.694 198 HB2 MET 26 1HB MET 26 -0.468 0.056 -2.617 199 HB3 MET 26 2HB MET 26 -0.402 1.547 -1.688 200 HG2 MET 26 1HG MET 26 -1.852 2.127 -3.354 201 HG3 MET 26 2HG MET 26 -0.321 2.674 -4.034 202 HE1 MET 26 1HE MET 26 -3.126 1.446 -6.354 203 HE2 MET 26 2HE MET 26 -3.404 -0.013 -5.402 204 HE3 MET 26 3HE MET 26 -3.336 1.560 -4.606 205 H TYR 27 H TYR 27 2.281 2.634 -0.976 206 HA TYR 27 HA TYR 27 2.028 5.131 -2.310 207 HB2 TYR 27 1HB TYR 27 2.012 4.795 0.184 208 HB3 TYR 27 2HB TYR 27 3.748 4.516 0.098 209 HD1 TYR 27 2HD TYR 27 1.461 7.044 -1.445 210 HD2 TYR 27 1HD TYR 27 4.908 6.318 0.941 211 HE1 TYR 27 2HE TYR 27 1.852 9.467 -1.284 212 HE2 TYR 27 1HE TYR 27 5.308 8.739 1.110 213 HH TYR 27 HH TYR 27 4.134 10.818 0.899 214 H LYS 28 H LYS 28 4.914 3.276 -1.329 215 HA LYS 28 HA LYS 28 6.800 4.887 -2.611 216 HB2 LYS 28 1HB LYS 28 6.867 1.938 -1.957 217 HB3 LYS 28 2HB LYS 28 8.261 2.842 -2.533 218 HG2 LYS 28 1HG LYS 28 7.920 4.369 -0.543 219 HG3 LYS 28 2HG LYS 28 6.786 3.159 0.062 220 HD2 LYS 28 1HD LYS 28 8.717 1.489 -0.305 221 HD3 LYS 28 2HD LYS 28 9.744 2.922 -0.378 222 HE2 LYS 28 1HE LYS 28 9.328 3.486 1.832 223 HE3 LYS 28 2HE LYS 28 7.833 2.555 1.893 224 HZ1 LYS 28 1HZ LYS 28 8.952 0.840 2.692 225 HZ2 LYS 28 2HZ LYS 28 10.374 1.757 2.699 226 HZ3 LYS 28 3HZ LYS 28 9.977 0.822 1.346 227 H HIS 29 H HIS 29 4.919 2.153 -3.803 228 HA HIS 29 HA HIS 29 6.159 2.424 -6.443 229 HB2 HIS 29 1HB HIS 29 4.209 0.335 -5.448 230 HB3 HIS 29 2HB HIS 29 5.067 0.311 -6.987 231 HD1 HIS 29 1HD HIS 29 7.655 -0.154 -6.880 232 HD2 HIS 29 2HD HIS 29 5.631 -0.617 -3.281 233 HE1 HIS 29 1HE HIS 29 9.229 -1.419 -5.381 234 HE2 HIS 29 2HE HIS 29 7.951 -1.761 -3.238 235 H ARG 30 H ARG 30 3.767 3.898 -4.868 236 HA ARG 30 HA ARG 30 1.398 3.785 -6.108 237 HB2 ARG 30 1HB ARG 30 1.092 6.133 -5.716 238 HB3 ARG 30 2HB ARG 30 2.079 5.488 -4.411 239 HG2 ARG 30 1HG ARG 30 4.092 6.339 -5.587 240 HG3 ARG 30 2HG ARG 30 3.025 7.095 -6.773 241 HD2 ARG 30 1HD ARG 30 2.144 8.586 -5.199 242 HD3 ARG 30 2HD ARG 30 2.725 7.629 -3.837 243 HE ARG 30 HE ARG 30 5.020 8.347 -4.991 244 HH11 ARG 30 2HH1 ARG 30 2.182 10.198 -4.192 245 HH12 ARG 30 1HH1 ARG 30 3.056 11.672 -3.936 246 HH21 ARG 30 2HH2 ARG 30 6.182 10.281 -4.657 247 HH22 ARG 30 1HH2 ARG 30 5.331 11.718 -4.201 248 H PHE 31 H PHE 31 4.313 5.218 -7.503 249 HA PHE 31 HA PHE 31 3.467 6.471 -9.727 250 HB2 PHE 31 1HB PHE 31 5.812 4.718 -9.193 251 HB3 PHE 31 2HB PHE 31 5.502 5.168 -10.867 252 HD1 PHE 31 2HD PHE 31 4.770 7.311 -7.963 253 HD2 PHE 31 1HD PHE 31 7.423 6.516 -11.195 254 HE1 PHE 31 2HE PHE 31 5.878 9.474 -7.581 255 HE2 PHE 31 1HE PHE 31 8.536 8.678 -10.817 256 HZ PHE 31 HZ PHE 31 7.763 10.161 -9.010 257 H LYS 32 H LYS 32 4.265 2.996 -9.848 258 HA LYS 32 HA LYS 32 2.646 2.678 -12.227 259 HB2 LYS 32 1HB LYS 32 3.513 0.431 -12.310 260 HB3 LYS 32 2HB LYS 32 4.839 1.532 -11.959 261 HG2 LYS 32 1HG LYS 32 4.355 0.939 -9.487 262 HG3 LYS 32 2HG LYS 32 3.505 -0.451 -10.167 263 HD2 LYS 32 1HD LYS 32 5.588 -1.358 -9.936 264 HD3 LYS 32 2HD LYS 32 5.747 -0.678 -11.558 265 HE2 LYS 32 1HE LYS 32 6.781 1.332 -10.596 266 HE3 LYS 32 2HE LYS 32 6.642 0.626 -8.987 267 HZ1 LYS 32 1HZ LYS 32 8.677 0.257 -10.888 268 HZ2 LYS 32 2HZ LYS 32 7.928 -1.234 -10.614 269 HZ3 LYS 32 3HZ LYS 32 8.578 -0.364 -9.317 270 H ALA 33 H ALA 33 2.586 1.625 -8.852 271 HA ALA 33 HA ALA 33 0.896 0.864 -7.529 272 HB1 ALA 33 1HB ALA 33 -1.082 1.889 -7.782 273 HB2 ALA 33 2HB ALA 33 -0.289 2.733 -9.112 274 HB3 ALA 33 3HB ALA 33 -1.282 1.312 -9.437 275 H TYR 34 H TYR 34 2.233 -1.063 -8.856 276 HA TYR 34 HA TYR 34 0.255 -3.143 -9.055 277 HB2 TYR 34 1HB TYR 34 1.822 -2.267 -11.476 278 HB3 TYR 34 2HB TYR 34 1.163 -3.892 -11.328 279 HD1 TYR 34 1HD TYR 34 -1.416 -3.959 -10.686 280 HD2 TYR 34 2HD TYR 34 0.543 -0.671 -12.545 281 HE1 TYR 34 1HE TYR 34 -3.579 -3.165 -11.547 282 HE2 TYR 34 2HE TYR 34 -1.615 0.133 -13.410 283 HH TYR 34 HH TYR 34 -4.624 -1.202 -12.370 284 HA PRO 35 HA PRO 35 3.997 -4.783 -7.143 285 HB2 PRO 35 1HB PRO 35 2.734 -6.878 -5.965 286 HB3 PRO 35 2HB PRO 35 2.715 -5.244 -5.292 287 HG2 PRO 35 1HG PRO 35 0.632 -6.646 -6.921 288 HG3 PRO 35 2HG PRO 35 0.430 -5.631 -5.481 289 HD2 PRO 35 1HD PRO 35 -0.013 -4.708 -7.988 290 HD3 PRO 35 2HD PRO 35 0.602 -3.672 -6.684 291 H SER 36 H SER 36 5.036 -6.945 -7.201 292 HA SER 36 HA SER 36 4.419 -8.308 -9.736 293 HB2 SER 36 1HB SER 36 6.653 -7.177 -9.549 294 HB3 SER 36 2HB SER 36 7.055 -8.300 -8.250 295 HG SER 36 HG SER 36 7.453 -9.771 -9.690 296 H GLU 37 H GLU 37 4.652 -10.604 -9.841 297 HA GLU 37 HA GLU 37 3.313 -12.099 -8.055 298 HB2 GLU 37 1HB GLU 37 4.532 -12.726 -10.316 299 HB3 GLU 37 2HB GLU 37 5.752 -13.364 -9.224 300 HG2 GLU 37 1HG GLU 37 3.758 -14.577 -8.103 301 HG3 GLU 37 2HG GLU 37 2.929 -14.245 -9.623 302 H GLU 38 H GLU 38 6.548 -10.917 -7.668 303 HA GLU 38 HA GLU 38 7.154 -12.650 -5.434 304 HB2 GLU 38 1HB GLU 38 8.586 -10.498 -6.919 305 HB3 GLU 38 2HB GLU 38 9.111 -10.862 -5.281 306 HG2 GLU 38 1HG GLU 38 8.822 -12.986 -7.380 307 HG3 GLU 38 2HG GLU 38 10.304 -12.054 -7.171 308 H GLU 39 H GLU 39 6.364 -9.232 -5.941 309 HA GLU 39 HA GLU 39 6.604 -8.398 -3.275 310 HB2 GLU 39 1HB GLU 39 4.712 -7.311 -5.367 311 HB3 GLU 39 2HB GLU 39 5.265 -6.474 -3.923 312 HG2 GLU 39 1HG GLU 39 7.254 -7.446 -5.920 313 HG3 GLU 39 2HG GLU 39 6.349 -5.965 -6.227 314 H LYS 40 H LYS 40 3.668 -9.301 -5.086 315 HA LYS 40 HA LYS 40 1.809 -9.089 -3.072 316 HB2 LYS 40 1HB LYS 40 1.580 -11.459 -4.853 317 HB3 LYS 40 2HB LYS 40 0.378 -10.243 -4.440 318 HG2 LYS 40 1HG LYS 40 1.810 -8.648 -5.860 319 HG3 LYS 40 2HG LYS 40 2.549 -10.120 -6.496 320 HD2 LYS 40 1HD LYS 40 0.244 -10.927 -7.060 321 HD3 LYS 40 2HD LYS 40 -0.359 -9.329 -6.611 322 HE2 LYS 40 1HE LYS 40 0.906 -8.288 -8.349 323 HE3 LYS 40 2HE LYS 40 1.769 -9.786 -8.695 324 HZ1 LYS 40 1HZ LYS 40 0.224 -10.075 -10.256 325 HZ2 LYS 40 2HZ LYS 40 -0.813 -8.910 -9.603 326 HZ3 LYS 40 3HZ LYS 40 -0.827 -10.490 -8.996 327 H GLN 41 H GLN 41 3.462 -12.118 -3.991 328 HA GLN 41 HA GLN 41 2.556 -13.725 -1.952 329 HB2 GLN 41 1HB GLN 41 4.152 -14.198 -3.990 330 HB3 GLN 41 2HB GLN 41 5.417 -13.947 -2.794 331 HG2 GLN 41 1HG GLN 41 4.670 -16.330 -3.192 332 HG3 GLN 41 2HG GLN 41 4.732 -15.783 -1.517 333 HE21 GLN 41 1HE2 GLN 41 2.855 -15.588 -0.354 334 HE22 GLN 41 2HE2 GLN 41 1.331 -16.177 -0.916 335 H MET 42 H MET 42 5.189 -11.387 -1.889 336 HA MET 42 HA MET 42 6.218 -12.098 0.646 337 HB2 MET 42 1HB MET 42 7.625 -10.802 -0.739 338 HB3 MET 42 2HB MET 42 6.377 -9.595 -1.018 339 HG2 MET 42 1HG MET 42 6.537 -9.091 1.470 340 HG3 MET 42 2HG MET 42 8.018 -10.045 1.449 341 HE1 MET 42 1HE MET 42 6.019 -7.408 -0.192 342 HE2 MET 42 2HE MET 42 7.091 -6.013 -0.318 343 HE3 MET 42 3HE MET 42 7.053 -7.216 -1.608 344 H LEU 43 H LEU 43 4.036 -9.453 -0.330 345 HA LEU 43 HA LEU 43 3.544 -8.476 2.249 346 HB2 LEU 43 1HB LEU 43 1.629 -8.413 -0.073 347 HB3 LEU 43 2HB LEU 43 1.676 -7.309 1.301 348 HG LEU 43 HG LEU 43 4.043 -7.479 -0.511 349 HD11 LEU 43 1HD1 LEU 43 1.814 -7.228 -1.811 350 HD12 LEU 43 2HD1 LEU 43 3.145 -6.122 -2.149 351 HD13 LEU 43 3HD1 LEU 43 1.803 -5.601 -1.130 352 HD21 LEU 43 1HD2 LEU 43 3.587 -4.872 0.120 353 HD22 LEU 43 2HD2 LEU 43 4.627 -5.963 1.035 354 HD23 LEU 43 3HD2 LEU 43 2.960 -5.697 1.548 355 H SER 44 H SER 44 1.958 -10.999 0.368 356 HA SER 44 HA SER 44 -0.305 -11.420 1.911 357 HB2 SER 44 1HB SER 44 -0.259 -12.641 -0.075 358 HB3 SER 44 2HB SER 44 1.381 -13.226 0.205 359 HG SER 44 HG SER 44 0.589 -14.618 1.766 360 H GLU 45 H GLU 45 3.007 -12.195 2.580 361 HA GLU 45 HA GLU 45 2.474 -14.101 4.649 362 HB2 GLU 45 1HB GLU 45 4.926 -12.586 3.787 363 HB3 GLU 45 2HB GLU 45 4.931 -13.588 5.231 364 HG2 GLU 45 1HG GLU 45 4.048 -14.701 2.600 365 HG3 GLU 45 2HG GLU 45 5.758 -14.589 3.011 366 H LYS 46 H LYS 46 3.167 -10.643 4.530 367 HA LYS 46 HA LYS 46 3.216 -10.355 7.390 368 HB2 LYS 46 1HB LYS 46 3.279 -8.439 5.077 369 HB3 LYS 46 2HB LYS 46 3.071 -7.853 6.722 370 HG2 LYS 46 1HG LYS 46 5.344 -7.686 6.445 371 HG3 LYS 46 2HG LYS 46 5.195 -9.269 7.213 372 HD2 LYS 46 1HD LYS 46 5.445 -10.386 5.113 373 HD3 LYS 46 2HD LYS 46 5.342 -8.862 4.229 374 HE2 LYS 46 1HE LYS 46 7.436 -8.126 5.209 375 HE3 LYS 46 2HE LYS 46 7.524 -9.595 6.180 376 HZ1 LYS 46 1HZ LYS 46 7.384 -10.733 3.860 377 HZ2 LYS 46 2HZ LYS 46 8.862 -10.133 4.423 378 HZ3 LYS 46 3HZ LYS 46 7.961 -9.245 3.299 379 H THR 47 H THR 47 0.830 -10.184 4.877 380 HA THR 47 HA THR 47 -1.141 -9.045 6.727 381 HB THR 47 HB THR 47 -2.598 -8.791 4.767 382 HG1 THR 47 1HG THR 47 -0.555 -10.286 3.575 383 HG21 THR 47 1HG2 THR 47 -1.409 -7.013 3.699 384 HG22 THR 47 2HG2 THR 47 0.148 -7.708 4.150 385 HG23 THR 47 3HG2 THR 47 -0.912 -7.039 5.390 386 H ASN 48 H ASN 48 -0.173 -11.997 5.274 387 HA ASN 48 HA ASN 48 -0.931 -14.132 5.496 388 HB2 ASN 48 1HB ASN 48 -1.439 -13.137 7.886 389 HB3 ASN 48 2HB ASN 48 -3.113 -13.285 7.358 390 HD21 ASN 48 1HD2 ASN 48 -3.066 -14.759 9.268 391 HD22 ASN 48 2HD2 ASN 48 -2.667 -16.416 8.979 392 H LEU 49 H LEU 49 -1.959 -12.432 3.451 393 HA LEU 49 HA LEU 49 -4.737 -13.344 3.177 394 HB2 LEU 49 1HB LEU 49 -3.324 -11.358 1.421 395 HB3 LEU 49 2HB LEU 49 -5.058 -11.634 1.574 396 HG LEU 49 HG LEU 49 -3.386 -10.545 3.827 397 HD11 LEU 49 1HD1 LEU 49 -4.590 -9.157 1.478 398 HD12 LEU 49 2HD1 LEU 49 -3.059 -8.859 2.300 399 HD13 LEU 49 3HD1 LEU 49 -4.574 -8.354 3.048 400 HD21 LEU 49 1HD2 LEU 49 -5.285 -10.562 4.977 401 HD22 LEU 49 2HD2 LEU 49 -6.026 -11.462 3.653 402 HD23 LEU 49 3HD2 LEU 49 -6.130 -9.702 3.690 403 H SER 50 H SER 50 -5.165 -13.444 0.563 404 HA SER 50 HA SER 50 -3.326 -15.546 -0.365 405 HB2 SER 50 1HB SER 50 -6.273 -15.100 -0.817 406 HB3 SER 50 2HB SER 50 -5.330 -16.176 -1.849 407 HG SER 50 HG SER 50 -5.875 -16.402 0.912 408 H LEU 51 H LEU 51 -2.307 -15.354 -2.277 409 HA LEU 51 HA LEU 51 -1.663 -13.070 -3.496 410 HB2 LEU 51 1HB LEU 51 -2.149 -15.758 -4.740 411 HB3 LEU 51 2HB LEU 51 -1.514 -14.404 -5.672 412 HG LEU 51 HG LEU 51 -0.201 -15.698 -3.283 413 HD11 LEU 51 1HD1 LEU 51 0.459 -17.174 -4.824 414 HD12 LEU 51 2HD1 LEU 51 1.501 -15.881 -5.419 415 HD13 LEU 51 3HD1 LEU 51 -0.075 -16.157 -6.162 416 HD21 LEU 51 1HD2 LEU 51 0.656 -13.613 -3.078 417 HD22 LEU 51 2HD2 LEU 51 0.313 -13.184 -4.754 418 HD23 LEU 51 3HD2 LEU 51 1.716 -14.182 -4.368 419 H LEU 52 H LEU 52 -4.610 -14.903 -4.171 420 HA LEU 52 HA LEU 52 -5.541 -13.337 -6.309 421 HB2 LEU 52 1HB LEU 52 -6.575 -15.411 -6.014 422 HB3 LEU 52 2HB LEU 52 -6.884 -15.115 -4.305 423 HG LEU 52 HG LEU 52 -8.561 -13.384 -5.004 424 HD11 LEU 52 1HD1 LEU 52 -9.431 -13.702 -7.358 425 HD12 LEU 52 2HD1 LEU 52 -7.912 -14.526 -7.707 426 HD13 LEU 52 3HD1 LEU 52 -7.902 -12.837 -7.199 427 HD21 LEU 52 1HD2 LEU 52 -9.214 -15.633 -4.296 428 HD22 LEU 52 2HD2 LEU 52 -9.047 -16.205 -5.956 429 HD23 LEU 52 3HD2 LEU 52 -10.285 -15.015 -5.553 430 H GLN 53 H GLN 53 -6.154 -13.118 -2.819 431 HA GLN 53 HA GLN 53 -7.923 -10.916 -2.980 432 HB2 GLN 53 1HB GLN 53 -6.249 -12.025 -0.731 433 HB3 GLN 53 2HB GLN 53 -7.320 -10.646 -0.521 434 HG2 GLN 53 1HG GLN 53 -9.238 -11.966 -1.044 435 HG3 GLN 53 2HG GLN 53 -8.230 -13.336 -1.509 436 HE21 GLN 53 1HE2 GLN 53 -8.493 -11.148 1.278 437 HE22 GLN 53 2HE2 GLN 53 -8.485 -12.395 2.473 438 H ILE 54 H ILE 54 -4.432 -11.184 -2.600 439 HA ILE 54 HA ILE 54 -3.812 -8.566 -1.915 440 HB ILE 54 HB ILE 54 -2.245 -10.476 -3.652 441 HG12 ILE 54 1HG1 ILE 54 -2.668 -11.328 -1.404 442 HG13 ILE 54 2HG1 ILE 54 -0.972 -10.888 -1.574 443 HG21 ILE 54 1HG2 ILE 54 -1.076 -8.611 -4.145 444 HG22 ILE 54 2HG2 ILE 54 -1.695 -7.725 -2.753 445 HG23 ILE 54 3HG2 ILE 54 -0.378 -8.880 -2.548 446 HD11 ILE 54 1HD1 ILE 54 -1.601 -10.108 0.533 447 HD12 ILE 54 2HD1 ILE 54 -1.614 -8.675 -0.496 448 HD13 ILE 54 3HD1 ILE 54 -3.130 -9.465 -0.063 449 H SER 55 H SER 55 -3.482 -9.893 -5.210 450 HA SER 55 HA SER 55 -3.227 -7.451 -6.510 451 HB2 SER 55 1HB SER 55 -3.977 -10.208 -7.349 452 HB3 SER 55 2HB SER 55 -4.311 -8.897 -8.480 453 HG SER 55 HG SER 55 -2.046 -8.289 -8.135 454 H ASN 56 H ASN 56 -6.158 -9.424 -6.069 455 HA ASN 56 HA ASN 56 -8.006 -7.906 -7.392 456 HB2 ASN 56 1HB ASN 56 -8.142 -9.625 -4.956 457 HB3 ASN 56 2HB ASN 56 -9.547 -8.642 -5.358 458 HD21 ASN 56 1HD2 ASN 56 -9.996 -11.215 -5.360 459 HD22 ASN 56 2HD2 ASN 56 -10.086 -11.865 -6.958 460 H TRP 57 H TRP 57 -6.822 -7.405 -4.087 461 HA TRP 57 HA TRP 57 -8.479 -5.220 -3.461 462 HB2 TRP 57 1HB TRP 57 -7.359 -6.345 -1.677 463 HB3 TRP 57 2HB TRP 57 -5.780 -6.070 -2.408 464 HD1 TRP 57 HD TRP 57 -8.461 -4.330 -0.325 465 HE1 TRP 57 1HE TRP 57 -7.483 -2.150 0.632 466 HE3 TRP 57 3HE TRP 57 -4.030 -4.242 -2.874 467 HZ2 TRP 57 2HZ TRP 57 -5.143 -0.598 0.344 468 HZ3 TRP 57 3HZ TRP 57 -2.478 -2.374 -2.476 469 HH2 TRP 57 HH TRP 57 -3.025 -0.591 -0.900 470 H PHE 58 H PHE 58 -5.044 -5.222 -4.436 471 HA PHE 58 HA PHE 58 -4.544 -2.563 -4.611 472 HB2 PHE 58 1HB PHE 58 -3.609 -4.908 -6.190 473 HB3 PHE 58 2HB PHE 58 -3.213 -3.306 -6.803 474 HD1 PHE 58 2HD PHE 58 -1.990 -1.706 -5.263 475 HD2 PHE 58 1HD PHE 58 -2.375 -5.869 -4.464 476 HE1 PHE 58 2HE PHE 58 -0.091 -1.579 -3.704 477 HE2 PHE 58 1HE PHE 58 -0.476 -5.748 -2.903 478 HZ PHE 58 HZ PHE 58 0.669 -3.601 -2.522 479 H ILE 59 H ILE 59 -6.372 -4.501 -6.914 480 HA ILE 59 HA ILE 59 -6.602 -2.719 -9.018 481 HB ILE 59 HB ILE 59 -8.671 -4.654 -7.972 482 HG12 ILE 59 1HG1 ILE 59 -6.672 -4.894 -10.231 483 HG13 ILE 59 2HG1 ILE 59 -6.521 -5.663 -8.656 484 HG21 ILE 59 1HG2 ILE 59 -9.606 -2.836 -9.407 485 HG22 ILE 59 2HG2 ILE 59 -8.552 -3.395 -10.705 486 HG23 ILE 59 3HG2 ILE 59 -9.804 -4.460 -10.065 487 HD11 ILE 59 1HD1 ILE 59 -8.544 -6.228 -10.800 488 HD12 ILE 59 2HD1 ILE 59 -7.309 -7.307 -10.150 489 HD13 ILE 59 3HD1 ILE 59 -8.686 -6.840 -9.152 490 H ASN 60 H ASN 60 -9.252 -3.235 -6.695 491 HA ASN 60 HA ASN 60 -10.561 -0.829 -7.282 492 HB2 ASN 60 1HB ASN 60 -10.806 -2.065 -4.567 493 HB3 ASN 60 2HB ASN 60 -12.060 -1.393 -5.606 494 HD21 ASN 60 1HD2 ASN 60 -12.944 -2.652 -7.230 495 HD22 ASN 60 2HD2 ASN 60 -12.724 -4.365 -7.293 496 H ALA 61 H ALA 61 -8.277 -1.652 -4.701 497 HA ALA 61 HA ALA 61 -8.382 0.781 -3.313 498 HB1 ALA 61 1HB ALA 61 -6.946 -0.249 -1.967 499 HB2 ALA 61 2HB ALA 61 -6.980 -1.616 -3.081 500 HB3 ALA 61 3HB ALA 61 -5.740 -0.372 -3.249 501 H ARG 62 H ARG 62 -6.870 -0.079 -6.299 502 HA ARG 62 HA ARG 62 -5.011 2.117 -6.322 503 HB2 ARG 62 1HB ARG 62 -4.405 0.146 -7.547 504 HB3 ARG 62 2HB ARG 62 -5.914 0.177 -8.451 505 HG2 ARG 62 1HG ARG 62 -5.226 2.205 -9.586 506 HG3 ARG 62 2HG ARG 62 -3.739 2.251 -8.637 507 HD2 ARG 62 1HD ARG 62 -3.088 0.079 -9.604 508 HD3 ARG 62 2HD ARG 62 -4.550 0.100 -10.590 509 HE ARG 62 HE ARG 62 -2.120 1.457 -11.134 510 HH11 ARG 62 2HH1 ARG 62 -5.576 1.773 -11.402 511 HH12 ARG 62 1HH1 ARG 62 -5.504 2.836 -12.768 512 HH21 ARG 62 2HH2 ARG 62 -2.011 2.855 -12.933 513 HH22 ARG 62 1HH2 ARG 62 -3.476 3.450 -13.639 514 H ARG 63 H ARG 63 -8.307 1.887 -6.735 515 HA ARG 63 HA ARG 63 -8.418 4.148 -8.607 516 HB2 ARG 63 1HB ARG 63 -10.542 2.205 -7.691 517 HB3 ARG 63 2HB ARG 63 -10.872 3.606 -8.702 518 HG2 ARG 63 1HG ARG 63 -9.609 2.730 -10.496 519 HG3 ARG 63 2HG ARG 63 -8.908 1.470 -9.477 520 HD2 ARG 63 1HD ARG 63 -11.003 0.344 -9.302 521 HD3 ARG 63 2HD ARG 63 -11.853 1.687 -10.065 522 HE ARG 63 HE ARG 63 -9.820 0.514 -11.724 523 HH11 ARG 63 2HH1 ARG 63 -13.142 0.326 -10.702 524 HH12 ARG 63 1HH1 ARG 63 -13.670 -0.504 -12.128 525 HH21 ARG 63 2HH2 ARG 63 -10.502 -0.577 -13.607 526 HH22 ARG 63 1HH2 ARG 63 -12.168 -1.017 -13.780 527 H ARG 64 H ARG 64 -8.566 3.421 -5.327 528 HA ARG 64 HA ARG 64 -9.901 5.988 -4.772 529 HB2 ARG 64 1HB ARG 64 -10.212 3.324 -3.436 530 HB3 ARG 64 2HB ARG 64 -10.446 4.797 -2.503 531 HG2 ARG 64 1HG ARG 64 -12.171 5.514 -4.098 532 HG3 ARG 64 2HG ARG 64 -11.957 4.003 -4.983 533 HD2 ARG 64 1HD ARG 64 -13.806 3.608 -3.610 534 HD3 ARG 64 2HD ARG 64 -12.464 2.844 -2.760 535 HE ARG 64 HE ARG 64 -13.945 5.198 -1.934 536 HH11 ARG 64 2HH1 ARG 64 -11.146 3.178 -1.479 537 HH12 ARG 64 1HH1 ARG 64 -10.847 3.731 0.135 538 HH21 ARG 64 2HH2 ARG 64 -13.561 5.935 0.191 539 HH22 ARG 64 1HH2 ARG 64 -12.222 5.299 1.084 540 H ILE 65 H ILE 65 -7.525 3.611 -3.660 541 HA ILE 65 HA ILE 65 -6.416 5.372 -1.680 542 HB ILE 65 HB ILE 65 -5.079 2.914 -2.792 543 HG12 ILE 65 1HG1 ILE 65 -7.376 3.158 -0.871 544 HG13 ILE 65 2HG1 ILE 65 -7.184 2.055 -2.229 545 HG21 ILE 65 1HG2 ILE 65 -3.702 4.280 -1.348 546 HG22 ILE 65 2HG2 ILE 65 -4.961 4.294 -0.114 547 HG23 ILE 65 3HG2 ILE 65 -4.137 2.787 -0.516 548 HD11 ILE 65 1HD1 ILE 65 -6.986 0.810 -0.211 549 HD12 ILE 65 2HD1 ILE 65 -5.386 0.909 -0.948 550 HD13 ILE 65 3HD1 ILE 65 -5.788 1.935 0.429 551 H LEU 66 H LEU 66 -4.964 3.895 -4.589 552 HA LEU 66 HA LEU 66 -2.645 5.252 -4.789 553 HB2 LEU 66 1HB LEU 66 -3.049 3.684 -6.455 554 HB3 LEU 66 2HB LEU 66 -4.596 4.407 -6.894 555 HG LEU 66 HG LEU 66 -3.513 6.186 -8.064 556 HD11 LEU 66 1HD1 LEU 66 -1.059 5.159 -6.704 557 HD12 LEU 66 2HD1 LEU 66 -1.662 6.811 -6.833 558 HD13 LEU 66 3HD1 LEU 66 -0.928 6.029 -8.233 559 HD21 LEU 66 1HD2 LEU 66 -3.753 4.130 -9.316 560 HD22 LEU 66 2HD2 LEU 66 -2.212 3.538 -8.694 561 HD23 LEU 66 3HD2 LEU 66 -2.251 4.935 -9.771 562 HA PRO 67 HA PRO 67 -4.809 9.036 -6.909 563 HB2 PRO 67 1HB PRO 67 -7.502 9.213 -6.617 564 HB3 PRO 67 2HB PRO 67 -6.736 8.384 -7.977 565 HG2 PRO 67 1HG PRO 67 -7.893 7.235 -5.466 566 HG3 PRO 67 2HG PRO 67 -8.047 6.657 -7.136 567 HD2 PRO 67 1HD PRO 67 -6.321 5.553 -5.366 568 HD3 PRO 67 2HD PRO 67 -5.981 5.636 -7.106 569 H ASP 68 H ASP 68 -5.833 7.725 -3.860 570 HA ASP 68 HA ASP 68 -6.521 10.270 -2.697 571 HB2 ASP 68 1HB ASP 68 -6.416 7.444 -1.769 572 HB3 ASP 68 2HB ASP 68 -6.286 8.703 -0.544 573 H MET 69 H MET 69 -3.765 8.062 -2.618 574 HA MET 69 HA MET 69 -2.302 9.798 -0.808 575 HB2 MET 69 1HB MET 69 -0.506 8.098 -1.031 576 HB3 MET 69 2HB MET 69 -2.037 7.418 -0.497 577 HG2 MET 69 1HG MET 69 -2.483 6.588 -2.724 578 HG3 MET 69 2HG MET 69 -1.006 7.340 -3.322 579 HE1 MET 69 1HE MET 69 -2.303 5.382 -0.442 580 HE2 MET 69 2HE MET 69 -1.426 3.851 -0.454 581 HE3 MET 69 3HE MET 69 -0.717 5.267 0.323 582 H LEU 70 H LEU 70 -2.379 8.969 -4.212 583 HA LEU 70 HA LEU 70 0.060 10.054 -5.023 584 HB2 LEU 70 1HB LEU 70 -1.046 8.785 -6.621 585 HB3 LEU 70 2HB LEU 70 -2.573 9.629 -6.375 586 HG LEU 70 HG LEU 70 -1.573 11.622 -7.491 587 HD11 LEU 70 1HD1 LEU 70 0.470 11.410 -8.730 588 HD12 LEU 70 2HD1 LEU 70 0.640 9.723 -8.247 589 HD13 LEU 70 3HD1 LEU 70 0.788 11.003 -7.043 590 HD21 LEU 70 1HD2 LEU 70 -1.251 9.961 -9.715 591 HD22 LEU 70 2HD2 LEU 70 -2.726 10.773 -9.189 592 HD23 LEU 70 3HD2 LEU 70 -2.391 9.124 -8.661 593 H GLN 71 H GLN 71 -2.971 11.587 -4.222 594 HA GLN 71 HA GLN 71 -2.728 14.052 -5.426 595 HB2 GLN 71 1HB GLN 71 -3.928 13.170 -2.825 596 HB3 GLN 71 2HB GLN 71 -3.890 14.880 -3.235 597 HG2 GLN 71 1HG GLN 71 -5.089 12.772 -5.010 598 HG3 GLN 71 2HG GLN 71 -6.006 13.687 -3.815 599 HE21 GLN 71 1HE2 GLN 71 -4.666 13.661 -6.942 600 HE22 GLN 71 2HE2 GLN 71 -5.122 15.260 -7.408 601 H GLN 72 H GLN 72 -1.847 16.048 -4.814 602 HA GLN 72 HA GLN 72 0.714 16.267 -4.120 603 HB2 GLN 72 1HB GLN 72 -1.573 18.103 -3.483 604 HB3 GLN 72 2HB GLN 72 0.064 18.518 -2.993 605 HG2 GLN 72 1HG GLN 72 -0.589 19.546 -5.125 606 HG3 GLN 72 2HG GLN 72 0.811 18.485 -5.277 607 HE21 GLN 72 1HE2 GLN 72 0.710 17.688 -7.262 608 HE22 GLN 72 2HE2 GLN 72 -0.664 16.913 -7.966 609 H ARG 73 H ARG 73 2.018 16.293 -2.339 610 HA ARG 73 HA ARG 73 0.850 15.201 0.107 611 HB2 ARG 73 1HB ARG 73 3.775 15.565 -0.549 612 HB3 ARG 73 2HB ARG 73 3.082 14.568 0.724 613 HG2 ARG 73 1HG ARG 73 2.462 12.906 -0.720 614 HG3 ARG 73 2HG ARG 73 2.331 14.002 -2.097 615 HD2 ARG 73 1HD ARG 73 4.255 12.465 -2.272 616 HD3 ARG 73 2HD ARG 73 4.732 14.162 -2.252 617 HE ARG 73 HE ARG 73 4.788 13.066 0.362 618 HH11 ARG 73 2HH1 ARG 73 6.534 13.111 -2.649 619 HH12 ARG 73 1HH1 ARG 73 8.070 12.789 -1.913 620 HH21 ARG 73 2HH2 ARG 73 6.803 12.641 1.342 621 HH22 ARG 73 1HH2 ARG 73 8.221 12.521 0.357 622 H ARG 74 H ARG 74 2.302 15.966 2.125 623 HA ARG 74 HA ARG 74 1.593 18.712 2.507 624 HB2 ARG 74 1HB ARG 74 1.572 16.819 4.247 625 HB3 ARG 74 2HB ARG 74 3.307 17.084 4.370 626 HG2 ARG 74 1HG ARG 74 2.526 18.393 6.079 627 HG3 ARG 74 2HG ARG 74 2.615 19.566 4.764 628 HD2 ARG 74 1HD ARG 74 0.202 19.110 4.303 629 HD3 ARG 74 2HD ARG 74 0.167 18.119 5.760 630 HE ARG 74 HE ARG 74 0.026 20.034 6.985 631 HH11 ARG 74 2HH1 ARG 74 1.335 20.815 3.855 632 HH12 ARG 74 1HH1 ARG 74 1.341 22.524 4.140 633 HH21 ARG 74 2HH2 ARG 74 0.029 22.282 7.371 634 HH22 ARG 74 1HH2 ARG 74 0.598 23.358 6.140 635 H ASN 75 H ASN 75 2.837 20.490 2.416 636 HA ASN 75 HA ASN 75 5.075 20.757 0.947 637 HB2 ASN 75 1HB ASN 75 3.979 22.723 1.736 638 HB3 ASN 75 2HB ASN 75 4.284 22.299 3.418 639 HD21 ASN 75 1HD2 ASN 75 5.440 23.891 0.653 640 HD22 ASN 75 2HD2 ASN 75 6.968 24.389 1.287 641 H ASP 76 H ASP 76 7.109 20.079 1.027 642 HA ASP 76 HA ASP 76 8.220 19.287 3.640 643 HB2 ASP 76 1HB ASP 76 8.311 17.942 0.975 644 HB3 ASP 76 2HB ASP 76 9.698 17.773 2.047 645 HA PRO 77 HA PRO 77 11.484 22.150 2.964 646 HB2 PRO 77 1HB PRO 77 13.455 20.970 4.411 647 HB3 PRO 77 2HB PRO 77 12.072 21.783 5.155 648 HG2 PRO 77 1HG PRO 77 12.522 18.862 4.681 649 HG3 PRO 77 2HG PRO 77 11.868 19.675 6.115 650 HD2 PRO 77 1HD PRO 77 10.289 18.458 4.282 651 HD3 PRO 77 2HD PRO 77 9.769 19.894 5.187 652 H SER 78 H SER 78 13.731 22.308 2.159 653 HA SER 78 HA SER 78 14.109 20.498 -0.071 654 HB2 SER 78 1HB SER 78 14.411 23.113 -0.003 655 HB3 SER 78 2HB SER 78 16.025 22.708 0.580 656 HG SER 78 HG SER 78 16.309 21.454 -1.308 657 H GLY 79 H GLY 79 15.091 18.621 0.330 658 HA2 GLY 79 1HA GLY 79 17.286 18.556 2.286 659 HA3 GLY 79 2HA GLY 79 16.382 17.160 1.717 660 HA PRO 80 HA PRO 80 20.366 18.132 -0.820 661 HB2 PRO 80 1HB PRO 80 22.258 16.818 0.616 662 HB3 PRO 80 2HB PRO 80 21.894 18.532 0.848 663 HG2 PRO 80 1HG PRO 80 20.974 16.168 2.437 664 HG3 PRO 80 2HG PRO 80 21.544 17.747 3.009 665 HD2 PRO 80 1HD PRO 80 18.916 17.108 2.874 666 HD3 PRO 80 2HD PRO 80 19.511 18.762 2.621 667 H SER 81 H SER 81 20.260 16.772 -2.484 668 HA SER 81 HA SER 81 20.828 13.973 -2.155 669 HB2 SER 81 1HB SER 81 18.713 13.214 -3.262 670 HB3 SER 81 2HB SER 81 18.467 13.877 -1.646 671 HG SER 81 HG SER 81 16.978 14.932 -2.775 672 H SER 82 H SER 82 21.394 12.955 -4.090 673 HA SER 82 HA SER 82 22.731 14.329 -5.991 674 HB2 SER 82 1HB SER 82 22.855 11.917 -5.890 675 HB3 SER 82 2HB SER 82 21.166 11.767 -6.374 676 HG SER 82 HG SER 82 23.259 12.861 -7.952 677 H GLY 83 H GLY 83 19.408 13.126 -6.523 678 HA2 GLY 83 1HA GLY 83 18.409 15.521 -7.585 679 HA3 GLY 83 2HA GLY 83 18.995 14.539 -8.920 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -1.111 -22.342 -5.371 2 HA2 GLY 1 1HA GLY 1 -0.146 -20.408 -6.303 3 HA3 GLY 1 2HA GLY 1 1.292 -21.340 -6.693 4 H SER 2 H SER 2 0.142 -23.462 -8.082 5 HA SER 2 HA SER 2 -0.062 -22.393 -10.663 6 HB2 SER 2 1HB SER 2 -1.042 -25.104 -9.737 7 HB3 SER 2 2HB SER 2 -0.614 -24.646 -11.385 8 HG SER 2 HG SER 2 1.508 -24.067 -10.149 9 H SER 3 H SER 3 -2.617 -23.960 -8.725 10 HA SER 3 HA SER 3 -4.668 -22.950 -10.488 11 HB2 SER 3 1HB SER 3 -4.947 -24.421 -7.856 12 HB3 SER 3 2HB SER 3 -6.225 -24.154 -9.042 13 HG SER 3 HG SER 3 -3.834 -25.618 -9.497 14 H GLY 4 H GLY 4 -6.700 -22.024 -9.274 15 HA2 GLY 4 1HA GLY 4 -7.101 -20.631 -7.153 16 HA3 GLY 4 2HA GLY 4 -5.716 -19.715 -7.730 17 H SER 5 H SER 5 -6.130 -19.421 -10.362 18 HA SER 5 HA SER 5 -7.640 -17.259 -10.738 19 HB2 SER 5 1HB SER 5 -6.297 -18.305 -12.524 20 HB3 SER 5 2HB SER 5 -7.530 -19.551 -12.715 21 HG SER 5 HG SER 5 -8.966 -17.586 -13.038 22 H SER 6 H SER 6 -8.948 -20.542 -11.215 23 HA SER 6 HA SER 6 -11.573 -19.868 -11.754 24 HB2 SER 6 1HB SER 6 -10.699 -22.156 -11.960 25 HB3 SER 6 2HB SER 6 -10.578 -22.273 -10.204 26 HG SER 6 HG SER 6 -13.011 -21.579 -10.555 27 H GLY 7 H GLY 7 -13.399 -19.481 -10.546 28 HA2 GLY 7 1HA GLY 7 -14.684 -18.952 -8.705 29 HA3 GLY 7 2HA GLY 7 -13.433 -19.655 -7.691 30 H LYS 8 H LYS 8 -14.802 -16.772 -8.929 31 HA LYS 8 HA LYS 8 -12.881 -15.208 -7.347 32 HB2 LYS 8 1HB LYS 8 -12.512 -15.098 -9.892 33 HB3 LYS 8 2HB LYS 8 -14.011 -14.180 -9.941 34 HG2 LYS 8 1HG LYS 8 -13.068 -12.469 -8.539 35 HG3 LYS 8 2HG LYS 8 -11.597 -13.416 -8.312 36 HD2 LYS 8 1HD LYS 8 -12.495 -12.661 -11.066 37 HD3 LYS 8 2HD LYS 8 -11.628 -11.495 -10.063 38 HE2 LYS 8 1HE LYS 8 -9.729 -12.911 -9.912 39 HE3 LYS 8 2HE LYS 8 -10.608 -14.275 -10.601 40 HZ1 LYS 8 1HZ LYS 8 -9.855 -11.778 -12.021 41 HZ2 LYS 8 2HZ LYS 8 -10.769 -13.033 -12.690 42 HZ3 LYS 8 3HZ LYS 8 -9.160 -13.304 -12.243 43 H LYS 9 H LYS 9 -13.709 -13.148 -6.603 44 HA LYS 9 HA LYS 9 -16.609 -12.814 -6.727 45 HB2 LYS 9 1HB LYS 9 -15.028 -13.473 -4.291 46 HB3 LYS 9 2HB LYS 9 -16.332 -12.304 -4.125 47 HG2 LYS 9 1HG LYS 9 -16.804 -14.954 -5.434 48 HG3 LYS 9 2HG LYS 9 -16.827 -14.785 -3.677 49 HD2 LYS 9 1HD LYS 9 -18.658 -13.311 -3.737 50 HD3 LYS 9 2HD LYS 9 -18.465 -13.010 -5.465 51 HE2 LYS 9 1HE LYS 9 -19.279 -15.155 -6.026 52 HE3 LYS 9 2HE LYS 9 -19.139 -15.725 -4.364 53 HZ1 LYS 9 1HZ LYS 9 -21.138 -14.926 -3.864 54 HZ2 LYS 9 2HZ LYS 9 -21.393 -14.747 -5.526 55 HZ3 LYS 9 3HZ LYS 9 -20.843 -13.436 -4.609 56 H ARG 10 H ARG 10 -17.325 -10.707 -5.944 57 HA ARG 10 HA ARG 10 -15.182 -8.686 -6.018 58 HB2 ARG 10 1HB ARG 10 -17.845 -8.721 -7.414 59 HB3 ARG 10 2HB ARG 10 -17.018 -7.206 -7.073 60 HG2 ARG 10 1HG ARG 10 -15.037 -8.124 -8.308 61 HG3 ARG 10 2HG ARG 10 -16.065 -9.471 -8.802 62 HD2 ARG 10 1HD ARG 10 -16.726 -6.576 -9.308 63 HD3 ARG 10 2HD ARG 10 -15.891 -7.608 -10.468 64 HE ARG 10 HE ARG 10 -18.218 -8.929 -9.751 65 HH11 ARG 10 2HH1 ARG 10 -17.319 -5.945 -11.303 66 HH12 ARG 10 1HH1 ARG 10 -18.746 -5.874 -12.284 67 HH21 ARG 10 2HH2 ARG 10 -20.100 -8.847 -11.037 68 HH22 ARG 10 1HH2 ARG 10 -20.327 -7.525 -12.131 69 H LYS 11 H LYS 11 -16.147 -9.792 -3.643 70 HA LYS 11 HA LYS 11 -17.432 -7.436 -2.456 71 HB2 LYS 11 1HB LYS 11 -18.286 -10.305 -2.173 72 HB3 LYS 11 2HB LYS 11 -18.638 -9.126 -0.916 73 HG2 LYS 11 1HG LYS 11 -19.917 -7.792 -2.461 74 HG3 LYS 11 2HG LYS 11 -19.477 -8.861 -3.796 75 HD2 LYS 11 1HD LYS 11 -20.802 -10.606 -2.991 76 HD3 LYS 11 2HD LYS 11 -20.883 -9.919 -1.367 77 HE2 LYS 11 1HE LYS 11 -22.113 -8.618 -3.789 78 HE3 LYS 11 2HE LYS 11 -22.988 -9.727 -2.733 79 HZ1 LYS 11 1HZ LYS 11 -23.250 -8.154 -1.196 80 HZ2 LYS 11 2HZ LYS 11 -22.811 -7.046 -2.396 81 HZ3 LYS 11 3HZ LYS 11 -21.648 -7.622 -1.311 82 H GLY 12 H GLY 12 -17.309 -7.612 0.037 83 HA2 GLY 12 1HA GLY 12 -16.068 -7.922 1.962 84 HA3 GLY 12 2HA GLY 12 -15.149 -9.161 1.120 85 H ASN 13 H ASN 13 -13.960 -7.350 2.867 86 HA ASN 13 HA ASN 13 -12.063 -6.096 1.062 87 HB2 ASN 13 1HB ASN 13 -13.799 -4.355 1.526 88 HB3 ASN 13 2HB ASN 13 -13.397 -4.472 3.237 89 HD21 ASN 13 1HD2 ASN 13 -11.993 -3.808 0.066 90 HD22 ASN 13 2HD2 ASN 13 -10.807 -2.686 0.630 91 H LEU 14 H LEU 14 -10.022 -5.808 1.958 92 HA LEU 14 HA LEU 14 -9.383 -7.514 4.143 93 HB2 LEU 14 1HB LEU 14 -7.623 -5.438 2.854 94 HB3 LEU 14 2HB LEU 14 -7.106 -6.840 3.788 95 HG LEU 14 HG LEU 14 -8.581 -7.096 1.179 96 HD11 LEU 14 1HD1 LEU 14 -5.746 -6.447 1.698 97 HD12 LEU 14 2HD1 LEU 14 -6.757 -6.094 0.297 98 HD13 LEU 14 3HD1 LEU 14 -6.067 -7.703 0.502 99 HD21 LEU 14 1HD2 LEU 14 -6.804 -9.206 1.615 100 HD22 LEU 14 2HD2 LEU 14 -8.563 -9.242 1.749 101 HD23 LEU 14 3HD2 LEU 14 -7.575 -8.912 3.173 102 HA PRO 15 HA PRO 15 -9.735 -4.769 7.559 103 HB2 PRO 15 1HB PRO 15 -7.877 -5.845 9.220 104 HB3 PRO 15 2HB PRO 15 -9.435 -6.615 8.894 105 HG2 PRO 15 1HG PRO 15 -6.749 -7.197 7.708 106 HG3 PRO 15 2HG PRO 15 -7.995 -8.329 8.264 107 HD2 PRO 15 1HD PRO 15 -7.637 -7.726 5.649 108 HD3 PRO 15 2HD PRO 15 -9.230 -8.116 6.329 109 H ALA 16 H ALA 16 -8.823 -2.927 8.380 110 HA ALA 16 HA ALA 16 -6.929 -1.520 7.002 111 HB1 ALA 16 1HB ALA 16 -7.111 -1.136 9.958 112 HB2 ALA 16 2HB ALA 16 -7.014 0.068 8.672 113 HB3 ALA 16 3HB ALA 16 -8.517 -0.814 8.942 114 H GLU 17 H GLU 17 -6.291 -3.087 10.150 115 HA GLU 17 HA GLU 17 -3.660 -2.735 10.474 116 HB2 GLU 17 1HB GLU 17 -3.520 -4.972 11.509 117 HB3 GLU 17 2HB GLU 17 -4.960 -4.094 12.005 118 HG2 GLU 17 1HG GLU 17 -6.209 -5.373 10.231 119 HG3 GLU 17 2HG GLU 17 -4.769 -6.376 10.064 120 H SER 18 H SER 18 -5.013 -5.295 8.402 121 HA SER 18 HA SER 18 -2.497 -6.187 7.446 122 HB2 SER 18 1HB SER 18 -3.734 -7.548 5.915 123 HB3 SER 18 2HB SER 18 -4.663 -7.499 7.414 124 HG SER 18 HG SER 18 -5.531 -6.903 5.042 125 H VAL 19 H VAL 19 -5.000 -4.108 6.009 126 HA VAL 19 HA VAL 19 -3.924 -3.594 3.551 127 HB VAL 19 HB VAL 19 -5.289 -1.619 5.383 128 HG11 VAL 19 1HG1 VAL 19 -5.864 -0.797 2.861 129 HG12 VAL 19 2HG1 VAL 19 -4.589 -0.111 3.870 130 HG13 VAL 19 3HG1 VAL 19 -4.199 -1.346 2.671 131 HG21 VAL 19 1HG2 VAL 19 -6.424 -3.822 4.605 132 HG22 VAL 19 2HG2 VAL 19 -7.309 -2.301 4.481 133 HG23 VAL 19 3HG2 VAL 19 -6.551 -2.999 3.050 134 H LYS 20 H LYS 20 -3.124 -1.938 6.590 135 HA LYS 20 HA LYS 20 -1.459 0.039 5.815 136 HB2 LYS 20 1HB LYS 20 -1.959 -0.570 8.171 137 HB3 LYS 20 2HB LYS 20 -0.828 -1.910 8.040 138 HG2 LYS 20 1HG LYS 20 0.879 -0.079 7.376 139 HG3 LYS 20 2HG LYS 20 -0.281 1.025 8.120 140 HD2 LYS 20 1HD LYS 20 -0.152 -0.196 10.208 141 HD3 LYS 20 2HD LYS 20 0.917 -1.393 9.473 142 HE2 LYS 20 1HE LYS 20 2.238 0.142 10.769 143 HE3 LYS 20 2HE LYS 20 2.568 0.408 9.058 144 HZ1 LYS 20 1HZ LYS 20 1.073 2.304 9.099 145 HZ2 LYS 20 2HZ LYS 20 2.304 2.494 10.243 146 HZ3 LYS 20 3HZ LYS 20 0.749 2.047 10.740 147 H ILE 21 H ILE 21 -0.597 -3.393 5.994 148 HA ILE 21 HA ILE 21 2.115 -3.120 5.318 149 HB ILE 21 HB ILE 21 0.209 -5.421 4.914 150 HG12 ILE 21 1HG1 ILE 21 1.953 -6.271 6.753 151 HG13 ILE 21 2HG1 ILE 21 2.090 -4.541 7.048 152 HG21 ILE 21 1HG2 ILE 21 2.841 -5.024 3.817 153 HG22 ILE 21 2HG2 ILE 21 2.823 -6.399 4.920 154 HG23 ILE 21 3HG2 ILE 21 1.705 -6.347 3.557 155 HD11 ILE 21 1HD1 ILE 21 -0.051 -4.368 7.826 156 HD12 ILE 21 2HD1 ILE 21 -0.616 -5.765 6.909 157 HD13 ILE 21 3HD1 ILE 21 0.364 -5.998 8.357 158 H LEU 22 H LEU 22 -0.751 -3.645 3.297 159 HA LEU 22 HA LEU 22 0.704 -3.776 0.851 160 HB2 LEU 22 1HB LEU 22 -2.210 -3.207 1.372 161 HB3 LEU 22 2HB LEU 22 -1.509 -3.537 -0.211 162 HG LEU 22 HG LEU 22 -1.611 -5.472 2.103 163 HD11 LEU 22 1HD1 LEU 22 -3.279 -5.167 -0.376 164 HD12 LEU 22 2HD1 LEU 22 -3.811 -5.253 1.303 165 HD13 LEU 22 3HD1 LEU 22 -3.165 -6.689 0.508 166 HD21 LEU 22 1HD2 LEU 22 -0.756 -7.105 0.567 167 HD22 LEU 22 2HD2 LEU 22 0.346 -5.727 0.592 168 HD23 LEU 22 3HD2 LEU 22 -0.774 -5.937 -0.755 169 H ARG 23 H ARG 23 -1.473 -1.271 2.165 170 HA ARG 23 HA ARG 23 -1.142 0.686 0.290 171 HB2 ARG 23 1HB ARG 23 -1.671 0.719 3.217 172 HB3 ARG 23 2HB ARG 23 -1.250 2.247 2.455 173 HG2 ARG 23 1HG ARG 23 -3.095 1.661 0.758 174 HG3 ARG 23 2HG ARG 23 -3.624 0.494 1.972 175 HD2 ARG 23 1HD ARG 23 -4.876 2.412 2.435 176 HD3 ARG 23 2HD ARG 23 -3.565 2.456 3.613 177 HE ARG 23 HE ARG 23 -3.059 3.922 1.177 178 HH11 ARG 23 2HH1 ARG 23 -4.317 4.032 4.421 179 HH12 ARG 23 1HH1 ARG 23 -4.124 5.746 4.578 180 HH21 ARG 23 2HH2 ARG 23 -2.799 6.180 1.371 181 HH22 ARG 23 1HH2 ARG 23 -3.261 6.967 2.842 182 H ASP 24 H ASP 24 0.860 0.314 3.218 183 HA ASP 24 HA ASP 24 2.645 2.321 2.959 184 HB2 ASP 24 1HB ASP 24 2.592 0.367 4.652 185 HB3 ASP 24 2HB ASP 24 3.659 -0.455 3.518 186 H TRP 25 H TRP 25 2.714 -0.716 1.143 187 HA TRP 25 HA TRP 25 5.095 0.001 -0.300 188 HB2 TRP 25 1HB TRP 25 4.644 -2.342 0.113 189 HB3 TRP 25 2HB TRP 25 3.089 -2.226 -0.707 190 HD1 TRP 25 HD TRP 25 6.719 -2.897 -1.341 191 HE1 TRP 25 1HE TRP 25 7.106 -3.291 -3.855 192 HE3 TRP 25 3HE TRP 25 2.171 -1.374 -3.111 193 HZ2 TRP 25 2HZ TRP 25 5.674 -2.995 -6.269 194 HZ3 TRP 25 3HZ TRP 25 1.760 -1.460 -5.536 195 HH2 TRP 25 HH TRP 25 3.477 -2.253 -7.080 196 H MET 26 H MET 26 1.623 -0.087 -0.989 197 HA MET 26 HA MET 26 1.710 0.538 -3.703 198 HB2 MET 26 1HB MET 26 -0.337 -0.177 -2.581 199 HB3 MET 26 2HB MET 26 -0.366 1.312 -1.646 200 HG2 MET 26 1HG MET 26 -0.597 2.576 -3.766 201 HG3 MET 26 2HG MET 26 -0.713 1.039 -4.620 202 HE1 MET 26 1HE MET 26 -4.359 0.671 -4.825 203 HE2 MET 26 2HE MET 26 -2.988 1.342 -5.710 204 HE3 MET 26 3HE MET 26 -2.861 -0.251 -4.962 205 H TYR 27 H TYR 27 2.439 2.475 -0.973 206 HA TYR 27 HA TYR 27 1.948 5.016 -2.214 207 HB2 TYR 27 1HB TYR 27 1.909 4.656 0.257 208 HB3 TYR 27 2HB TYR 27 3.650 4.400 0.209 209 HD1 TYR 27 2HD TYR 27 1.234 6.935 -1.118 210 HD2 TYR 27 1HD TYR 27 4.902 6.196 0.907 211 HE1 TYR 27 2HE TYR 27 1.591 9.358 -0.891 212 HE2 TYR 27 1HE TYR 27 5.269 8.617 1.140 213 HH TYR 27 HH TYR 27 3.866 10.864 -0.591 214 H LYS 28 H LYS 28 4.889 3.195 -1.364 215 HA LYS 28 HA LYS 28 6.712 4.982 -2.537 216 HB2 LYS 28 1HB LYS 28 7.077 1.998 -2.246 217 HB3 LYS 28 2HB LYS 28 8.339 3.219 -2.338 218 HG2 LYS 28 1HG LYS 28 7.769 4.078 -0.188 219 HG3 LYS 28 2HG LYS 28 6.321 3.071 -0.112 220 HD2 LYS 28 1HD LYS 28 7.730 1.789 1.145 221 HD3 LYS 28 2HD LYS 28 8.102 1.136 -0.452 222 HE2 LYS 28 1HE LYS 28 10.022 2.651 -0.613 223 HE3 LYS 28 2HE LYS 28 9.649 3.291 0.987 224 HZ1 LYS 28 1HZ LYS 28 11.316 1.706 1.321 225 HZ2 LYS 28 2HZ LYS 28 10.601 0.582 0.279 226 HZ3 LYS 28 3HZ LYS 28 9.892 0.914 1.778 227 H HIS 29 H HIS 29 5.181 2.044 -3.816 228 HA HIS 29 HA HIS 29 6.332 2.552 -6.446 229 HB2 HIS 29 1HB HIS 29 4.495 0.299 -5.622 230 HB3 HIS 29 2HB HIS 29 5.504 0.379 -7.063 231 HD1 HIS 29 1HD HIS 29 7.726 -0.709 -6.885 232 HD2 HIS 29 2HD HIS 29 6.124 0.179 -3.156 233 HE1 HIS 29 1HE HIS 29 9.319 -1.706 -5.214 234 HE2 HIS 29 2HE HIS 29 8.284 -1.230 -2.968 235 H ARG 30 H ARG 30 3.828 3.785 -4.838 236 HA ARG 30 HA ARG 30 1.482 3.536 -6.102 237 HB2 ARG 30 1HB ARG 30 0.970 5.798 -5.576 238 HB3 ARG 30 2HB ARG 30 2.083 5.237 -4.336 239 HG2 ARG 30 1HG ARG 30 3.930 6.346 -5.535 240 HG3 ARG 30 2HG ARG 30 2.762 6.969 -6.702 241 HD2 ARG 30 1HD ARG 30 1.872 8.464 -5.221 242 HD3 ARG 30 2HD ARG 30 2.247 7.462 -3.819 243 HE ARG 30 HE ARG 30 4.261 8.531 -3.641 244 HH11 ARG 30 2HH1 ARG 30 2.926 9.140 -6.798 245 HH12 ARG 30 1HH1 ARG 30 4.134 10.305 -7.228 246 HH21 ARG 30 2HH2 ARG 30 5.857 10.063 -4.195 247 HH22 ARG 30 1HH2 ARG 30 5.801 10.829 -5.747 248 H PHE 31 H PHE 31 4.373 4.910 -7.494 249 HA PHE 31 HA PHE 31 3.511 6.327 -9.641 250 HB2 PHE 31 1HB PHE 31 5.757 4.310 -9.519 251 HB3 PHE 31 2HB PHE 31 5.512 5.403 -10.877 252 HD1 PHE 31 1HD PHE 31 4.753 7.887 -9.514 253 HD2 PHE 31 2HD PHE 31 7.732 5.009 -8.536 254 HE1 PHE 31 1HE PHE 31 6.045 9.626 -8.348 255 HE2 PHE 31 2HE PHE 31 9.029 6.743 -7.367 256 HZ PHE 31 HZ PHE 31 8.186 9.055 -7.272 257 H LYS 32 H LYS 32 3.708 2.791 -9.441 258 HA LYS 32 HA LYS 32 2.091 2.633 -11.899 259 HB2 LYS 32 1HB LYS 32 2.987 0.363 -12.180 260 HB3 LYS 32 2HB LYS 32 4.271 1.563 -12.131 261 HG2 LYS 32 1HG LYS 32 3.527 0.255 -9.579 262 HG3 LYS 32 2HG LYS 32 4.396 -0.709 -10.775 263 HD2 LYS 32 1HD LYS 32 5.350 2.022 -9.974 264 HD3 LYS 32 2HD LYS 32 5.770 0.589 -9.033 265 HE2 LYS 32 1HE LYS 32 6.741 -0.429 -11.044 266 HE3 LYS 32 2HE LYS 32 6.338 1.019 -11.965 267 HZ1 LYS 32 1HZ LYS 32 7.779 2.289 -10.453 268 HZ2 LYS 32 2HZ LYS 32 8.628 1.097 -11.300 269 HZ3 LYS 32 3HZ LYS 32 8.223 0.853 -9.676 270 H ALA 33 H ALA 33 2.320 1.753 -8.549 271 HA ALA 33 HA ALA 33 0.908 0.682 -7.115 272 HB1 ALA 33 1HB ALA 33 -0.465 2.646 -7.985 273 HB2 ALA 33 2HB ALA 33 -1.312 1.462 -8.981 274 HB3 ALA 33 3HB ALA 33 -1.346 1.321 -7.224 275 H TYR 34 H TYR 34 1.993 -0.844 -9.416 276 HA TYR 34 HA TYR 34 0.030 -3.035 -9.363 277 HB2 TYR 34 1HB TYR 34 1.547 -1.958 -11.732 278 HB3 TYR 34 2HB TYR 34 0.911 -3.599 -11.710 279 HD1 TYR 34 1HD TYR 34 -1.661 -3.719 -10.960 280 HD2 TYR 34 2HD TYR 34 0.235 -0.334 -12.704 281 HE1 TYR 34 1HE TYR 34 -3.851 -2.886 -11.709 282 HE2 TYR 34 2HE TYR 34 -1.949 0.510 -13.457 283 HH TYR 34 HH TYR 34 -4.947 -1.261 -12.745 284 HA PRO 35 HA PRO 35 3.958 -4.660 -7.696 285 HB2 PRO 35 1HB PRO 35 2.754 -6.522 -6.130 286 HB3 PRO 35 2HB PRO 35 2.958 -4.837 -5.635 287 HG2 PRO 35 1HG PRO 35 0.548 -6.199 -6.776 288 HG3 PRO 35 2HG PRO 35 0.650 -5.043 -5.435 289 HD2 PRO 35 1HD PRO 35 -0.120 -4.319 -7.929 290 HD3 PRO 35 2HD PRO 35 0.766 -3.224 -6.847 291 H SER 36 H SER 36 4.883 -6.834 -7.775 292 HA SER 36 HA SER 36 3.790 -8.359 -10.033 293 HB2 SER 36 1HB SER 36 6.066 -7.571 -10.369 294 HB3 SER 36 2HB SER 36 6.576 -8.304 -8.848 295 HG SER 36 HG SER 36 6.371 -9.423 -11.288 296 H GLU 37 H GLU 37 3.663 -10.633 -9.953 297 HA GLU 37 HA GLU 37 2.446 -11.839 -7.904 298 HB2 GLU 37 1HB GLU 37 4.364 -12.929 -9.925 299 HB3 GLU 37 2HB GLU 37 3.758 -13.991 -8.662 300 HG2 GLU 37 1HG GLU 37 1.512 -13.696 -9.375 301 HG3 GLU 37 2HG GLU 37 1.970 -12.398 -10.476 302 H GLU 38 H GLU 38 5.863 -11.149 -8.063 303 HA GLU 38 HA GLU 38 6.575 -12.754 -5.798 304 HB2 GLU 38 1HB GLU 38 7.983 -10.680 -7.445 305 HB3 GLU 38 2HB GLU 38 8.687 -11.233 -5.932 306 HG2 GLU 38 1HG GLU 38 8.955 -13.417 -6.719 307 HG3 GLU 38 2HG GLU 38 7.849 -13.159 -8.068 308 H GLU 39 H GLU 39 6.146 -9.264 -6.340 309 HA GLU 39 HA GLU 39 6.708 -8.397 -3.755 310 HB2 GLU 39 1HB GLU 39 4.715 -7.205 -5.691 311 HB3 GLU 39 2HB GLU 39 5.445 -6.380 -4.321 312 HG2 GLU 39 1HG GLU 39 7.685 -6.925 -5.472 313 HG3 GLU 39 2HG GLU 39 6.697 -7.209 -6.905 314 H LYS 40 H LYS 40 3.516 -9.078 -5.191 315 HA LYS 40 HA LYS 40 1.931 -8.636 -2.984 316 HB2 LYS 40 1HB LYS 40 1.285 -11.006 -4.665 317 HB3 LYS 40 2HB LYS 40 0.247 -9.690 -4.134 318 HG2 LYS 40 1HG LYS 40 1.673 -8.249 -5.749 319 HG3 LYS 40 2HG LYS 40 2.117 -9.803 -6.459 320 HD2 LYS 40 1HD LYS 40 -0.348 -10.295 -6.641 321 HD3 LYS 40 2HD LYS 40 -0.638 -8.614 -6.190 322 HE2 LYS 40 1HE LYS 40 0.540 -7.834 -8.132 323 HE3 LYS 40 2HE LYS 40 1.049 -9.472 -8.537 324 HZ1 LYS 40 1HZ LYS 40 -1.764 -8.519 -8.497 325 HZ2 LYS 40 2HZ LYS 40 -1.243 -10.065 -8.942 326 HZ3 LYS 40 3HZ LYS 40 -0.825 -8.727 -9.889 327 H GLN 41 H GLN 41 3.098 -11.855 -4.000 328 HA GLN 41 HA GLN 41 2.312 -13.368 -1.893 329 HB2 GLN 41 1HB GLN 41 3.805 -13.913 -4.002 330 HB3 GLN 41 2HB GLN 41 5.119 -13.744 -2.845 331 HG2 GLN 41 1HG GLN 41 2.791 -15.637 -2.605 332 HG3 GLN 41 2HG GLN 41 4.431 -16.064 -3.091 333 HE21 GLN 41 1HE2 GLN 41 2.344 -15.221 -0.468 334 HE22 GLN 41 2HE2 GLN 41 3.455 -15.574 0.807 335 H MET 42 H MET 42 5.270 -11.403 -2.017 336 HA MET 42 HA MET 42 6.326 -12.070 0.461 337 HB2 MET 42 1HB MET 42 7.744 -10.808 -0.881 338 HB3 MET 42 2HB MET 42 6.498 -9.627 -1.263 339 HG2 MET 42 1HG MET 42 6.616 -8.864 1.115 340 HG3 MET 42 2HG MET 42 8.014 -9.917 1.315 341 HE1 MET 42 1HE MET 42 7.583 -6.912 -1.922 342 HE2 MET 42 2HE MET 42 6.341 -7.423 -0.779 343 HE3 MET 42 3HE MET 42 7.329 -6.003 -0.432 344 H LEU 43 H LEU 43 3.908 -9.626 -0.372 345 HA LEU 43 HA LEU 43 3.690 -8.619 2.298 346 HB2 LEU 43 1HB LEU 43 1.732 -8.335 0.027 347 HB3 LEU 43 2HB LEU 43 1.830 -7.331 1.472 348 HG LEU 43 HG LEU 43 4.184 -7.450 -0.354 349 HD11 LEU 43 1HD1 LEU 43 3.211 -6.440 -2.075 350 HD12 LEU 43 2HD1 LEU 43 2.409 -5.276 -1.022 351 HD13 LEU 43 3HD1 LEU 43 1.656 -6.838 -1.342 352 HD21 LEU 43 1HD2 LEU 43 2.935 -5.293 1.346 353 HD22 LEU 43 2HD2 LEU 43 4.411 -5.122 0.395 354 HD23 LEU 43 3HD2 LEU 43 4.360 -6.251 1.750 355 H SER 44 H SER 44 1.928 -10.958 0.339 356 HA SER 44 HA SER 44 -0.325 -11.363 1.872 357 HB2 SER 44 1HB SER 44 -0.353 -12.586 -0.091 358 HB3 SER 44 2HB SER 44 1.309 -13.140 0.105 359 HG SER 44 HG SER 44 0.653 -14.710 1.427 360 H GLU 45 H GLU 45 2.958 -12.313 2.524 361 HA GLU 45 HA GLU 45 2.336 -14.198 4.581 362 HB2 GLU 45 1HB GLU 45 4.880 -12.747 3.850 363 HB3 GLU 45 2HB GLU 45 4.783 -13.921 5.155 364 HG2 GLU 45 1HG GLU 45 3.813 -14.736 2.472 365 HG3 GLU 45 2HG GLU 45 5.551 -14.593 2.724 366 H LYS 46 H LYS 46 3.029 -10.759 4.465 367 HA LYS 46 HA LYS 46 3.151 -10.499 7.338 368 HB2 LYS 46 1HB LYS 46 3.212 -8.536 5.056 369 HB3 LYS 46 2HB LYS 46 3.115 -8.001 6.729 370 HG2 LYS 46 1HG LYS 46 5.379 -7.916 6.302 371 HG3 LYS 46 2HG LYS 46 5.199 -9.491 7.077 372 HD2 LYS 46 1HD LYS 46 5.563 -10.645 5.124 373 HD3 LYS 46 2HD LYS 46 4.984 -9.321 4.109 374 HE2 LYS 46 1HE LYS 46 7.268 -9.293 3.724 375 HE3 LYS 46 2HE LYS 46 7.075 -8.066 4.974 376 HZ1 LYS 46 1HZ LYS 46 8.200 -9.286 6.463 377 HZ2 LYS 46 2HZ LYS 46 8.838 -10.065 5.105 378 HZ3 LYS 46 3HZ LYS 46 7.541 -10.755 5.944 379 H THR 47 H THR 47 0.789 -10.063 4.794 380 HA THR 47 HA THR 47 -1.143 -8.906 6.650 381 HB THR 47 HB THR 47 -2.608 -8.662 4.698 382 HG1 THR 47 1HG THR 47 -0.591 -10.216 3.500 383 HG21 THR 47 1HG2 THR 47 -1.262 -6.779 4.984 384 HG22 THR 47 2HG2 THR 47 -0.986 -7.215 3.297 385 HG23 THR 47 3HG2 THR 47 0.206 -7.641 4.525 386 H ASN 48 H ASN 48 -0.192 -11.947 5.551 387 HA ASN 48 HA ASN 48 -1.032 -14.043 5.817 388 HB2 ASN 48 1HB ASN 48 -1.569 -12.915 8.122 389 HB3 ASN 48 2HB ASN 48 -3.234 -12.986 7.554 390 HD21 ASN 48 1HD2 ASN 48 -0.500 -14.786 8.651 391 HD22 ASN 48 2HD2 ASN 48 -1.299 -16.310 8.805 392 H LEU 49 H LEU 49 -2.033 -12.299 3.700 393 HA LEU 49 HA LEU 49 -4.775 -13.293 3.359 394 HB2 LEU 49 1HB LEU 49 -3.314 -11.228 1.723 395 HB3 LEU 49 2HB LEU 49 -5.029 -11.624 1.642 396 HG LEU 49 HG LEU 49 -3.748 -10.475 4.111 397 HD11 LEU 49 1HD1 LEU 49 -4.888 -8.331 3.261 398 HD12 LEU 49 2HD1 LEU 49 -4.810 -9.095 1.674 399 HD13 LEU 49 3HD1 LEU 49 -3.327 -8.782 2.575 400 HD21 LEU 49 1HD2 LEU 49 -6.079 -9.800 4.581 401 HD22 LEU 49 2HD2 LEU 49 -5.876 -11.549 4.478 402 HD23 LEU 49 3HD2 LEU 49 -6.594 -10.664 3.132 403 H SER 50 H SER 50 -5.158 -13.444 0.755 404 HA SER 50 HA SER 50 -3.270 -15.525 -0.108 405 HB2 SER 50 1HB SER 50 -6.187 -15.050 -0.693 406 HB3 SER 50 2HB SER 50 -5.210 -16.122 -1.696 407 HG SER 50 HG SER 50 -5.078 -16.489 1.060 408 H LEU 51 H LEU 51 -2.143 -15.333 -1.956 409 HA LEU 51 HA LEU 51 -1.429 -13.051 -3.141 410 HB2 LEU 51 1HB LEU 51 -1.728 -15.804 -4.223 411 HB3 LEU 51 2HB LEU 51 -1.343 -14.504 -5.349 412 HG LEU 51 HG LEU 51 0.313 -15.027 -2.896 413 HD11 LEU 51 1HD1 LEU 51 1.305 -16.008 -5.483 414 HD12 LEU 51 2HD1 LEU 51 -0.021 -16.934 -4.779 415 HD13 LEU 51 3HD1 LEU 51 1.468 -16.693 -3.866 416 HD21 LEU 51 1HD2 LEU 51 0.352 -13.150 -5.089 417 HD22 LEU 51 2HD2 LEU 51 1.850 -14.078 -5.015 418 HD23 LEU 51 3HD2 LEU 51 1.305 -13.168 -3.606 419 H LEU 52 H LEU 52 -4.364 -14.849 -3.907 420 HA LEU 52 HA LEU 52 -5.165 -13.302 -6.123 421 HB2 LEU 52 1HB LEU 52 -6.138 -15.457 -5.729 422 HB3 LEU 52 2HB LEU 52 -6.751 -14.944 -4.158 423 HG LEU 52 HG LEU 52 -8.304 -13.405 -5.288 424 HD11 LEU 52 1HD1 LEU 52 -7.244 -14.654 -7.819 425 HD12 LEU 52 2HD1 LEU 52 -7.003 -12.984 -7.305 426 HD13 LEU 52 3HD1 LEU 52 -8.622 -13.558 -7.704 427 HD21 LEU 52 1HD2 LEU 52 -9.876 -15.021 -5.805 428 HD22 LEU 52 2HD2 LEU 52 -8.743 -15.911 -4.787 429 HD23 LEU 52 3HD2 LEU 52 -8.685 -16.094 -6.540 430 H GLN 53 H GLN 53 -6.253 -13.184 -2.728 431 HA GLN 53 HA GLN 53 -7.913 -10.959 -2.969 432 HB2 GLN 53 1HB GLN 53 -6.363 -12.070 -0.638 433 HB3 GLN 53 2HB GLN 53 -7.413 -10.669 -0.474 434 HG2 GLN 53 1HG GLN 53 -9.274 -12.085 -1.385 435 HG3 GLN 53 2HG GLN 53 -8.190 -13.468 -1.239 436 HE21 GLN 53 1HE2 GLN 53 -7.221 -13.770 0.953 437 HE22 GLN 53 2HE2 GLN 53 -8.245 -13.490 2.316 438 H ILE 54 H ILE 54 -4.445 -11.187 -2.611 439 HA ILE 54 HA ILE 54 -3.939 -8.510 -1.873 440 HB ILE 54 HB ILE 54 -2.145 -10.397 -3.405 441 HG12 ILE 54 1HG1 ILE 54 -2.989 -11.210 -1.168 442 HG13 ILE 54 2HG1 ILE 54 -1.239 -11.068 -1.297 443 HG21 ILE 54 1HG2 ILE 54 -1.279 -8.211 -3.649 444 HG22 ILE 54 2HG2 ILE 54 -1.615 -7.812 -1.965 445 HG23 ILE 54 3HG2 ILE 54 -0.342 -8.966 -2.360 446 HD11 ILE 54 1HD1 ILE 54 -3.148 -9.278 0.165 447 HD12 ILE 54 2HD1 ILE 54 -1.797 -10.212 0.810 448 HD13 ILE 54 3HD1 ILE 54 -1.491 -8.800 -0.201 449 H SER 55 H SER 55 -3.433 -10.055 -5.053 450 HA SER 55 HA SER 55 -2.945 -7.764 -6.515 451 HB2 SER 55 1HB SER 55 -3.642 -9.058 -8.498 452 HB3 SER 55 2HB SER 55 -2.624 -10.017 -7.424 453 HG SER 55 HG SER 55 -4.413 -11.113 -6.718 454 H ASN 56 H ASN 56 -6.081 -9.415 -6.125 455 HA ASN 56 HA ASN 56 -7.681 -7.703 -7.561 456 HB2 ASN 56 1HB ASN 56 -8.175 -9.400 -5.140 457 HB3 ASN 56 2HB ASN 56 -9.450 -8.337 -5.729 458 HD21 ASN 56 1HD2 ASN 56 -7.370 -11.031 -6.549 459 HD22 ASN 56 2HD2 ASN 56 -8.363 -11.658 -7.817 460 H TRP 57 H TRP 57 -7.086 -7.504 -4.048 461 HA TRP 57 HA TRP 57 -8.437 -5.236 -3.415 462 HB2 TRP 57 1HB TRP 57 -7.315 -6.393 -1.672 463 HB3 TRP 57 2HB TRP 57 -5.746 -6.193 -2.447 464 HD1 TRP 57 HD TRP 57 -8.317 -4.272 -0.356 465 HE1 TRP 57 1HE TRP 57 -7.179 -2.182 0.624 466 HE3 TRP 57 3HE TRP 57 -3.851 -4.544 -2.829 467 HZ2 TRP 57 2HZ TRP 57 -4.715 -0.827 0.381 468 HZ3 TRP 57 3HZ TRP 57 -2.158 -2.812 -2.399 469 HH2 TRP 57 HH TRP 57 -2.583 -0.992 -0.828 470 H PHE 58 H PHE 58 -5.089 -5.318 -4.635 471 HA PHE 58 HA PHE 58 -4.563 -2.618 -4.701 472 HB2 PHE 58 1HB PHE 58 -3.612 -4.960 -6.262 473 HB3 PHE 58 2HB PHE 58 -3.248 -3.366 -6.915 474 HD1 PHE 58 2HD PHE 58 -1.820 -1.813 -5.678 475 HD2 PHE 58 1HD PHE 58 -2.555 -5.764 -4.276 476 HE1 PHE 58 2HE PHE 58 0.095 -1.621 -4.146 477 HE2 PHE 58 1HE PHE 58 -0.641 -5.578 -2.741 478 HZ PHE 58 HZ PHE 58 0.688 -3.506 -2.675 479 H ILE 59 H ILE 59 -6.315 -4.565 -7.070 480 HA ILE 59 HA ILE 59 -6.576 -2.814 -9.162 481 HB ILE 59 HB ILE 59 -8.778 -4.577 -8.083 482 HG12 ILE 59 1HG1 ILE 59 -6.659 -5.189 -10.154 483 HG13 ILE 59 2HG1 ILE 59 -6.635 -5.769 -8.493 484 HG21 ILE 59 1HG2 ILE 59 -9.584 -4.583 -10.407 485 HG22 ILE 59 2HG2 ILE 59 -9.603 -2.969 -9.697 486 HG23 ILE 59 3HG2 ILE 59 -8.329 -3.418 -10.830 487 HD11 ILE 59 1HD1 ILE 59 -7.454 -7.543 -9.790 488 HD12 ILE 59 2HD1 ILE 59 -8.866 -6.851 -8.990 489 HD13 ILE 59 3HD1 ILE 59 -8.548 -6.489 -10.686 490 H ASN 60 H ASN 60 -9.218 -3.202 -6.807 491 HA ASN 60 HA ASN 60 -10.421 -0.737 -7.434 492 HB2 ASN 60 1HB ASN 60 -10.738 -2.169 -4.798 493 HB3 ASN 60 2HB ASN 60 -11.917 -1.168 -5.641 494 HD21 ASN 60 1HD2 ASN 60 -12.742 -1.988 -7.689 495 HD22 ASN 60 2HD2 ASN 60 -12.918 -3.695 -7.892 496 H ALA 61 H ALA 61 -8.154 -1.686 -4.898 497 HA ALA 61 HA ALA 61 -8.211 0.721 -3.436 498 HB1 ALA 61 1HB ALA 61 -7.273 -1.117 -2.336 499 HB2 ALA 61 2HB ALA 61 -6.188 -1.482 -3.678 500 HB3 ALA 61 3HB ALA 61 -5.900 -0.062 -2.672 501 H ARG 62 H ARG 62 -6.709 -0.139 -6.425 502 HA ARG 62 HA ARG 62 -4.759 1.977 -6.385 503 HB2 ARG 62 1HB ARG 62 -4.306 -0.065 -7.634 504 HB3 ARG 62 2HB ARG 62 -5.729 0.203 -8.632 505 HG2 ARG 62 1HG ARG 62 -4.681 2.302 -9.454 506 HG3 ARG 62 2HG ARG 62 -3.224 1.868 -8.558 507 HD2 ARG 62 1HD ARG 62 -2.888 -0.076 -9.880 508 HD3 ARG 62 2HD ARG 62 -4.485 0.068 -10.613 509 HE ARG 62 HE ARG 62 -2.102 1.344 -11.475 510 HH11 ARG 62 2HH1 ARG 62 -5.537 1.819 -11.176 511 HH12 ARG 62 1HH1 ARG 62 -5.627 2.948 -12.486 512 HH21 ARG 62 2HH2 ARG 62 -2.207 2.830 -13.202 513 HH22 ARG 62 1HH2 ARG 62 -3.732 3.522 -13.639 514 H ARG 63 H ARG 63 -8.075 1.764 -7.043 515 HA ARG 63 HA ARG 63 -8.024 4.205 -8.681 516 HB2 ARG 63 1HB ARG 63 -10.491 3.605 -9.040 517 HB3 ARG 63 2HB ARG 63 -9.287 2.587 -9.818 518 HG2 ARG 63 1HG ARG 63 -9.521 0.953 -7.993 519 HG3 ARG 63 2HG ARG 63 -10.779 1.964 -7.279 520 HD2 ARG 63 1HD ARG 63 -11.797 0.184 -8.552 521 HD3 ARG 63 2HD ARG 63 -12.099 1.728 -9.349 522 HE ARG 63 HE ARG 63 -10.484 -0.462 -10.337 523 HH11 ARG 63 2HH1 ARG 63 -11.330 2.903 -10.619 524 HH12 ARG 63 1HH1 ARG 63 -10.778 3.038 -12.256 525 HH21 ARG 63 2HH2 ARG 63 -9.754 -0.296 -12.491 526 HH22 ARG 63 1HH2 ARG 63 -9.883 1.218 -13.320 527 H ARG 64 H ARG 64 -8.321 3.268 -5.538 528 HA ARG 64 HA ARG 64 -9.971 5.620 -4.890 529 HB2 ARG 64 1HB ARG 64 -11.130 3.426 -4.463 530 HB3 ARG 64 2HB ARG 64 -9.882 3.069 -3.276 531 HG2 ARG 64 1HG ARG 64 -10.573 4.846 -1.876 532 HG3 ARG 64 2HG ARG 64 -11.614 5.519 -3.132 533 HD2 ARG 64 1HD ARG 64 -12.961 4.369 -1.490 534 HD3 ARG 64 2HD ARG 64 -13.012 3.493 -3.019 535 HE ARG 64 HE ARG 64 -11.028 2.567 -1.128 536 HH11 ARG 64 2HH1 ARG 64 -14.268 2.230 -2.356 537 HH12 ARG 64 1HH1 ARG 64 -14.456 0.606 -1.782 538 HH21 ARG 64 2HH2 ARG 64 -11.263 0.430 -0.367 539 HH22 ARG 64 1HH2 ARG 64 -12.747 -0.417 -0.650 540 H ILE 65 H ILE 65 -7.415 3.426 -3.798 541 HA ILE 65 HA ILE 65 -6.591 5.219 -1.689 542 HB ILE 65 HB ILE 65 -5.053 2.837 -2.706 543 HG12 ILE 65 1HG1 ILE 65 -7.361 2.937 -0.758 544 HG13 ILE 65 2HG1 ILE 65 -7.267 2.019 -2.257 545 HG21 ILE 65 1HG2 ILE 65 -4.009 4.499 -1.112 546 HG22 ILE 65 2HG2 ILE 65 -5.191 3.961 0.079 547 HG23 ILE 65 3HG2 ILE 65 -4.021 2.818 -0.581 548 HD11 ILE 65 1HD1 ILE 65 -5.134 1.037 -0.911 549 HD12 ILE 65 2HD1 ILE 65 -6.248 1.387 0.411 550 HD13 ILE 65 3HD1 ILE 65 -6.745 0.322 -0.904 551 H LEU 66 H LEU 66 -4.897 3.863 -4.526 552 HA LEU 66 HA LEU 66 -2.639 5.360 -4.543 553 HB2 LEU 66 1HB LEU 66 -2.881 3.719 -6.205 554 HB3 LEU 66 2HB LEU 66 -4.366 4.443 -6.819 555 HG LEU 66 HG LEU 66 -2.990 6.366 -7.642 556 HD11 LEU 66 1HD1 LEU 66 -0.514 5.682 -7.954 557 HD12 LEU 66 2HD1 LEU 66 -0.807 4.625 -6.573 558 HD13 LEU 66 3HD1 LEU 66 -1.031 6.367 -6.413 559 HD21 LEU 66 1HD2 LEU 66 -1.719 4.205 -9.073 560 HD22 LEU 66 2HD2 LEU 66 -2.977 5.321 -9.605 561 HD23 LEU 66 3HD2 LEU 66 -3.414 3.845 -8.745 562 HA PRO 67 HA PRO 67 -4.933 8.970 -6.837 563 HB2 PRO 67 1HB PRO 67 -7.640 8.987 -6.635 564 HB3 PRO 67 2HB PRO 67 -6.780 8.184 -7.955 565 HG2 PRO 67 1HG PRO 67 -7.949 7.007 -5.463 566 HG3 PRO 67 2HG PRO 67 -8.013 6.395 -7.126 567 HD2 PRO 67 1HD PRO 67 -6.283 5.426 -5.282 568 HD3 PRO 67 2HD PRO 67 -5.891 5.502 -7.012 569 H ASP 68 H ASP 68 -5.914 7.649 -3.790 570 HA ASP 68 HA ASP 68 -6.745 10.209 -2.709 571 HB2 ASP 68 1HB ASP 68 -7.903 8.157 -2.007 572 HB3 ASP 68 2HB ASP 68 -6.394 7.528 -1.351 573 H MET 69 H MET 69 -3.974 8.060 -2.591 574 HA MET 69 HA MET 69 -2.628 9.410 -0.478 575 HB2 MET 69 1HB MET 69 -0.615 8.155 -1.358 576 HB3 MET 69 2HB MET 69 -1.990 7.162 -0.892 577 HG2 MET 69 1HG MET 69 -2.627 6.875 -3.192 578 HG3 MET 69 2HG MET 69 -1.368 7.991 -3.715 579 HE1 MET 69 1HE MET 69 -1.416 4.983 -1.112 580 HE2 MET 69 2HE MET 69 -2.284 4.435 -2.546 581 HE3 MET 69 3HE MET 69 -0.727 3.717 -2.129 582 H LEU 70 H LEU 70 -2.433 9.572 -4.012 583 HA LEU 70 HA LEU 70 -0.271 11.214 -4.366 584 HB2 LEU 70 1HB LEU 70 -2.807 10.780 -5.823 585 HB3 LEU 70 2HB LEU 70 -1.895 12.229 -6.243 586 HG LEU 70 HG LEU 70 -1.493 10.196 -7.684 587 HD11 LEU 70 1HD1 LEU 70 1.043 10.495 -7.556 588 HD12 LEU 70 2HD1 LEU 70 0.712 11.655 -6.270 589 HD13 LEU 70 3HD1 LEU 70 0.064 11.924 -7.887 590 HD21 LEU 70 1HD2 LEU 70 0.370 8.736 -6.512 591 HD22 LEU 70 2HD2 LEU 70 -1.343 8.340 -6.364 592 HD23 LEU 70 3HD2 LEU 70 -0.519 9.196 -5.060 593 H GLN 71 H GLN 71 -3.632 12.286 -3.852 594 HA GLN 71 HA GLN 71 -4.504 14.223 -3.040 595 HB2 GLN 71 1HB GLN 71 -1.816 14.164 -1.713 596 HB3 GLN 71 2HB GLN 71 -2.868 15.559 -1.512 597 HG2 GLN 71 1HG GLN 71 -3.986 12.853 -1.007 598 HG3 GLN 71 2HG GLN 71 -2.898 13.559 0.187 599 HE21 GLN 71 1HE2 GLN 71 -5.873 14.115 -1.614 600 HE22 GLN 71 2HE2 GLN 71 -6.610 15.141 -0.435 601 H GLN 72 H GLN 72 -3.594 14.328 -5.641 602 HA GLN 72 HA GLN 72 -1.816 16.221 -6.442 603 HB2 GLN 72 1HB GLN 72 -3.575 14.759 -7.769 604 HB3 GLN 72 2HB GLN 72 -4.501 16.254 -7.747 605 HG2 GLN 72 1HG GLN 72 -3.375 16.444 -9.730 606 HG3 GLN 72 2HG GLN 72 -2.301 17.314 -8.635 607 HE21 GLN 72 1HE2 GLN 72 -0.347 16.374 -8.026 608 HE22 GLN 72 2HE2 GLN 72 0.346 15.054 -8.899 609 H ARG 73 H ARG 73 -2.063 18.459 -7.127 610 HA ARG 73 HA ARG 73 -2.595 20.268 -5.245 611 HB2 ARG 73 1HB ARG 73 -2.965 20.445 -8.215 612 HB3 ARG 73 2HB ARG 73 -3.361 21.826 -7.200 613 HG2 ARG 73 1HG ARG 73 -0.709 20.539 -6.839 614 HG3 ARG 73 2HG ARG 73 -0.975 21.530 -8.275 615 HD2 ARG 73 1HD ARG 73 -0.103 23.003 -6.667 616 HD3 ARG 73 2HD ARG 73 -1.837 23.319 -6.687 617 HE ARG 73 HE ARG 73 -0.955 21.411 -4.701 618 HH11 ARG 73 2HH1 ARG 73 -1.660 24.742 -5.428 619 HH12 ARG 73 1HH1 ARG 73 -1.910 25.186 -3.772 620 HH21 ARG 73 2HH2 ARG 73 -1.282 21.983 -2.517 621 HH22 ARG 73 1HH2 ARG 73 -1.694 23.616 -2.117 622 H ARG 74 H ARG 74 -5.027 18.684 -7.211 623 HA ARG 74 HA ARG 74 -7.279 20.089 -6.993 624 HB2 ARG 74 1HB ARG 74 -6.969 17.164 -6.302 625 HB3 ARG 74 2HB ARG 74 -8.518 17.948 -6.577 626 HG2 ARG 74 1HG ARG 74 -6.326 17.949 -8.628 627 HG3 ARG 74 2HG ARG 74 -7.531 16.664 -8.517 628 HD2 ARG 74 1HD ARG 74 -9.215 18.677 -8.549 629 HD3 ARG 74 2HD ARG 74 -7.862 19.523 -9.298 630 HE ARG 74 HE ARG 74 -8.256 17.063 -10.601 631 HH11 ARG 74 2HH1 ARG 74 -9.762 20.178 -10.216 632 HH12 ARG 74 1HH1 ARG 74 -10.541 20.138 -11.763 633 HH21 ARG 74 2HH2 ARG 74 -9.276 16.999 -12.641 634 HH22 ARG 74 1HH2 ARG 74 -10.265 18.329 -13.141 635 H ASN 75 H ASN 75 -8.786 20.704 -5.493 636 HA ASN 75 HA ASN 75 -8.183 21.528 -3.033 637 HB2 ASN 75 1HB ASN 75 -10.492 21.557 -2.473 638 HB3 ASN 75 2HB ASN 75 -10.421 21.732 -4.224 639 HD21 ASN 75 1HD2 ASN 75 -11.616 19.926 -1.624 640 HD22 ASN 75 2HD2 ASN 75 -12.359 18.657 -2.532 641 H ASP 76 H ASP 76 -6.971 20.451 -1.597 642 HA ASP 76 HA ASP 76 -7.857 17.759 -0.788 643 HB2 ASP 76 1HB ASP 76 -5.532 17.370 -0.047 644 HB3 ASP 76 2HB ASP 76 -5.627 17.725 -1.770 645 HA PRO 77 HA PRO 77 -8.803 19.368 3.195 646 HB2 PRO 77 1HB PRO 77 -8.595 17.085 4.649 647 HB3 PRO 77 2HB PRO 77 -9.944 17.406 3.552 648 HG2 PRO 77 1HG PRO 77 -7.492 15.747 3.105 649 HG3 PRO 77 2HG PRO 77 -9.176 15.395 2.672 650 HD2 PRO 77 1HD PRO 77 -7.369 16.310 0.874 651 HD3 PRO 77 2HD PRO 77 -9.096 16.711 0.782 652 H SER 78 H SER 78 -7.930 19.120 5.548 653 HA SER 78 HA SER 78 -5.235 20.025 5.533 654 HB2 SER 78 1HB SER 78 -7.145 20.628 7.176 655 HB3 SER 78 2HB SER 78 -6.691 19.145 8.016 656 HG SER 78 HG SER 78 -5.045 20.161 8.815 657 H GLY 79 H GLY 79 -3.363 19.014 6.076 658 HA2 GLY 79 1HA GLY 79 -3.072 16.652 7.518 659 HA3 GLY 79 2HA GLY 79 -3.227 16.195 5.828 660 HA PRO 80 HA PRO 80 1.171 17.641 7.047 661 HB2 PRO 80 1HB PRO 80 2.338 15.225 7.467 662 HB3 PRO 80 2HB PRO 80 1.588 16.168 8.760 663 HG2 PRO 80 1HG PRO 80 0.481 13.854 7.217 664 HG3 PRO 80 2HG PRO 80 0.389 14.185 8.957 665 HD2 PRO 80 1HD PRO 80 -1.666 14.691 7.267 666 HD3 PRO 80 2HD PRO 80 -1.350 15.678 8.709 667 H SER 81 H SER 81 3.072 17.296 5.741 668 HA SER 81 HA SER 81 2.990 15.468 3.526 669 HB2 SER 81 1HB SER 81 2.532 18.418 3.087 670 HB3 SER 81 2HB SER 81 3.171 17.369 1.822 671 HG SER 81 HG SER 81 1.022 17.298 1.519 672 H SER 82 H SER 82 4.941 15.571 2.211 673 HA SER 82 HA SER 82 7.104 17.284 2.852 674 HB2 SER 82 1HB SER 82 8.520 15.875 4.128 675 HB3 SER 82 2HB SER 82 6.944 15.774 4.914 676 HG SER 82 HG SER 82 6.615 13.824 3.665 677 H GLY 83 H GLY 83 9.098 16.677 1.719 678 HA2 GLY 83 1HA GLY 83 9.718 14.603 0.156 679 HA3 GLY 83 2HA GLY 83 8.445 15.358 -0.791 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -1.580 -15.636 18.398 2 HA2 GLY 1 1HA GLY 1 0.045 -13.844 16.850 3 HA3 GLY 1 2HA GLY 1 0.954 -14.650 18.120 4 H SER 2 H SER 2 -1.632 -15.767 15.942 5 HA SER 2 HA SER 2 0.234 -17.807 14.928 6 HB2 SER 2 1HB SER 2 -2.664 -18.193 15.711 7 HB3 SER 2 2HB SER 2 -1.704 -19.388 14.839 8 HG SER 2 HG SER 2 -0.270 -19.406 16.639 9 H SER 3 H SER 3 -0.700 -18.867 12.885 10 HA SER 3 HA SER 3 -1.734 -16.719 11.159 11 HB2 SER 3 1HB SER 3 -0.662 -17.902 9.294 12 HB3 SER 3 2HB SER 3 0.511 -17.540 10.561 13 HG SER 3 HG SER 3 0.795 -19.601 10.871 14 H GLY 4 H GLY 4 -1.892 -20.248 11.625 15 HA2 GLY 4 1HA GLY 4 -3.513 -21.774 11.032 16 HA3 GLY 4 2HA GLY 4 -4.615 -20.540 11.627 17 H SER 5 H SER 5 -2.525 -20.706 8.749 18 HA SER 5 HA SER 5 -4.361 -19.429 7.059 19 HB2 SER 5 1HB SER 5 -1.824 -19.855 6.733 20 HB3 SER 5 2HB SER 5 -2.326 -21.396 6.038 21 HG SER 5 HG SER 5 -3.800 -19.928 4.733 22 H SER 6 H SER 6 -6.064 -20.118 5.918 23 HA SER 6 HA SER 6 -6.505 -23.015 5.664 24 HB2 SER 6 1HB SER 6 -7.894 -21.687 7.480 25 HB3 SER 6 2HB SER 6 -8.850 -21.205 6.078 26 HG SER 6 HG SER 6 -8.207 -23.912 6.488 27 H GLY 7 H GLY 7 -7.524 -19.796 4.540 28 HA2 GLY 7 1HA GLY 7 -7.583 -19.099 2.296 29 HA3 GLY 7 2HA GLY 7 -7.448 -20.777 1.794 30 H LYS 8 H LYS 8 -9.390 -18.352 1.384 31 HA LYS 8 HA LYS 8 -11.763 -20.035 1.244 32 HB2 LYS 8 1HB LYS 8 -11.634 -17.439 2.778 33 HB3 LYS 8 2HB LYS 8 -13.146 -18.143 2.221 34 HG2 LYS 8 1HG LYS 8 -12.658 -20.168 3.534 35 HG3 LYS 8 2HG LYS 8 -11.189 -19.397 4.136 36 HD2 LYS 8 1HD LYS 8 -13.791 -17.972 4.433 37 HD3 LYS 8 2HD LYS 8 -13.425 -19.315 5.518 38 HE2 LYS 8 1HE LYS 8 -11.210 -18.143 5.960 39 HE3 LYS 8 2HE LYS 8 -11.911 -16.742 5.150 40 HZ1 LYS 8 1HZ LYS 8 -13.356 -18.037 7.365 41 HZ2 LYS 8 2HZ LYS 8 -13.450 -16.439 6.818 42 HZ3 LYS 8 3HZ LYS 8 -12.100 -16.954 7.699 43 H LYS 9 H LYS 9 -13.556 -18.878 0.049 44 HA LYS 9 HA LYS 9 -12.452 -16.989 -1.923 45 HB2 LYS 9 1HB LYS 9 -14.120 -18.175 -3.530 46 HB3 LYS 9 2HB LYS 9 -12.561 -18.921 -3.203 47 HG2 LYS 9 1HG LYS 9 -14.943 -19.658 -1.559 48 HG3 LYS 9 2HG LYS 9 -14.712 -20.362 -3.161 49 HD2 LYS 9 1HD LYS 9 -12.381 -20.997 -2.390 50 HD3 LYS 9 2HD LYS 9 -12.905 -20.562 -0.762 51 HE2 LYS 9 1HE LYS 9 -14.722 -22.201 -0.921 52 HE3 LYS 9 2HE LYS 9 -14.183 -22.638 -2.541 53 HZ1 LYS 9 1HZ LYS 9 -13.423 -23.945 -0.379 54 HZ2 LYS 9 2HZ LYS 9 -12.196 -22.782 -0.416 55 HZ3 LYS 9 3HZ LYS 9 -12.435 -23.801 -1.745 56 H ARG 10 H ARG 10 -13.431 -15.116 -1.482 57 HA ARG 10 HA ARG 10 -16.185 -14.753 -1.936 58 HB2 ARG 10 1HB ARG 10 -15.966 -15.834 0.467 59 HB3 ARG 10 2HB ARG 10 -15.573 -14.184 0.930 60 HG2 ARG 10 1HG ARG 10 -17.749 -13.588 -0.365 61 HG3 ARG 10 2HG ARG 10 -18.130 -15.294 -0.127 62 HD2 ARG 10 1HD ARG 10 -19.088 -13.997 1.668 63 HD3 ARG 10 2HD ARG 10 -17.782 -15.000 2.298 64 HE ARG 10 HE ARG 10 -16.542 -12.663 1.782 65 HH11 ARG 10 2HH1 ARG 10 -19.444 -13.469 3.528 66 HH12 ARG 10 1HH1 ARG 10 -19.303 -12.143 4.633 67 HH21 ARG 10 2HH2 ARG 10 -16.345 -10.913 3.232 68 HH22 ARG 10 1HH2 ARG 10 -17.541 -10.689 4.464 69 H LYS 11 H LYS 11 -16.858 -12.513 -1.658 70 HA LYS 11 HA LYS 11 -14.643 -10.709 -2.136 71 HB2 LYS 11 1HB LYS 11 -17.623 -10.531 -2.397 72 HB3 LYS 11 2HB LYS 11 -16.664 -9.057 -2.375 73 HG2 LYS 11 1HG LYS 11 -16.833 -9.485 -4.626 74 HG3 LYS 11 2HG LYS 11 -15.284 -10.234 -4.232 75 HD2 LYS 11 1HD LYS 11 -16.256 -11.922 -5.438 76 HD3 LYS 11 2HD LYS 11 -16.796 -12.351 -3.814 77 HE2 LYS 11 1HE LYS 11 -18.476 -10.532 -5.478 78 HE3 LYS 11 2HE LYS 11 -18.489 -12.262 -5.818 79 HZ1 LYS 11 1HZ LYS 11 -19.800 -10.854 -3.750 80 HZ2 LYS 11 2HZ LYS 11 -18.748 -11.993 -3.074 81 HZ3 LYS 11 3HZ LYS 11 -19.934 -12.487 -4.174 82 H GLY 12 H GLY 12 -13.961 -9.078 -0.832 83 HA2 GLY 12 1HA GLY 12 -15.356 -7.874 1.248 84 HA3 GLY 12 2HA GLY 12 -14.512 -9.248 1.946 85 H ASN 13 H ASN 13 -14.224 -6.214 2.122 86 HA ASN 13 HA ASN 13 -11.669 -5.610 1.000 87 HB2 ASN 13 1HB ASN 13 -13.478 -4.245 2.974 88 HB3 ASN 13 2HB ASN 13 -11.846 -3.646 2.695 89 HD21 ASN 13 1HD2 ASN 13 -11.319 -3.489 0.260 90 HD22 ASN 13 2HD2 ASN 13 -12.525 -2.713 -0.702 91 H LEU 14 H LEU 14 -9.706 -5.232 2.142 92 HA LEU 14 HA LEU 14 -9.230 -7.186 4.214 93 HB2 LEU 14 1HB LEU 14 -7.216 -5.195 3.244 94 HB3 LEU 14 2HB LEU 14 -6.954 -6.826 3.859 95 HG LEU 14 HG LEU 14 -8.388 -6.390 1.264 96 HD11 LEU 14 1HD1 LEU 14 -6.403 -6.304 0.040 97 HD12 LEU 14 2HD1 LEU 14 -5.417 -6.765 1.427 98 HD13 LEU 14 3HD1 LEU 14 -6.145 -5.160 1.358 99 HD21 LEU 14 1HD2 LEU 14 -8.375 -8.607 1.228 100 HD22 LEU 14 2HD2 LEU 14 -7.607 -8.621 2.816 101 HD23 LEU 14 3HD2 LEU 14 -6.616 -8.618 1.357 102 HA PRO 15 HA PRO 15 -9.537 -4.526 7.699 103 HB2 PRO 15 1HB PRO 15 -7.794 -5.750 9.383 104 HB3 PRO 15 2HB PRO 15 -9.380 -6.423 8.986 105 HG2 PRO 15 1HG PRO 15 -6.693 -7.119 7.866 106 HG3 PRO 15 2HG PRO 15 -8.016 -8.195 8.349 107 HD2 PRO 15 1HD PRO 15 -7.542 -7.539 5.765 108 HD3 PRO 15 2HD PRO 15 -9.174 -7.859 6.385 109 H ALA 16 H ALA 16 -8.620 -2.675 8.399 110 HA ALA 16 HA ALA 16 -6.665 -1.305 7.217 111 HB1 ALA 16 1HB ALA 16 -8.125 -0.847 9.415 112 HB2 ALA 16 2HB ALA 16 -6.543 -1.080 10.160 113 HB3 ALA 16 3HB ALA 16 -6.764 0.166 8.932 114 H GLU 17 H GLU 17 -5.950 -3.136 10.200 115 HA GLU 17 HA GLU 17 -3.292 -2.934 10.400 116 HB2 GLU 17 1HB GLU 17 -4.859 -4.421 11.753 117 HB3 GLU 17 2HB GLU 17 -4.588 -5.653 10.529 118 HG2 GLU 17 1HG GLU 17 -2.125 -5.413 11.006 119 HG3 GLU 17 2HG GLU 17 -2.580 -4.435 12.400 120 H SER 18 H SER 18 -4.832 -5.389 8.320 121 HA SER 18 HA SER 18 -2.414 -6.251 7.134 122 HB2 SER 18 1HB SER 18 -4.118 -7.815 6.924 123 HB3 SER 18 2HB SER 18 -5.322 -6.600 6.497 124 HG SER 18 HG SER 18 -4.433 -6.461 4.458 125 H VAL 19 H VAL 19 -4.839 -3.866 6.190 126 HA VAL 19 HA VAL 19 -3.969 -3.308 3.609 127 HB VAL 19 HB VAL 19 -5.141 -1.388 5.626 128 HG11 VAL 19 1HG1 VAL 19 -4.585 -1.155 2.695 129 HG12 VAL 19 2HG1 VAL 19 -5.931 -0.277 3.423 130 HG13 VAL 19 3HG1 VAL 19 -4.284 0.008 3.986 131 HG21 VAL 19 1HG2 VAL 19 -6.772 -2.471 3.425 132 HG22 VAL 19 2HG2 VAL 19 -6.316 -3.624 4.679 133 HG23 VAL 19 3HG2 VAL 19 -7.198 -2.158 5.107 134 H LYS 20 H LYS 20 -3.057 -1.649 6.631 135 HA LYS 20 HA LYS 20 -1.336 0.242 5.783 136 HB2 LYS 20 1HB LYS 20 -1.758 -0.114 8.138 137 HB3 LYS 20 2HB LYS 20 -0.922 -1.661 8.094 138 HG2 LYS 20 1HG LYS 20 1.173 -0.662 7.910 139 HG3 LYS 20 2HG LYS 20 0.494 0.883 7.393 140 HD2 LYS 20 1HD LYS 20 -0.553 1.069 9.670 141 HD3 LYS 20 2HD LYS 20 0.387 -0.348 10.143 142 HE2 LYS 20 1HE LYS 20 1.560 2.213 9.067 143 HE3 LYS 20 2HE LYS 20 1.443 1.807 10.778 144 HZ1 LYS 20 1HZ LYS 20 3.598 1.211 10.131 145 HZ2 LYS 20 2HZ LYS 20 3.076 0.483 8.696 146 HZ3 LYS 20 3HZ LYS 20 2.753 -0.254 10.184 147 H ILE 21 H ILE 21 -0.636 -3.215 5.965 148 HA ILE 21 HA ILE 21 2.099 -3.059 5.307 149 HB ILE 21 HB ILE 21 0.114 -5.295 4.900 150 HG12 ILE 21 1HG1 ILE 21 1.747 -6.177 6.817 151 HG13 ILE 21 2HG1 ILE 21 1.951 -4.449 7.089 152 HG21 ILE 21 1HG2 ILE 21 2.815 -6.207 5.036 153 HG22 ILE 21 2HG2 ILE 21 1.631 -6.433 3.750 154 HG23 ILE 21 3HG2 ILE 21 2.672 -5.010 3.748 155 HD11 ILE 21 1HD1 ILE 21 0.085 -4.442 8.265 156 HD12 ILE 21 2HD1 ILE 21 -0.814 -4.932 6.829 157 HD13 ILE 21 3HD1 ILE 21 -0.161 -6.154 7.920 158 H LEU 22 H LEU 22 -0.791 -3.500 3.299 159 HA LEU 22 HA LEU 22 0.682 -3.681 0.854 160 HB2 LEU 22 1HB LEU 22 -2.237 -3.195 1.418 161 HB3 LEU 22 2HB LEU 22 -1.567 -3.400 -0.199 162 HG LEU 22 HG LEU 22 -1.601 -5.470 1.997 163 HD11 LEU 22 1HD1 LEU 22 -3.302 -4.929 -0.381 164 HD12 LEU 22 2HD1 LEU 22 -3.748 -5.521 1.219 165 HD13 LEU 22 3HD1 LEU 22 -2.977 -6.605 0.061 166 HD21 LEU 22 1HD2 LEU 22 -0.931 -6.860 -0.162 167 HD22 LEU 22 2HD2 LEU 22 0.277 -6.108 0.881 168 HD23 LEU 22 3HD2 LEU 22 -0.210 -5.317 -0.619 169 H ARG 23 H ARG 23 -1.491 -1.177 2.175 170 HA ARG 23 HA ARG 23 -1.232 0.769 0.289 171 HB2 ARG 23 1HB ARG 23 -1.604 0.834 3.243 172 HB3 ARG 23 2HB ARG 23 -1.246 2.352 2.431 173 HG2 ARG 23 1HG ARG 23 -3.177 1.918 0.918 174 HG3 ARG 23 2HG ARG 23 -3.572 0.516 1.915 175 HD2 ARG 23 1HD ARG 23 -4.931 2.277 2.705 176 HD3 ARG 23 2HD ARG 23 -3.632 2.101 3.885 177 HE ARG 23 HE ARG 23 -3.035 4.051 1.883 178 HH11 ARG 23 2HH1 ARG 23 -4.747 3.502 4.864 179 HH12 ARG 23 1HH1 ARG 23 -4.706 5.165 5.346 180 HH21 ARG 23 2HH2 ARG 23 -2.975 6.245 2.506 181 HH22 ARG 23 1HH2 ARG 23 -3.699 6.725 4.003 182 H ASP 24 H ASP 24 0.885 0.473 3.147 183 HA ASP 24 HA ASP 24 2.665 2.465 2.728 184 HB2 ASP 24 1HB ASP 24 2.645 0.585 4.519 185 HB3 ASP 24 2HB ASP 24 3.709 -0.270 3.405 186 H TRP 25 H TRP 25 2.827 -0.741 1.199 187 HA TRP 25 HA TRP 25 5.114 -0.106 -0.378 188 HB2 TRP 25 1HB TRP 25 4.650 -2.415 0.165 189 HB3 TRP 25 2HB TRP 25 3.072 -2.323 -0.612 190 HD1 TRP 25 HD TRP 25 6.634 -3.169 -1.306 191 HE1 TRP 25 1HE TRP 25 6.951 -3.669 -3.811 192 HE3 TRP 25 3HE TRP 25 2.141 -1.464 -3.051 193 HZ2 TRP 25 2HZ TRP 25 5.491 -3.379 -6.209 194 HZ3 TRP 25 3HZ TRP 25 1.680 -1.611 -5.463 195 HH2 TRP 25 HH TRP 25 3.322 -2.549 -7.008 196 H MET 26 H MET 26 1.636 -0.011 -0.911 197 HA MET 26 HA MET 26 1.694 0.427 -3.693 198 HB2 MET 26 1HB MET 26 -0.369 -0.230 -2.709 199 HB3 MET 26 2HB MET 26 -0.335 1.110 -1.570 200 HG2 MET 26 1HG MET 26 -1.902 1.792 -3.115 201 HG3 MET 26 2HG MET 26 -0.437 2.603 -3.664 202 HE1 MET 26 1HE MET 26 -3.161 1.313 -6.262 203 HE2 MET 26 2HE MET 26 -3.234 -0.170 -5.310 204 HE3 MET 26 3HE MET 26 -3.328 1.399 -4.508 205 H TYR 27 H TYR 27 2.268 2.512 -0.989 206 HA TYR 27 HA TYR 27 1.838 4.980 -2.358 207 HB2 TYR 27 1HB TYR 27 1.734 4.789 0.102 208 HB3 TYR 27 2HB TYR 27 3.455 4.424 0.138 209 HD1 TYR 27 2HD TYR 27 1.065 7.055 -0.990 210 HD2 TYR 27 1HD TYR 27 4.984 6.153 0.398 211 HE1 TYR 27 2HE TYR 27 1.565 9.460 -0.856 212 HE2 TYR 27 1HE TYR 27 5.495 8.555 0.537 213 HH TYR 27 HH TYR 27 4.788 10.632 -0.170 214 H LYS 28 H LYS 28 4.787 3.248 -1.358 215 HA LYS 28 HA LYS 28 6.592 4.998 -2.626 216 HB2 LYS 28 1HB LYS 28 6.791 2.156 -1.668 217 HB3 LYS 28 2HB LYS 28 8.133 2.923 -2.507 218 HG2 LYS 28 1HG LYS 28 8.091 4.723 -0.789 219 HG3 LYS 28 2HG LYS 28 6.875 3.789 0.086 220 HD2 LYS 28 1HD LYS 28 9.392 2.415 -0.699 221 HD3 LYS 28 2HD LYS 28 9.463 3.580 0.626 222 HE2 LYS 28 1HE LYS 28 7.295 1.540 0.634 223 HE3 LYS 28 2HE LYS 28 8.930 1.031 1.055 224 HZ1 LYS 28 1HZ LYS 28 7.281 1.914 2.865 225 HZ2 LYS 28 2HZ LYS 28 7.840 3.424 2.348 226 HZ3 LYS 28 3HZ LYS 28 8.931 2.278 2.947 227 H HIS 29 H HIS 29 4.865 2.154 -3.746 228 HA HIS 29 HA HIS 29 6.171 2.374 -6.365 229 HB2 HIS 29 1HB HIS 29 4.379 0.186 -5.290 230 HB3 HIS 29 2HB HIS 29 5.224 0.163 -6.835 231 HD1 HIS 29 1HD HIS 29 7.885 0.031 -6.690 232 HD2 HIS 29 2HD HIS 29 5.841 -0.694 -3.146 233 HE1 HIS 29 1HE HIS 29 9.550 -1.080 -5.169 234 HE2 HIS 29 2HE HIS 29 8.267 -1.587 -3.061 235 H ARG 30 H ARG 30 3.642 3.723 -4.893 236 HA ARG 30 HA ARG 30 1.329 3.351 -6.232 237 HB2 ARG 30 1HB ARG 30 0.711 5.547 -5.690 238 HB3 ARG 30 2HB ARG 30 1.921 5.134 -4.482 239 HG2 ARG 30 1HG ARG 30 3.615 6.304 -5.904 240 HG3 ARG 30 2HG ARG 30 2.281 6.859 -6.918 241 HD2 ARG 30 1HD ARG 30 1.266 7.948 -4.968 242 HD3 ARG 30 2HD ARG 30 2.615 7.405 -3.970 243 HE ARG 30 HE ARG 30 2.614 9.584 -5.867 244 HH11 ARG 30 2HH1 ARG 30 4.530 7.361 -3.996 245 HH12 ARG 30 1HH1 ARG 30 5.950 8.353 -4.029 246 HH21 ARG 30 2HH2 ARG 30 4.476 10.900 -5.918 247 HH22 ARG 30 1HH2 ARG 30 5.918 10.366 -5.122 248 H PHE 31 H PHE 31 4.265 4.662 -7.548 249 HA PHE 31 HA PHE 31 3.531 6.076 -9.736 250 HB2 PHE 31 1HB PHE 31 5.742 4.155 -9.218 251 HB3 PHE 31 2HB PHE 31 5.484 4.655 -10.886 252 HD1 PHE 31 2HD PHE 31 4.742 6.895 -8.096 253 HD2 PHE 31 1HD PHE 31 7.618 5.770 -11.025 254 HE1 PHE 31 2HE PHE 31 5.991 8.971 -7.662 255 HE2 PHE 31 1HE PHE 31 8.872 7.843 -10.595 256 HZ PHE 31 HZ PHE 31 8.058 9.448 -8.913 257 H LYS 32 H LYS 32 3.770 2.522 -9.661 258 HA LYS 32 HA LYS 32 2.164 2.417 -12.116 259 HB2 LYS 32 1HB LYS 32 2.981 0.174 -12.416 260 HB3 LYS 32 2HB LYS 32 4.352 1.223 -12.079 261 HG2 LYS 32 1HG LYS 32 3.100 -0.136 -9.769 262 HG3 LYS 32 2HG LYS 32 4.015 -1.135 -10.899 263 HD2 LYS 32 1HD LYS 32 5.256 1.403 -9.987 264 HD3 LYS 32 2HD LYS 32 5.159 0.077 -8.827 265 HE2 LYS 32 1HE LYS 32 6.233 -0.346 -11.595 266 HE3 LYS 32 2HE LYS 32 7.260 0.268 -10.301 267 HZ1 LYS 32 1HZ LYS 32 7.389 -1.736 -9.365 268 HZ2 LYS 32 2HZ LYS 32 6.808 -2.344 -10.833 269 HZ3 LYS 32 3HZ LYS 32 5.738 -2.054 -9.554 270 H ALA 33 H ALA 33 2.198 1.508 -8.751 271 HA ALA 33 HA ALA 33 0.594 0.684 -7.362 272 HB1 ALA 33 1HB ALA 33 -1.329 1.778 -7.583 273 HB2 ALA 33 2HB ALA 33 -0.720 2.391 -9.120 274 HB3 ALA 33 3HB ALA 33 -1.712 0.934 -9.083 275 H TYR 34 H TYR 34 1.957 -1.233 -8.723 276 HA TYR 34 HA TYR 34 0.070 -3.398 -8.725 277 HB2 TYR 34 1HB TYR 34 1.417 -2.558 -11.292 278 HB3 TYR 34 2HB TYR 34 0.772 -4.177 -11.040 279 HD1 TYR 34 1HD TYR 34 -1.751 -4.168 -10.123 280 HD2 TYR 34 2HD TYR 34 0.060 -1.043 -12.372 281 HE1 TYR 34 1HE TYR 34 -3.976 -3.396 -10.831 282 HE2 TYR 34 2HE TYR 34 -2.160 -0.262 -13.085 283 HH TYR 34 HH TYR 34 -5.112 -1.973 -12.105 284 HA PRO 35 HA PRO 35 4.031 -4.817 -7.098 285 HB2 PRO 35 1HB PRO 35 2.970 -6.932 -5.767 286 HB3 PRO 35 2HB PRO 35 2.931 -5.282 -5.135 287 HG2 PRO 35 1HG PRO 35 0.787 -6.820 -6.548 288 HG3 PRO 35 2HG PRO 35 0.659 -5.776 -5.120 289 HD2 PRO 35 1HD PRO 35 -0.035 -4.943 -7.602 290 HD3 PRO 35 2HD PRO 35 0.638 -3.845 -6.380 291 H SER 36 H SER 36 5.196 -6.887 -7.235 292 HA SER 36 HA SER 36 4.511 -8.280 -9.722 293 HB2 SER 36 1HB SER 36 6.739 -7.292 -9.657 294 HB3 SER 36 2HB SER 36 7.111 -8.167 -8.172 295 HG SER 36 HG SER 36 7.644 -9.002 -10.518 296 H GLU 37 H GLU 37 4.611 -10.564 -9.864 297 HA GLU 37 HA GLU 37 3.234 -12.051 -8.111 298 HB2 GLU 37 1HB GLU 37 4.288 -12.734 -10.364 299 HB3 GLU 37 2HB GLU 37 5.665 -13.259 -9.405 300 HG2 GLU 37 1HG GLU 37 3.901 -14.592 -8.058 301 HG3 GLU 37 2HG GLU 37 2.890 -14.354 -9.482 302 H GLU 38 H GLU 38 6.544 -11.050 -7.725 303 HA GLU 38 HA GLU 38 7.036 -12.815 -5.488 304 HB2 GLU 38 1HB GLU 38 8.612 -10.691 -6.899 305 HB3 GLU 38 2HB GLU 38 9.130 -11.258 -5.318 306 HG2 GLU 38 1HG GLU 38 10.338 -12.614 -6.714 307 HG3 GLU 38 2HG GLU 38 8.924 -13.615 -6.390 308 H GLU 39 H GLU 39 6.547 -9.333 -5.984 309 HA GLU 39 HA GLU 39 6.844 -8.481 -3.358 310 HB2 GLU 39 1HB GLU 39 4.908 -7.377 -5.400 311 HB3 GLU 39 2HB GLU 39 5.526 -6.532 -3.987 312 HG2 GLU 39 1HG GLU 39 7.357 -7.570 -6.119 313 HG3 GLU 39 2HG GLU 39 6.564 -6.001 -6.257 314 H LYS 40 H LYS 40 3.861 -9.465 -5.032 315 HA LYS 40 HA LYS 40 2.075 -9.119 -2.941 316 HB2 LYS 40 1HB LYS 40 1.716 -11.501 -4.689 317 HB3 LYS 40 2HB LYS 40 0.556 -10.263 -4.225 318 HG2 LYS 40 1HG LYS 40 1.969 -8.703 -5.719 319 HG3 LYS 40 2HG LYS 40 2.613 -10.202 -6.393 320 HD2 LYS 40 1HD LYS 40 0.259 -10.922 -6.831 321 HD3 LYS 40 2HD LYS 40 -0.268 -9.313 -6.332 322 HE2 LYS 40 1HE LYS 40 0.953 -8.293 -8.129 323 HE3 LYS 40 2HE LYS 40 1.698 -9.833 -8.557 324 HZ1 LYS 40 1HZ LYS 40 -0.668 -8.773 -9.535 325 HZ2 LYS 40 2HZ LYS 40 -1.112 -10.090 -8.572 326 HZ3 LYS 40 3HZ LYS 40 -0.021 -10.305 -9.847 327 H GLN 41 H GLN 41 3.423 -12.274 -3.927 328 HA GLN 41 HA GLN 41 2.627 -13.827 -1.858 329 HB2 GLN 41 1HB GLN 41 4.132 -14.391 -3.891 330 HB3 GLN 41 2HB GLN 41 5.469 -14.021 -2.811 331 HG2 GLN 41 1HG GLN 41 4.796 -16.450 -3.013 332 HG3 GLN 41 2HG GLN 41 4.957 -15.801 -1.382 333 HE21 GLN 41 1HE2 GLN 41 3.170 -15.622 -0.088 334 HE22 GLN 41 2HE2 GLN 41 1.633 -16.294 -0.500 335 H MET 42 H MET 42 5.300 -11.530 -1.822 336 HA MET 42 HA MET 42 6.352 -12.244 0.695 337 HB2 MET 42 1HB MET 42 7.828 -10.930 -0.473 338 HB3 MET 42 2HB MET 42 6.564 -9.887 -1.111 339 HG2 MET 42 1HG MET 42 6.328 -8.889 1.150 340 HG3 MET 42 2HG MET 42 7.712 -9.850 1.668 341 HE1 MET 42 1HE MET 42 7.541 -6.596 -1.455 342 HE2 MET 42 2HE MET 42 6.229 -7.393 -0.586 343 HE3 MET 42 3HE MET 42 7.102 -6.058 0.167 344 H LEU 43 H LEU 43 4.083 -9.665 -0.242 345 HA LEU 43 HA LEU 43 3.644 -8.699 2.369 346 HB2 LEU 43 1HB LEU 43 1.704 -8.593 0.068 347 HB3 LEU 43 2HB LEU 43 1.777 -7.509 1.456 348 HG LEU 43 HG LEU 43 4.134 -7.658 -0.362 349 HD11 LEU 43 1HD1 LEU 43 1.745 -5.941 -0.984 350 HD12 LEU 43 2HD1 LEU 43 2.059 -7.481 -1.783 351 HD13 LEU 43 3HD1 LEU 43 3.213 -6.156 -1.938 352 HD21 LEU 43 1HD2 LEU 43 2.820 -5.348 1.060 353 HD22 LEU 43 2HD2 LEU 43 4.411 -5.372 0.298 354 HD23 LEU 43 3HD2 LEU 43 4.112 -6.333 1.748 355 H SER 44 H SER 44 1.881 -11.057 0.393 356 HA SER 44 HA SER 44 -0.319 -11.545 1.936 357 HB2 SER 44 1HB SER 44 -0.215 -12.747 -0.073 358 HB3 SER 44 2HB SER 44 1.393 -13.380 0.280 359 HG SER 44 HG SER 44 0.483 -14.725 1.834 360 H GLU 45 H GLU 45 2.964 -12.179 2.729 361 HA GLU 45 HA GLU 45 2.439 -14.158 4.742 362 HB2 GLU 45 1HB GLU 45 4.887 -12.477 4.180 363 HB3 GLU 45 2HB GLU 45 4.820 -13.763 5.376 364 HG2 GLU 45 1HG GLU 45 4.506 -14.041 2.398 365 HG3 GLU 45 2HG GLU 45 5.859 -14.591 3.385 366 H LYS 46 H LYS 46 3.050 -10.678 4.698 367 HA LYS 46 HA LYS 46 2.945 -10.440 7.563 368 HB2 LYS 46 1HB LYS 46 3.106 -8.480 5.291 369 HB3 LYS 46 2HB LYS 46 2.807 -7.930 6.934 370 HG2 LYS 46 1HG LYS 46 5.108 -7.729 6.678 371 HG3 LYS 46 2HG LYS 46 4.912 -9.246 7.559 372 HD2 LYS 46 1HD LYS 46 5.310 -10.533 5.610 373 HD3 LYS 46 2HD LYS 46 5.157 -9.122 4.561 374 HE2 LYS 46 1HE LYS 46 7.188 -8.175 5.555 375 HE3 LYS 46 2HE LYS 46 7.341 -9.595 6.588 376 HZ1 LYS 46 1HZ LYS 46 7.119 -10.142 3.751 377 HZ2 LYS 46 2HZ LYS 46 8.137 -10.834 4.912 378 HZ3 LYS 46 3HZ LYS 46 8.536 -9.343 4.217 379 H THR 47 H THR 47 0.709 -10.172 4.905 380 HA THR 47 HA THR 47 -1.371 -9.068 6.636 381 HB THR 47 HB THR 47 -2.740 -8.943 4.583 382 HG1 THR 47 1HG THR 47 -0.391 -9.948 3.313 383 HG21 THR 47 1HG2 THR 47 -0.001 -7.703 4.570 384 HG22 THR 47 2HG2 THR 47 -1.538 -6.972 5.031 385 HG23 THR 47 3HG2 THR 47 -1.201 -7.322 3.336 386 H ASN 48 H ASN 48 -0.427 -12.033 5.069 387 HA ASN 48 HA ASN 48 -1.143 -14.177 5.386 388 HB2 ASN 48 1HB ASN 48 -1.609 -13.302 7.760 389 HB3 ASN 48 2HB ASN 48 -3.288 -13.169 7.246 390 HD21 ASN 48 1HD2 ASN 48 -0.645 -15.355 7.869 391 HD22 ASN 48 2HD2 ASN 48 -1.601 -16.789 7.989 392 H LEU 49 H LEU 49 -2.149 -12.476 3.315 393 HA LEU 49 HA LEU 49 -4.902 -13.452 2.985 394 HB2 LEU 49 1HB LEU 49 -3.552 -11.392 1.270 395 HB3 LEU 49 2HB LEU 49 -5.277 -11.704 1.455 396 HG LEU 49 HG LEU 49 -3.616 -10.661 3.730 397 HD11 LEU 49 1HD1 LEU 49 -3.207 -8.928 2.301 398 HD12 LEU 49 2HD1 LEU 49 -4.775 -8.434 2.936 399 HD13 LEU 49 3HD1 LEU 49 -4.670 -9.211 1.357 400 HD21 LEU 49 1HD2 LEU 49 -5.877 -11.617 4.148 401 HD22 LEU 49 2HD2 LEU 49 -6.549 -10.373 3.094 402 HD23 LEU 49 3HD2 LEU 49 -5.726 -9.916 4.586 403 H SER 50 H SER 50 -5.283 -13.496 0.360 404 HA SER 50 HA SER 50 -3.377 -15.531 -0.579 405 HB2 SER 50 1HB SER 50 -6.321 -15.134 -1.013 406 HB3 SER 50 2HB SER 50 -5.373 -16.056 -2.180 407 HG SER 50 HG SER 50 -4.952 -17.564 -0.672 408 H LEU 51 H LEU 51 -2.309 -15.277 -2.460 409 HA LEU 51 HA LEU 51 -1.668 -12.936 -3.585 410 HB2 LEU 51 1HB LEU 51 -2.124 -15.495 -5.111 411 HB3 LEU 51 2HB LEU 51 -1.185 -14.120 -5.689 412 HG LEU 51 HG LEU 51 -0.503 -15.861 -3.320 413 HD11 LEU 51 1HD1 LEU 51 1.332 -15.702 -5.591 414 HD12 LEU 51 2HD1 LEU 51 -0.211 -16.471 -5.961 415 HD13 LEU 51 3HD1 LEU 51 0.796 -17.098 -4.656 416 HD21 LEU 51 1HD2 LEU 51 0.713 -14.120 -2.650 417 HD22 LEU 51 2HD2 LEU 51 0.393 -13.229 -4.138 418 HD23 LEU 51 3HD2 LEU 51 1.720 -14.390 -4.073 419 H LEU 52 H LEU 52 -4.581 -14.775 -4.309 420 HA LEU 52 HA LEU 52 -5.462 -13.215 -6.489 421 HB2 LEU 52 1HB LEU 52 -6.411 -15.366 -6.165 422 HB3 LEU 52 2HB LEU 52 -6.916 -14.966 -4.525 423 HG LEU 52 HG LEU 52 -8.535 -13.332 -5.505 424 HD11 LEU 52 1HD1 LEU 52 -7.543 -12.911 -7.637 425 HD12 LEU 52 2HD1 LEU 52 -9.109 -13.675 -7.906 426 HD13 LEU 52 3HD1 LEU 52 -7.628 -14.618 -8.074 427 HD21 LEU 52 1HD2 LEU 52 -9.075 -15.703 -4.824 428 HD22 LEU 52 2HD2 LEU 52 -8.963 -16.128 -6.532 429 HD23 LEU 52 3HD2 LEU 52 -10.175 -14.967 -5.990 430 H GLN 53 H GLN 53 -6.176 -13.054 -3.017 431 HA GLN 53 HA GLN 53 -7.973 -10.870 -3.212 432 HB2 GLN 53 1HB GLN 53 -6.455 -12.146 -0.962 433 HB3 GLN 53 2HB GLN 53 -7.330 -10.643 -0.697 434 HG2 GLN 53 1HG GLN 53 -9.387 -11.758 -1.517 435 HG3 GLN 53 2HG GLN 53 -8.481 -13.267 -1.612 436 HE21 GLN 53 1HE2 GLN 53 -7.141 -13.566 0.559 437 HE22 GLN 53 2HE2 GLN 53 -8.110 -13.463 1.985 438 H ILE 54 H ILE 54 -4.500 -11.125 -2.828 439 HA ILE 54 HA ILE 54 -3.930 -8.510 -2.017 440 HB ILE 54 HB ILE 54 -2.253 -10.316 -3.763 441 HG12 ILE 54 1HG1 ILE 54 -2.919 -11.278 -1.558 442 HG13 ILE 54 2HG1 ILE 54 -1.183 -11.035 -1.719 443 HG21 ILE 54 1HG2 ILE 54 -0.661 -8.645 -2.149 444 HG22 ILE 54 2HG2 ILE 54 -0.819 -8.630 -3.905 445 HG23 ILE 54 3HG2 ILE 54 -1.868 -7.614 -2.917 446 HD11 ILE 54 1HD1 ILE 54 -1.396 -10.134 0.321 447 HD12 ILE 54 2HD1 ILE 54 -1.898 -8.702 -0.579 448 HD13 ILE 54 3HD1 ILE 54 -3.111 -9.783 0.105 449 H SER 55 H SER 55 -3.416 -9.772 -5.312 450 HA SER 55 HA SER 55 -3.163 -7.295 -6.551 451 HB2 SER 55 1HB SER 55 -2.699 -9.685 -7.461 452 HB3 SER 55 2HB SER 55 -4.383 -9.641 -7.982 453 HG SER 55 HG SER 55 -2.390 -7.737 -8.668 454 H ASN 56 H ASN 56 -6.046 -9.294 -6.064 455 HA ASN 56 HA ASN 56 -7.874 -7.819 -7.541 456 HB2 ASN 56 1HB ASN 56 -8.122 -9.558 -5.109 457 HB3 ASN 56 2HB ASN 56 -9.528 -8.684 -5.710 458 HD21 ASN 56 1HD2 ASN 56 -9.801 -11.282 -5.685 459 HD22 ASN 56 2HD2 ASN 56 -9.651 -11.973 -7.261 460 H TRP 57 H TRP 57 -6.782 -7.359 -4.209 461 HA TRP 57 HA TRP 57 -8.561 -5.251 -3.583 462 HB2 TRP 57 1HB TRP 57 -7.589 -6.298 -1.725 463 HB3 TRP 57 2HB TRP 57 -5.968 -6.215 -2.408 464 HD1 TRP 57 HD TRP 57 -8.480 -4.182 -0.402 465 HE1 TRP 57 1HE TRP 57 -7.313 -2.078 0.512 466 HE3 TRP 57 3HE TRP 57 -4.057 -4.539 -2.941 467 HZ2 TRP 57 2HZ TRP 57 -4.845 -0.745 0.197 468 HZ3 TRP 57 3HZ TRP 57 -2.346 -2.808 -2.579 469 HH2 TRP 57 HH TRP 57 -2.734 -0.951 -1.042 470 H PHE 58 H PHE 58 -5.246 -5.303 -4.829 471 HA PHE 58 HA PHE 58 -4.665 -2.599 -4.736 472 HB2 PHE 58 1HB PHE 58 -3.770 -4.874 -6.431 473 HB3 PHE 58 2HB PHE 58 -3.380 -3.252 -6.991 474 HD1 PHE 58 2HD PHE 58 -1.974 -1.771 -5.600 475 HD2 PHE 58 1HD PHE 58 -2.654 -5.847 -4.581 476 HE1 PHE 58 2HE PHE 58 -0.044 -1.708 -4.075 477 HE2 PHE 58 1HE PHE 58 -0.726 -5.790 -3.053 478 HZ PHE 58 HZ PHE 58 0.582 -3.719 -2.800 479 H ILE 59 H ILE 59 -6.572 -4.395 -7.082 480 HA ILE 59 HA ILE 59 -6.807 -2.448 -9.068 481 HB ILE 59 HB ILE 59 -8.835 -4.521 -8.223 482 HG12 ILE 59 1HG1 ILE 59 -6.812 -4.583 -10.471 483 HG13 ILE 59 2HG1 ILE 59 -6.588 -5.375 -8.915 484 HG21 ILE 59 1HG2 ILE 59 -9.027 -2.383 -10.111 485 HG22 ILE 59 2HG2 ILE 59 -9.055 -3.925 -10.965 486 HG23 ILE 59 3HG2 ILE 59 -10.227 -3.603 -9.687 487 HD11 ILE 59 1HD1 ILE 59 -9.094 -6.070 -10.231 488 HD12 ILE 59 2HD1 ILE 59 -7.653 -6.527 -11.139 489 HD13 ILE 59 3HD1 ILE 59 -7.873 -7.101 -9.486 490 H ASN 60 H ASN 60 -9.248 -3.220 -6.577 491 HA ASN 60 HA ASN 60 -10.759 -0.875 -7.032 492 HB2 ASN 60 1HB ASN 60 -12.172 -1.646 -5.387 493 HB3 ASN 60 2HB ASN 60 -11.346 -3.146 -5.802 494 HD21 ASN 60 1HD2 ASN 60 -10.520 -4.261 -4.192 495 HD22 ASN 60 2HD2 ASN 60 -10.143 -3.650 -2.620 496 H ALA 61 H ALA 61 -8.030 -1.594 -4.992 497 HA ALA 61 HA ALA 61 -8.291 0.770 -3.372 498 HB1 ALA 61 1HB ALA 61 -5.787 -0.858 -3.642 499 HB2 ALA 61 2HB ALA 61 -6.368 0.060 -2.253 500 HB3 ALA 61 3HB ALA 61 -7.172 -1.440 -2.717 501 H ARG 62 H ARG 62 -6.828 -0.055 -6.392 502 HA ARG 62 HA ARG 62 -4.969 2.133 -6.440 503 HB2 ARG 62 1HB ARG 62 -4.496 0.120 -7.717 504 HB3 ARG 62 2HB ARG 62 -5.980 0.323 -8.639 505 HG2 ARG 62 1HG ARG 62 -5.076 2.451 -9.532 506 HG3 ARG 62 2HG ARG 62 -3.560 2.110 -8.696 507 HD2 ARG 62 1HD ARG 62 -3.272 0.078 -9.983 508 HD3 ARG 62 2HD ARG 62 -4.837 0.319 -10.759 509 HE ARG 62 HE ARG 62 -2.370 1.502 -11.512 510 HH11 ARG 62 2HH1 ARG 62 -5.787 2.132 -11.304 511 HH12 ARG 62 1HH1 ARG 62 -5.782 3.300 -12.584 512 HH21 ARG 62 2HH2 ARG 62 -2.350 3.037 -13.198 513 HH22 ARG 62 1HH2 ARG 62 -3.827 3.814 -13.661 514 H ARG 63 H ARG 63 -8.298 1.853 -6.888 515 HA ARG 63 HA ARG 63 -8.406 4.269 -8.561 516 HB2 ARG 63 1HB ARG 63 -10.440 3.581 -9.382 517 HB3 ARG 63 2HB ARG 63 -9.684 2.023 -9.076 518 HG2 ARG 63 1HG ARG 63 -10.841 2.061 -6.823 519 HG3 ARG 63 2HG ARG 63 -11.775 3.424 -7.443 520 HD2 ARG 63 1HD ARG 63 -11.601 0.944 -9.081 521 HD3 ARG 63 2HD ARG 63 -12.648 0.946 -7.662 522 HE ARG 63 HE ARG 63 -13.044 2.408 -10.128 523 HH11 ARG 63 2HH1 ARG 63 -13.919 2.051 -6.777 524 HH12 ARG 63 1HH1 ARG 63 -15.444 2.854 -6.955 525 HH21 ARG 63 2HH2 ARG 63 -15.048 3.468 -10.375 526 HH22 ARG 63 1HH2 ARG 63 -16.085 3.659 -9.002 527 H ARG 64 H ARG 64 -8.499 3.349 -5.390 528 HA ARG 64 HA ARG 64 -10.124 5.696 -4.663 529 HB2 ARG 64 1HB ARG 64 -11.047 3.293 -4.155 530 HB3 ARG 64 2HB ARG 64 -9.896 3.343 -2.826 531 HG2 ARG 64 1HG ARG 64 -10.965 5.273 -1.891 532 HG3 ARG 64 2HG ARG 64 -12.026 5.416 -3.294 533 HD2 ARG 64 1HD ARG 64 -13.399 4.365 -1.766 534 HD3 ARG 64 2HD ARG 64 -12.742 2.998 -2.664 535 HE ARG 64 HE ARG 64 -11.221 3.684 -0.324 536 HH11 ARG 64 2HH1 ARG 64 -13.926 1.870 -1.552 537 HH12 ARG 64 1HH1 ARG 64 -13.907 0.717 -0.259 538 HH21 ARG 64 2HH2 ARG 64 -11.186 2.172 1.384 539 HH22 ARG 64 1HH2 ARG 64 -12.349 0.890 1.411 540 H ILE 65 H ILE 65 -7.502 3.523 -3.678 541 HA ILE 65 HA ILE 65 -6.554 5.388 -1.679 542 HB ILE 65 HB ILE 65 -5.259 2.849 -2.678 543 HG12 ILE 65 1HG1 ILE 65 -7.111 3.362 -0.344 544 HG13 ILE 65 2HG1 ILE 65 -7.417 2.325 -1.733 545 HG21 ILE 65 1HG2 ILE 65 -4.316 3.114 -0.211 546 HG22 ILE 65 2HG2 ILE 65 -3.529 3.859 -1.601 547 HG23 ILE 65 3HG2 ILE 65 -4.586 4.820 -0.567 548 HD11 ILE 65 1HD1 ILE 65 -5.116 1.265 -0.720 549 HD12 ILE 65 2HD1 ILE 65 -5.971 1.779 0.734 550 HD13 ILE 65 3HD1 ILE 65 -6.746 0.674 -0.400 551 H LEU 66 H LEU 66 -4.920 3.821 -4.439 552 HA LEU 66 HA LEU 66 -2.668 5.211 -4.698 553 HB2 LEU 66 1HB LEU 66 -3.060 3.657 -6.372 554 HB3 LEU 66 2HB LEU 66 -4.624 4.355 -6.790 555 HG LEU 66 HG LEU 66 -3.530 6.212 -7.902 556 HD11 LEU 66 1HD1 LEU 66 -1.039 4.946 -6.817 557 HD12 LEU 66 2HD1 LEU 66 -1.579 6.620 -6.690 558 HD13 LEU 66 3HD1 LEU 66 -1.001 5.995 -8.235 559 HD21 LEU 66 1HD2 LEU 66 -2.235 3.653 -8.815 560 HD22 LEU 66 2HD2 LEU 66 -2.683 5.051 -9.793 561 HD23 LEU 66 3HD2 LEU 66 -3.936 4.031 -9.084 562 HA PRO 67 HA PRO 67 -4.808 9.005 -6.814 563 HB2 PRO 67 1HB PRO 67 -7.507 9.171 -6.583 564 HB3 PRO 67 2HB PRO 67 -6.707 8.355 -7.931 565 HG2 PRO 67 1HG PRO 67 -7.918 7.183 -5.457 566 HG3 PRO 67 2HG PRO 67 -8.031 6.617 -7.134 567 HD2 PRO 67 1HD PRO 67 -6.343 5.506 -5.333 568 HD3 PRO 67 2HD PRO 67 -5.963 5.603 -7.064 569 H ASP 68 H ASP 68 -6.203 7.701 -3.859 570 HA ASP 68 HA ASP 68 -6.811 10.229 -2.687 571 HB2 ASP 68 1HB ASP 68 -8.008 8.298 -1.910 572 HB3 ASP 68 2HB ASP 68 -6.509 7.466 -1.504 573 H MET 69 H MET 69 -3.997 8.176 -2.795 574 HA MET 69 HA MET 69 -2.627 9.703 -0.734 575 HB2 MET 69 1HB MET 69 -0.739 8.137 -1.210 576 HB3 MET 69 2HB MET 69 -2.224 7.338 -0.713 577 HG2 MET 69 1HG MET 69 -2.711 6.732 -2.995 578 HG3 MET 69 2HG MET 69 -1.304 7.629 -3.562 579 HE1 MET 69 1HE MET 69 -2.267 5.183 -0.802 580 HE2 MET 69 2HE MET 69 -0.977 3.981 -0.791 581 HE3 MET 69 3HE MET 69 -0.679 5.600 -0.158 582 H LEU 70 H LEU 70 -2.653 9.331 -4.219 583 HA LEU 70 HA LEU 70 -0.286 10.545 -4.939 584 HB2 LEU 70 1HB LEU 70 -2.969 10.312 -6.180 585 HB3 LEU 70 2HB LEU 70 -1.853 11.482 -6.879 586 HG LEU 70 HG LEU 70 -1.179 8.569 -6.513 587 HD11 LEU 70 1HD1 LEU 70 -2.433 9.997 -8.842 588 HD12 LEU 70 2HD1 LEU 70 -3.017 8.564 -7.995 589 HD13 LEU 70 3HD1 LEU 70 -1.574 8.465 -9.003 590 HD21 LEU 70 1HD2 LEU 70 0.555 9.078 -8.174 591 HD22 LEU 70 2HD2 LEU 70 0.738 10.044 -6.710 592 HD23 LEU 70 3HD2 LEU 70 0.055 10.770 -8.165 593 H GLN 71 H GLN 71 -3.203 11.994 -3.690 594 HA GLN 71 HA GLN 71 -2.897 14.638 -4.425 595 HB2 GLN 71 1HB GLN 71 -4.297 15.207 -2.587 596 HB3 GLN 71 2HB GLN 71 -4.816 13.622 -3.144 597 HG2 GLN 71 1HG GLN 71 -3.606 12.563 -1.325 598 HG3 GLN 71 2HG GLN 71 -3.026 14.136 -0.780 599 HE21 GLN 71 1HE2 GLN 71 -4.298 12.629 1.010 600 HE22 GLN 71 2HE2 GLN 71 -5.881 13.240 1.333 601 H GLN 72 H GLN 72 -2.333 16.451 -2.816 602 HA GLN 72 HA GLN 72 0.447 16.177 -2.180 603 HB2 GLN 72 1HB GLN 72 -1.536 18.423 -1.880 604 HB3 GLN 72 2HB GLN 72 0.119 18.556 -1.300 605 HG2 GLN 72 1HG GLN 72 0.981 18.266 -3.519 606 HG3 GLN 72 2HG GLN 72 -0.633 17.933 -4.145 607 HE21 GLN 72 1HE2 GLN 72 0.351 19.753 -5.549 608 HE22 GLN 72 2HE2 GLN 72 -0.099 21.357 -5.091 609 H ARG 73 H ARG 73 -0.768 14.310 -0.675 610 HA ARG 73 HA ARG 73 -1.492 15.224 1.928 611 HB2 ARG 73 1HB ARG 73 -2.150 13.018 0.829 612 HB3 ARG 73 2HB ARG 73 -0.533 12.453 1.229 613 HG2 ARG 73 1HG ARG 73 -2.318 13.584 3.345 614 HG3 ARG 73 2HG ARG 73 -2.480 11.906 2.821 615 HD2 ARG 73 1HD ARG 73 0.006 11.679 3.263 616 HD3 ARG 73 2HD ARG 73 -0.094 13.243 4.071 617 HE ARG 73 HE ARG 73 -1.036 12.196 5.864 618 HH11 ARG 73 2HH1 ARG 73 -1.375 10.145 3.071 619 HH12 ARG 73 1HH1 ARG 73 -2.034 8.816 3.966 620 HH21 ARG 73 2HH2 ARG 73 -1.902 10.452 7.053 621 HH22 ARG 73 1HH2 ARG 73 -2.334 8.992 6.230 622 H ARG 74 H ARG 74 1.398 13.551 0.677 623 HA ARG 74 HA ARG 74 2.903 14.674 2.949 624 HB2 ARG 74 1HB ARG 74 2.476 12.079 2.753 625 HB3 ARG 74 2HB ARG 74 3.793 12.165 1.591 626 HG2 ARG 74 1HG ARG 74 4.605 11.573 3.803 627 HG3 ARG 74 2HG ARG 74 5.244 13.136 3.290 628 HD2 ARG 74 1HD ARG 74 3.795 14.315 4.725 629 HD3 ARG 74 2HD ARG 74 2.782 12.897 4.994 630 HE ARG 74 HE ARG 74 5.486 12.553 5.891 631 HH11 ARG 74 2HH1 ARG 74 2.334 13.770 6.730 632 HH12 ARG 74 1HH1 ARG 74 2.591 13.629 8.438 633 HH21 ARG 74 2HH2 ARG 74 5.836 12.361 8.137 634 HH22 ARG 74 1HH2 ARG 74 4.583 12.828 9.237 635 H ASN 75 H ASN 75 5.086 15.268 2.554 636 HA ASN 75 HA ASN 75 5.596 16.758 0.330 637 HB2 ASN 75 1HB ASN 75 6.974 16.828 2.366 638 HB3 ASN 75 2HB ASN 75 7.652 15.253 1.963 639 HD21 ASN 75 1HD2 ASN 75 7.345 18.572 0.824 640 HD22 ASN 75 2HD2 ASN 75 8.830 18.596 -0.061 641 H ASP 76 H ASP 76 6.163 16.415 -1.728 642 HA ASP 76 HA ASP 76 6.769 13.649 -2.534 643 HB2 ASP 76 1HB ASP 76 5.671 14.013 -4.562 644 HB3 ASP 76 2HB ASP 76 4.669 14.891 -3.409 645 HA PRO 77 HA PRO 77 10.781 14.855 -3.859 646 HB2 PRO 77 1HB PRO 77 11.193 13.039 -5.834 647 HB3 PRO 77 2HB PRO 77 11.217 12.614 -4.118 648 HG2 PRO 77 1HG PRO 77 9.016 12.284 -6.121 649 HG3 PRO 77 2HG PRO 77 9.574 11.152 -4.875 650 HD2 PRO 77 1HD PRO 77 7.370 12.694 -4.561 651 HD3 PRO 77 2HD PRO 77 8.409 12.226 -3.200 652 H SER 78 H SER 78 11.025 16.738 -4.899 653 HA SER 78 HA SER 78 9.618 17.343 -7.332 654 HB2 SER 78 1HB SER 78 10.554 19.522 -7.153 655 HB3 SER 78 2HB SER 78 10.220 19.011 -5.499 656 HG SER 78 HG SER 78 12.264 19.186 -5.091 657 H GLY 79 H GLY 79 10.541 17.776 -9.370 658 HA2 GLY 79 1HA GLY 79 13.097 17.767 -10.231 659 HA3 GLY 79 2HA GLY 79 12.781 16.054 -9.998 660 HA PRO 80 HA PRO 80 11.579 17.085 -14.331 661 HB2 PRO 80 1HB PRO 80 12.636 14.823 -15.396 662 HB3 PRO 80 2HB PRO 80 13.585 16.288 -15.117 663 HG2 PRO 80 1HG PRO 80 13.400 13.806 -13.454 664 HG3 PRO 80 2HG PRO 80 14.832 14.757 -13.888 665 HD2 PRO 80 1HD PRO 80 13.620 14.968 -11.477 666 HD3 PRO 80 2HD PRO 80 14.430 16.339 -12.261 667 H SER 81 H SER 81 9.704 16.458 -15.239 668 HA SER 81 HA SER 81 8.473 13.966 -14.256 669 HB2 SER 81 1HB SER 81 7.292 15.966 -13.456 670 HB3 SER 81 2HB SER 81 7.102 16.526 -15.117 671 HG SER 81 HG SER 81 5.949 14.488 -15.466 672 H SER 82 H SER 82 7.027 12.872 -15.742 673 HA SER 82 HA SER 82 6.998 13.551 -18.517 674 HB2 SER 82 1HB SER 82 8.883 11.424 -17.533 675 HB3 SER 82 2HB SER 82 8.183 11.330 -19.149 676 HG SER 82 HG SER 82 10.288 12.471 -18.862 677 H GLY 83 H GLY 83 6.058 11.650 -19.828 678 HA2 GLY 83 1HA GLY 83 4.569 9.679 -18.360 679 HA3 GLY 83 2HA GLY 83 3.561 10.997 -18.939 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.918 -30.402 1.215 2 HA2 GLY 1 1HA GLY 1 3.265 -27.855 2.541 3 HA3 GLY 1 2HA GLY 1 3.121 -27.740 0.793 4 H SER 2 H SER 2 1.232 -26.398 1.699 5 HA SER 2 HA SER 2 -1.156 -28.001 1.375 6 HB2 SER 2 1HB SER 2 -0.452 -27.811 3.913 7 HB3 SER 2 2HB SER 2 -1.168 -26.206 3.769 8 HG SER 2 HG SER 2 -2.403 -28.541 4.074 9 H SER 3 H SER 3 -2.848 -26.861 0.524 10 HA SER 3 HA SER 3 -2.553 -23.947 0.294 11 HB2 SER 3 1HB SER 3 -2.809 -25.951 -1.913 12 HB3 SER 3 2HB SER 3 -3.565 -24.370 -2.109 13 HG SER 3 HG SER 3 -1.202 -24.789 -2.745 14 H GLY 4 H GLY 4 -4.668 -23.045 -0.785 15 HA2 GLY 4 1HA GLY 4 -7.122 -24.190 -0.757 16 HA3 GLY 4 2HA GLY 4 -6.824 -23.878 0.947 17 H SER 5 H SER 5 -8.319 -22.678 -1.680 18 HA SER 5 HA SER 5 -8.319 -19.973 -0.564 19 HB2 SER 5 1HB SER 5 -6.706 -19.903 -2.411 20 HB3 SER 5 2HB SER 5 -7.913 -20.579 -3.504 21 HG SER 5 HG SER 5 -9.171 -18.602 -2.661 22 H SER 6 H SER 6 -10.347 -19.442 -0.145 23 HA SER 6 HA SER 6 -12.447 -20.170 -2.053 24 HB2 SER 6 1HB SER 6 -12.222 -21.759 0.035 25 HB3 SER 6 2HB SER 6 -13.040 -20.439 0.871 26 HG SER 6 HG SER 6 -14.829 -20.999 -0.067 27 H GLY 7 H GLY 7 -14.217 -18.768 -2.100 28 HA2 GLY 7 1HA GLY 7 -14.908 -16.796 -0.312 29 HA3 GLY 7 2HA GLY 7 -13.641 -16.084 -1.300 30 H LYS 8 H LYS 8 -15.898 -14.780 -1.442 31 HA LYS 8 HA LYS 8 -17.327 -15.765 -3.817 32 HB2 LYS 8 1HB LYS 8 -19.124 -14.227 -3.191 33 HB3 LYS 8 2HB LYS 8 -18.749 -15.327 -1.871 34 HG2 LYS 8 1HG LYS 8 -17.432 -13.563 -0.789 35 HG3 LYS 8 2HG LYS 8 -17.854 -12.460 -2.101 36 HD2 LYS 8 1HD LYS 8 -19.373 -11.958 -0.382 37 HD3 LYS 8 2HD LYS 8 -20.287 -12.961 -1.511 38 HE2 LYS 8 1HE LYS 8 -19.626 -14.933 -0.045 39 HE3 LYS 8 2HE LYS 8 -19.101 -13.739 1.141 40 HZ1 LYS 8 1HZ LYS 8 -21.352 -14.466 1.583 41 HZ2 LYS 8 2HZ LYS 8 -21.845 -13.997 0.035 42 HZ3 LYS 8 3HZ LYS 8 -21.346 -12.830 1.153 43 H LYS 9 H LYS 9 -18.112 -13.987 -5.302 44 HA LYS 9 HA LYS 9 -16.136 -12.772 -6.664 45 HB2 LYS 9 1HB LYS 9 -18.983 -11.923 -6.231 46 HB3 LYS 9 2HB LYS 9 -17.912 -10.965 -7.244 47 HG2 LYS 9 1HG LYS 9 -18.902 -12.316 -8.801 48 HG3 LYS 9 2HG LYS 9 -17.454 -13.251 -8.420 49 HD2 LYS 9 1HD LYS 9 -18.661 -14.753 -7.060 50 HD3 LYS 9 2HD LYS 9 -20.069 -13.690 -7.000 51 HE2 LYS 9 1HE LYS 9 -20.703 -15.337 -8.514 52 HE3 LYS 9 2HE LYS 9 -20.156 -14.022 -9.552 53 HZ1 LYS 9 1HZ LYS 9 -18.161 -15.995 -8.765 54 HZ2 LYS 9 2HZ LYS 9 -18.360 -15.185 -10.236 55 HZ3 LYS 9 3HZ LYS 9 -19.343 -16.509 -9.861 56 H ARG 10 H ARG 10 -17.937 -11.242 -4.003 57 HA ARG 10 HA ARG 10 -15.601 -9.615 -3.395 58 HB2 ARG 10 1HB ARG 10 -18.263 -8.504 -4.241 59 HB3 ARG 10 2HB ARG 10 -17.194 -7.591 -3.185 60 HG2 ARG 10 1HG ARG 10 -15.483 -7.535 -4.854 61 HG3 ARG 10 2HG ARG 10 -16.392 -8.639 -5.888 62 HD2 ARG 10 1HD ARG 10 -16.791 -6.529 -6.810 63 HD3 ARG 10 2HD ARG 10 -18.232 -6.862 -5.851 64 HE ARG 10 HE ARG 10 -16.700 -5.499 -4.118 65 HH11 ARG 10 2HH1 ARG 10 -17.611 -4.880 -7.421 66 HH12 ARG 10 1HH1 ARG 10 -17.555 -3.157 -7.250 67 HH21 ARG 10 2HH2 ARG 10 -16.622 -3.232 -3.881 68 HH22 ARG 10 1HH2 ARG 10 -16.991 -2.221 -5.237 69 H LYS 11 H LYS 11 -15.289 -9.546 -1.269 70 HA LYS 11 HA LYS 11 -17.602 -9.792 0.524 71 HB2 LYS 11 1HB LYS 11 -16.445 -12.007 0.225 72 HB3 LYS 11 2HB LYS 11 -15.009 -11.286 0.938 73 HG2 LYS 11 1HG LYS 11 -16.331 -10.803 2.981 74 HG3 LYS 11 2HG LYS 11 -17.684 -11.679 2.261 75 HD2 LYS 11 1HD LYS 11 -16.579 -13.217 3.682 76 HD3 LYS 11 2HD LYS 11 -16.121 -13.653 2.034 77 HE2 LYS 11 1HE LYS 11 -13.976 -12.708 2.272 78 HE3 LYS 11 2HE LYS 11 -14.434 -11.842 3.738 79 HZ1 LYS 11 1HZ LYS 11 -14.810 -14.176 4.691 80 HZ2 LYS 11 2HZ LYS 11 -13.219 -13.630 4.521 81 HZ3 LYS 11 3HZ LYS 11 -13.864 -14.715 3.395 82 H GLY 12 H GLY 12 -17.571 -7.749 1.320 83 HA2 GLY 12 1HA GLY 12 -16.781 -5.837 2.341 84 HA3 GLY 12 2HA GLY 12 -15.996 -6.993 3.408 85 H ASN 13 H ASN 13 -14.068 -6.034 3.763 86 HA ASN 13 HA ASN 13 -12.231 -5.909 1.513 87 HB2 ASN 13 1HB ASN 13 -12.661 -3.517 3.316 88 HB3 ASN 13 2HB ASN 13 -11.480 -3.641 2.015 89 HD21 ASN 13 1HD2 ASN 13 -12.657 -4.482 -0.104 90 HD22 ASN 13 2HD2 ASN 13 -14.035 -3.537 -0.544 91 H LEU 14 H LEU 14 -9.976 -5.658 2.210 92 HA LEU 14 HA LEU 14 -9.340 -7.366 4.342 93 HB2 LEU 14 1HB LEU 14 -7.494 -5.311 3.152 94 HB3 LEU 14 2HB LEU 14 -7.062 -6.842 3.911 95 HG LEU 14 HG LEU 14 -8.698 -6.813 1.404 96 HD11 LEU 14 1HD1 LEU 14 -6.590 -6.988 0.124 97 HD12 LEU 14 2HD1 LEU 14 -5.700 -6.559 1.584 98 HD13 LEU 14 3HD1 LEU 14 -6.822 -5.404 0.865 99 HD21 LEU 14 1HD2 LEU 14 -6.711 -8.846 1.574 100 HD22 LEU 14 2HD2 LEU 14 -8.467 -9.010 1.597 101 HD23 LEU 14 3HD2 LEU 14 -7.583 -8.780 3.106 102 HA PRO 15 HA PRO 15 -9.446 -4.779 7.894 103 HB2 PRO 15 1HB PRO 15 -7.578 -6.011 9.431 104 HB3 PRO 15 2HB PRO 15 -9.178 -6.699 9.128 105 HG2 PRO 15 1HG PRO 15 -6.564 -7.334 7.815 106 HG3 PRO 15 2HG PRO 15 -7.838 -8.439 8.364 107 HD2 PRO 15 1HD PRO 15 -7.548 -7.725 5.768 108 HD3 PRO 15 2HD PRO 15 -9.131 -8.081 6.490 109 H ALA 16 H ALA 16 -8.554 -2.881 8.433 110 HA ALA 16 HA ALA 16 -6.604 -1.563 7.151 111 HB1 ALA 16 1HB ALA 16 -8.114 -0.863 9.170 112 HB2 ALA 16 2HB ALA 16 -6.664 -1.211 10.111 113 HB3 ALA 16 3HB ALA 16 -6.615 0.002 8.832 114 H GLU 17 H GLU 17 -5.943 -3.238 10.237 115 HA GLU 17 HA GLU 17 -3.278 -2.970 10.469 116 HB2 GLU 17 1HB GLU 17 -3.197 -5.191 11.529 117 HB3 GLU 17 2HB GLU 17 -4.590 -4.259 12.057 118 HG2 GLU 17 1HG GLU 17 -6.051 -5.527 10.646 119 HG3 GLU 17 2HG GLU 17 -4.685 -6.368 9.915 120 H SER 18 H SER 18 -4.901 -5.221 8.278 121 HA SER 18 HA SER 18 -2.421 -6.285 7.271 122 HB2 SER 18 1HB SER 18 -3.764 -7.666 5.863 123 HB3 SER 18 2HB SER 18 -4.609 -7.566 7.407 124 HG SER 18 HG SER 18 -5.184 -6.096 5.048 125 H VAL 19 H VAL 19 -4.945 -4.099 6.077 126 HA VAL 19 HA VAL 19 -4.026 -3.656 3.510 127 HB VAL 19 HB VAL 19 -5.273 -1.617 5.359 128 HG11 VAL 19 1HG1 VAL 19 -4.092 -0.908 3.139 129 HG12 VAL 19 2HG1 VAL 19 -5.539 -1.580 2.386 130 HG13 VAL 19 3HG1 VAL 19 -5.680 -0.258 3.545 131 HG21 VAL 19 1HG2 VAL 19 -6.765 -3.135 3.267 132 HG22 VAL 19 2HG2 VAL 19 -6.438 -3.898 4.822 133 HG23 VAL 19 3HG2 VAL 19 -7.356 -2.393 4.754 134 H LYS 20 H LYS 20 -3.156 -1.871 6.464 135 HA LYS 20 HA LYS 20 -1.522 0.071 5.560 136 HB2 LYS 20 1HB LYS 20 -1.951 -0.401 7.949 137 HB3 LYS 20 2HB LYS 20 -0.852 -1.771 7.863 138 HG2 LYS 20 1HG LYS 20 0.858 0.021 7.040 139 HG3 LYS 20 2HG LYS 20 -0.251 1.146 7.828 140 HD2 LYS 20 1HD LYS 20 0.012 0.046 9.931 141 HD3 LYS 20 2HD LYS 20 0.903 -1.284 9.187 142 HE2 LYS 20 1HE LYS 20 1.865 1.567 9.137 143 HE3 LYS 20 2HE LYS 20 2.285 0.437 10.423 144 HZ1 LYS 20 1HZ LYS 20 2.769 -0.794 7.949 145 HZ2 LYS 20 2HZ LYS 20 3.884 -0.376 9.150 146 HZ3 LYS 20 3HZ LYS 20 3.502 0.731 7.930 147 H ILE 21 H ILE 21 -0.637 -3.345 5.863 148 HA ILE 21 HA ILE 21 2.059 -3.121 5.154 149 HB ILE 21 HB ILE 21 0.104 -5.387 4.809 150 HG12 ILE 21 1HG1 ILE 21 1.906 -6.270 6.572 151 HG13 ILE 21 2HG1 ILE 21 2.105 -4.544 6.849 152 HG21 ILE 21 1HG2 ILE 21 2.673 -6.447 4.698 153 HG22 ILE 21 2HG2 ILE 21 1.514 -6.333 3.374 154 HG23 ILE 21 3HG2 ILE 21 2.710 -5.059 3.611 155 HD11 ILE 21 1HD1 ILE 21 -0.681 -5.381 6.787 156 HD12 ILE 21 2HD1 ILE 21 0.264 -6.158 8.059 157 HD13 ILE 21 3HD1 ILE 21 0.188 -4.398 7.966 158 H LEU 22 H LEU 22 -0.803 -3.686 3.127 159 HA LEU 22 HA LEU 22 0.660 -3.813 0.688 160 HB2 LEU 22 1HB LEU 22 -2.260 -3.280 1.213 161 HB3 LEU 22 2HB LEU 22 -1.563 -3.579 -0.378 162 HG LEU 22 HG LEU 22 -1.698 -5.533 1.917 163 HD11 LEU 22 1HD1 LEU 22 -3.399 -4.966 -0.404 164 HD12 LEU 22 2HD1 LEU 22 -3.776 -5.783 1.113 165 HD13 LEU 22 3HD1 LEU 22 -2.978 -6.665 -0.189 166 HD21 LEU 22 1HD2 LEU 22 -0.587 -5.880 -0.866 167 HD22 LEU 22 2HD2 LEU 22 -0.765 -7.151 0.344 168 HD23 LEU 22 3HD2 LEU 22 0.355 -5.817 0.624 169 H ARG 23 H ARG 23 -1.401 -1.289 2.130 170 HA ARG 23 HA ARG 23 -1.134 0.657 0.193 171 HB2 ARG 23 1HB ARG 23 -1.633 0.699 3.128 172 HB3 ARG 23 2HB ARG 23 -1.235 2.224 2.348 173 HG2 ARG 23 1HG ARG 23 -3.098 1.824 0.752 174 HG3 ARG 23 2HG ARG 23 -3.538 0.401 1.699 175 HD2 ARG 23 1HD ARG 23 -3.429 3.241 2.710 176 HD3 ARG 23 2HD ARG 23 -4.892 2.340 2.315 177 HE ARG 23 HE ARG 23 -3.651 0.782 4.160 178 HH11 ARG 23 2HH1 ARG 23 -4.627 4.122 4.071 179 HH12 ARG 23 1HH1 ARG 23 -4.898 4.224 5.779 180 HH21 ARG 23 2HH2 ARG 23 -4.004 0.903 6.410 181 HH22 ARG 23 1HH2 ARG 23 -4.542 2.393 7.109 182 H ASP 24 H ASP 24 0.798 0.510 3.192 183 HA ASP 24 HA ASP 24 2.606 2.456 2.812 184 HB2 ASP 24 1HB ASP 24 2.485 0.531 4.602 185 HB3 ASP 24 2HB ASP 24 3.705 -0.221 3.578 186 H TRP 25 H TRP 25 2.595 -0.643 1.136 187 HA TRP 25 HA TRP 25 5.066 -0.123 -0.244 188 HB2 TRP 25 1HB TRP 25 4.475 -2.419 0.231 189 HB3 TRP 25 2HB TRP 25 2.947 -2.246 -0.628 190 HD1 TRP 25 HD TRP 25 6.594 -3.024 -1.171 191 HE1 TRP 25 1HE TRP 25 6.992 -3.578 -3.653 192 HE3 TRP 25 3HE TRP 25 2.062 -1.597 -3.058 193 HZ2 TRP 25 2HZ TRP 25 5.572 -3.428 -6.089 194 HZ3 TRP 25 3HZ TRP 25 1.662 -1.834 -5.474 195 HH2 TRP 25 HH TRP 25 3.383 -2.730 -6.957 196 H MET 26 H MET 26 1.626 -0.198 -1.142 197 HA MET 26 HA MET 26 1.898 0.416 -3.841 198 HB2 MET 26 1HB MET 26 -0.230 -0.281 -3.018 199 HB3 MET 26 2HB MET 26 -0.299 1.053 -1.875 200 HG2 MET 26 1HG MET 26 -0.316 2.592 -3.882 201 HG3 MET 26 2HG MET 26 -0.592 1.151 -4.858 202 HE1 MET 26 1HE MET 26 -2.983 1.571 -5.857 203 HE2 MET 26 2HE MET 26 -2.712 -0.026 -5.160 204 HE3 MET 26 3HE MET 26 -4.240 0.809 -4.882 205 H TYR 27 H TYR 27 2.326 2.407 -1.060 206 HA TYR 27 HA TYR 27 1.914 4.929 -2.311 207 HB2 TYR 27 1HB TYR 27 1.841 4.571 0.150 208 HB3 TYR 27 2HB TYR 27 3.579 4.293 0.134 209 HD1 TYR 27 2HD TYR 27 1.007 6.848 -0.714 210 HD2 TYR 27 1HD TYR 27 5.053 6.089 0.360 211 HE1 TYR 27 2HE TYR 27 1.388 9.265 -0.464 212 HE2 TYR 27 1HE TYR 27 5.445 8.503 0.615 213 HH TYR 27 HH TYR 27 3.540 10.815 -0.616 214 H LYS 28 H LYS 28 4.855 3.109 -1.467 215 HA LYS 28 HA LYS 28 6.662 4.941 -2.628 216 HB2 LYS 28 1HB LYS 28 6.900 2.012 -1.946 217 HB3 LYS 28 2HB LYS 28 8.241 2.946 -2.596 218 HG2 LYS 28 1HG LYS 28 8.000 4.502 -0.663 219 HG3 LYS 28 2HG LYS 28 6.807 3.389 0.011 220 HD2 LYS 28 1HD LYS 28 8.562 1.592 -0.128 221 HD3 LYS 28 2HD LYS 28 9.722 2.858 -0.536 222 HE2 LYS 28 1HE LYS 28 9.695 3.750 1.567 223 HE3 LYS 28 2HE LYS 28 8.036 3.242 1.879 224 HZ1 LYS 28 1HZ LYS 28 9.412 0.903 1.626 225 HZ2 LYS 28 2HZ LYS 28 8.933 1.620 3.081 226 HZ3 LYS 28 3HZ LYS 28 10.488 1.896 2.474 227 H HIS 29 H HIS 29 4.915 2.175 -3.903 228 HA HIS 29 HA HIS 29 6.216 2.515 -6.507 229 HB2 HIS 29 1HB HIS 29 4.311 0.346 -5.604 230 HB3 HIS 29 2HB HIS 29 5.233 0.371 -7.104 231 HD1 HIS 29 1HD HIS 29 7.803 -0.073 -6.918 232 HD2 HIS 29 2HD HIS 29 5.698 -0.518 -3.363 233 HE1 HIS 29 1HE HIS 29 9.362 -1.286 -5.361 234 HE2 HIS 29 2HE HIS 29 8.036 -1.619 -3.245 235 H ARG 30 H ARG 30 3.741 3.883 -4.968 236 HA ARG 30 HA ARG 30 1.405 3.706 -6.259 237 HB2 ARG 30 1HB ARG 30 1.040 6.073 -5.896 238 HB3 ARG 30 2HB ARG 30 1.928 5.401 -4.534 239 HG2 ARG 30 1HG ARG 30 4.030 6.243 -5.687 240 HG3 ARG 30 2HG ARG 30 2.949 7.162 -6.737 241 HD2 ARG 30 1HD ARG 30 2.001 8.291 -4.804 242 HD3 ARG 30 2HD ARG 30 3.018 7.335 -3.727 243 HE ARG 30 HE ARG 30 4.810 8.542 -5.349 244 HH11 ARG 30 2HH1 ARG 30 2.148 9.720 -3.439 245 HH12 ARG 30 1HH1 ARG 30 2.872 11.266 -3.146 246 HH21 ARG 30 2HH2 ARG 30 5.774 10.574 -4.970 247 HH22 ARG 30 1HH2 ARG 30 4.935 11.751 -4.017 248 H PHE 31 H PHE 31 4.304 5.229 -7.582 249 HA PHE 31 HA PHE 31 3.462 6.486 -9.809 250 HB2 PHE 31 1HB PHE 31 5.802 4.596 -9.544 251 HB3 PHE 31 2HB PHE 31 5.549 5.625 -10.950 252 HD1 PHE 31 1HD PHE 31 4.659 8.129 -9.780 253 HD2 PHE 31 2HD PHE 31 7.657 5.417 -8.450 254 HE1 PHE 31 1HE PHE 31 5.817 9.975 -8.637 255 HE2 PHE 31 2HE PHE 31 8.820 7.258 -7.304 256 HZ PHE 31 HZ PHE 31 7.899 9.541 -7.397 257 H LYS 32 H LYS 32 4.044 2.975 -9.652 258 HA LYS 32 HA LYS 32 2.564 2.649 -12.158 259 HB2 LYS 32 1HB LYS 32 3.485 0.403 -12.226 260 HB3 LYS 32 2HB LYS 32 4.777 1.569 -11.967 261 HG2 LYS 32 1HG LYS 32 4.602 1.045 -9.510 262 HG3 LYS 32 2HG LYS 32 3.541 -0.292 -9.958 263 HD2 LYS 32 1HD LYS 32 5.540 -1.394 -9.939 264 HD3 LYS 32 2HD LYS 32 5.538 -0.836 -11.614 265 HE2 LYS 32 1HE LYS 32 7.007 0.947 -11.121 266 HE3 LYS 32 2HE LYS 32 6.782 0.751 -9.383 267 HZ1 LYS 32 1HZ LYS 32 8.641 -0.445 -9.465 268 HZ2 LYS 32 2HZ LYS 32 8.598 -0.591 -11.149 269 HZ3 LYS 32 3HZ LYS 32 7.720 -1.668 -10.184 270 H ALA 33 H ALA 33 2.512 1.715 -8.766 271 HA ALA 33 HA ALA 33 0.877 0.851 -7.440 272 HB1 ALA 33 1HB ALA 33 -0.942 1.721 -9.684 273 HB2 ALA 33 2HB ALA 33 -1.448 1.285 -8.051 274 HB3 ALA 33 3HB ALA 33 -0.443 2.710 -8.311 275 H TYR 34 H TYR 34 2.265 -1.038 -8.768 276 HA TYR 34 HA TYR 34 0.348 -3.177 -8.957 277 HB2 TYR 34 1HB TYR 34 1.897 -2.268 -11.378 278 HB3 TYR 34 2HB TYR 34 1.278 -3.909 -11.224 279 HD1 TYR 34 1HD TYR 34 -1.328 -3.901 -10.405 280 HD2 TYR 34 2HD TYR 34 0.611 -0.845 -12.642 281 HE1 TYR 34 1HE TYR 34 -3.507 -3.163 -11.274 282 HE2 TYR 34 2HE TYR 34 -1.563 -0.098 -13.516 283 HH TYR 34 HH TYR 34 -3.768 -0.361 -13.439 284 HA PRO 35 HA PRO 35 4.130 -4.701 -7.029 285 HB2 PRO 35 1HB PRO 35 2.925 -6.827 -5.846 286 HB3 PRO 35 2HB PRO 35 2.858 -5.191 -5.180 287 HG2 PRO 35 1HG PRO 35 0.819 -6.659 -6.809 288 HG3 PRO 35 2HG PRO 35 0.585 -5.644 -5.373 289 HD2 PRO 35 1HD PRO 35 0.122 -4.744 -7.885 290 HD3 PRO 35 2HD PRO 35 0.703 -3.686 -6.583 291 H SER 36 H SER 36 5.274 -6.782 -7.121 292 HA SER 36 HA SER 36 4.739 -8.144 -9.666 293 HB2 SER 36 1HB SER 36 7.270 -7.983 -8.013 294 HB3 SER 36 2HB SER 36 7.110 -8.885 -9.520 295 HG SER 36 HG SER 36 7.406 -7.091 -10.553 296 H GLU 37 H GLU 37 4.877 -10.424 -9.814 297 HA GLU 37 HA GLU 37 3.453 -11.951 -8.151 298 HB2 GLU 37 1HB GLU 37 4.652 -12.614 -10.329 299 HB3 GLU 37 2HB GLU 37 5.996 -13.081 -9.296 300 HG2 GLU 37 1HG GLU 37 4.102 -14.422 -8.039 301 HG3 GLU 37 2HG GLU 37 3.324 -14.327 -9.617 302 H GLU 38 H GLU 38 6.746 -10.931 -7.587 303 HA GLU 38 HA GLU 38 7.148 -12.668 -5.329 304 HB2 GLU 38 1HB GLU 38 8.705 -10.427 -6.576 305 HB3 GLU 38 2HB GLU 38 9.154 -11.042 -4.992 306 HG2 GLU 38 1HG GLU 38 9.163 -13.350 -6.127 307 HG3 GLU 38 2HG GLU 38 9.207 -12.438 -7.635 308 H GLU 39 H GLU 39 6.592 -9.185 -5.777 309 HA GLU 39 HA GLU 39 6.662 -8.370 -3.140 310 HB2 GLU 39 1HB GLU 39 4.867 -7.371 -5.357 311 HB3 GLU 39 2HB GLU 39 5.141 -6.532 -3.837 312 HG2 GLU 39 1HG GLU 39 7.130 -7.077 -6.021 313 HG3 GLU 39 2HG GLU 39 6.518 -5.516 -5.477 314 H LYS 40 H LYS 40 3.782 -9.388 -4.978 315 HA LYS 40 HA LYS 40 1.920 -9.223 -2.934 316 HB2 LYS 40 1HB LYS 40 1.682 -11.516 -4.809 317 HB3 LYS 40 2HB LYS 40 0.483 -10.318 -4.341 318 HG2 LYS 40 1HG LYS 40 1.882 -8.666 -5.711 319 HG3 LYS 40 2HG LYS 40 2.652 -10.099 -6.394 320 HD2 LYS 40 1HD LYS 40 0.381 -10.932 -7.014 321 HD3 LYS 40 2HD LYS 40 -0.277 -9.383 -6.481 322 HE2 LYS 40 1HE LYS 40 0.899 -8.205 -8.170 323 HE3 LYS 40 2HE LYS 40 1.886 -9.612 -8.560 324 HZ1 LYS 40 1HZ LYS 40 -0.582 -8.857 -9.659 325 HZ2 LYS 40 2HZ LYS 40 -0.790 -10.336 -8.866 326 HZ3 LYS 40 3HZ LYS 40 0.390 -10.180 -10.068 327 H GLN 41 H GLN 41 3.587 -12.195 -4.002 328 HA GLN 41 HA GLN 41 2.711 -13.875 -1.993 329 HB2 GLN 41 1HB GLN 41 4.165 -14.346 -4.101 330 HB3 GLN 41 2HB GLN 41 5.523 -14.067 -3.019 331 HG2 GLN 41 1HG GLN 41 4.893 -16.454 -3.294 332 HG3 GLN 41 2HG GLN 41 4.890 -15.885 -1.626 333 HE21 GLN 41 1HE2 GLN 41 3.028 -15.910 -0.475 334 HE22 GLN 41 2HE2 GLN 41 1.532 -16.538 -1.070 335 H MET 42 H MET 42 5.087 -11.354 -1.859 336 HA MET 42 HA MET 42 6.310 -12.238 0.583 337 HB2 MET 42 1HB MET 42 7.776 -10.918 -0.600 338 HB3 MET 42 2HB MET 42 6.513 -9.835 -1.168 339 HG2 MET 42 1HG MET 42 6.355 -8.902 1.122 340 HG3 MET 42 2HG MET 42 7.724 -9.911 1.583 341 HE1 MET 42 1HE MET 42 6.329 -7.416 -0.792 342 HE2 MET 42 2HE MET 42 7.009 -6.173 0.257 343 HE3 MET 42 3HE MET 42 7.680 -6.430 -1.354 344 H LEU 43 H LEU 43 4.067 -9.606 -0.271 345 HA LEU 43 HA LEU 43 3.668 -8.692 2.362 346 HB2 LEU 43 1HB LEU 43 1.700 -8.522 0.090 347 HB3 LEU 43 2HB LEU 43 1.802 -7.465 1.497 348 HG LEU 43 HG LEU 43 4.139 -7.600 -0.344 349 HD11 LEU 43 1HD1 LEU 43 2.601 -7.286 -2.032 350 HD12 LEU 43 2HD1 LEU 43 2.949 -5.627 -1.548 351 HD13 LEU 43 3HD1 LEU 43 1.474 -6.416 -0.991 352 HD21 LEU 43 1HD2 LEU 43 3.727 -6.240 1.904 353 HD22 LEU 43 2HD2 LEU 43 3.000 -5.100 0.771 354 HD23 LEU 43 3HD2 LEU 43 4.682 -5.592 0.570 355 H SER 44 H SER 44 1.838 -10.979 0.362 356 HA SER 44 HA SER 44 -0.335 -11.475 1.945 357 HB2 SER 44 1HB SER 44 -0.655 -13.399 0.713 358 HB3 SER 44 2HB SER 44 0.505 -12.566 -0.321 359 HG SER 44 HG SER 44 0.884 -14.767 1.376 360 H GLU 45 H GLU 45 2.968 -12.322 2.554 361 HA GLU 45 HA GLU 45 2.475 -14.323 4.520 362 HB2 GLU 45 1HB GLU 45 4.892 -12.626 3.904 363 HB3 GLU 45 2HB GLU 45 4.880 -13.852 5.163 364 HG2 GLU 45 1HG GLU 45 4.079 -14.584 2.387 365 HG3 GLU 45 2HG GLU 45 5.785 -14.412 2.793 366 H LYS 46 H LYS 46 3.123 -10.847 4.652 367 HA LYS 46 HA LYS 46 3.054 -10.747 7.520 368 HB2 LYS 46 1HB LYS 46 2.882 -8.512 5.489 369 HB3 LYS 46 2HB LYS 46 3.146 -8.307 7.216 370 HG2 LYS 46 1HG LYS 46 5.316 -8.967 7.106 371 HG3 LYS 46 2HG LYS 46 5.034 -10.055 5.746 372 HD2 LYS 46 1HD LYS 46 4.778 -8.080 4.274 373 HD3 LYS 46 2HD LYS 46 5.178 -7.042 5.645 374 HE2 LYS 46 1HE LYS 46 7.139 -7.395 4.267 375 HE3 LYS 46 2HE LYS 46 7.356 -8.169 5.836 376 HZ1 LYS 46 1HZ LYS 46 7.549 -10.154 4.885 377 HZ2 LYS 46 2HZ LYS 46 7.703 -9.349 3.406 378 HZ3 LYS 46 3HZ LYS 46 6.192 -9.925 3.901 379 H THR 47 H THR 47 0.810 -9.969 4.901 380 HA THR 47 HA THR 47 -1.244 -9.086 6.730 381 HB THR 47 HB THR 47 -2.660 -8.880 4.718 382 HG1 THR 47 1HG THR 47 -0.566 -10.352 3.623 383 HG21 THR 47 1HG2 THR 47 0.109 -7.698 4.500 384 HG22 THR 47 2HG2 THR 47 -1.293 -6.986 5.299 385 HG23 THR 47 3HG2 THR 47 -1.275 -7.170 3.545 386 H ASN 48 H ASN 48 -0.209 -12.052 5.394 387 HA ASN 48 HA ASN 48 -0.977 -14.185 5.586 388 HB2 ASN 48 1HB ASN 48 -3.169 -13.255 7.416 389 HB3 ASN 48 2HB ASN 48 -2.259 -14.762 7.454 390 HD21 ASN 48 1HD2 ASN 48 -0.342 -14.855 8.528 391 HD22 ASN 48 2HD2 ASN 48 0.277 -13.560 9.490 392 H LEU 49 H LEU 49 -1.930 -12.581 3.472 393 HA LEU 49 HA LEU 49 -4.687 -13.561 3.137 394 HB2 LEU 49 1HB LEU 49 -3.360 -11.395 1.529 395 HB3 LEU 49 2HB LEU 49 -5.074 -11.800 1.593 396 HG LEU 49 HG LEU 49 -3.609 -10.763 4.002 397 HD11 LEU 49 1HD1 LEU 49 -4.755 -9.238 1.691 398 HD12 LEU 49 2HD1 LEU 49 -3.208 -9.023 2.508 399 HD13 LEU 49 3HD1 LEU 49 -4.702 -8.545 3.312 400 HD21 LEU 49 1HD2 LEU 49 -6.503 -10.450 3.266 401 HD22 LEU 49 2HD2 LEU 49 -5.742 -10.295 4.849 402 HD23 LEU 49 3HD2 LEU 49 -5.904 -11.884 4.100 403 H SER 50 H SER 50 -5.080 -13.590 0.531 404 HA SER 50 HA SER 50 -3.081 -15.506 -0.468 405 HB2 SER 50 1HB SER 50 -4.964 -16.291 -1.962 406 HB3 SER 50 2HB SER 50 -5.219 -16.563 -0.239 407 HG SER 50 HG SER 50 -7.084 -15.675 -0.984 408 H LEU 51 H LEU 51 -2.247 -15.313 -2.521 409 HA LEU 51 HA LEU 51 -1.648 -12.904 -3.586 410 HB2 LEU 51 1HB LEU 51 -2.165 -15.437 -5.136 411 HB3 LEU 51 2HB LEU 51 -1.290 -14.036 -5.749 412 HG LEU 51 HG LEU 51 -0.424 -15.807 -3.464 413 HD11 LEU 51 1HD1 LEU 51 1.388 -15.674 -5.672 414 HD12 LEU 51 2HD1 LEU 51 -0.207 -16.163 -6.244 415 HD13 LEU 51 3HD1 LEU 51 0.591 -17.080 -4.966 416 HD21 LEU 51 1HD2 LEU 51 0.636 -13.254 -4.592 417 HD22 LEU 51 2HD2 LEU 51 1.755 -14.455 -3.945 418 HD23 LEU 51 3HD2 LEU 51 0.499 -13.771 -2.911 419 H LEU 52 H LEU 52 -4.567 -14.776 -4.228 420 HA LEU 52 HA LEU 52 -5.601 -13.218 -6.315 421 HB2 LEU 52 1HB LEU 52 -6.590 -15.316 -5.931 422 HB3 LEU 52 2HB LEU 52 -6.883 -14.956 -4.230 423 HG LEU 52 HG LEU 52 -8.604 -13.312 -4.920 424 HD11 LEU 52 1HD1 LEU 52 -9.436 -13.590 -7.307 425 HD12 LEU 52 2HD1 LEU 52 -7.868 -14.318 -7.651 426 HD13 LEU 52 3HD1 LEU 52 -7.958 -12.653 -7.078 427 HD21 LEU 52 1HD2 LEU 52 -9.253 -15.566 -4.295 428 HD22 LEU 52 2HD2 LEU 52 -8.983 -16.123 -5.947 429 HD23 LEU 52 3HD2 LEU 52 -10.277 -14.974 -5.604 430 H GLN 53 H GLN 53 -6.237 -13.046 -2.815 431 HA GLN 53 HA GLN 53 -7.933 -10.793 -2.956 432 HB2 GLN 53 1HB GLN 53 -6.314 -11.979 -0.707 433 HB3 GLN 53 2HB GLN 53 -7.355 -10.580 -0.486 434 HG2 GLN 53 1HG GLN 53 -9.243 -11.990 -1.373 435 HG3 GLN 53 2HG GLN 53 -8.153 -13.371 -1.250 436 HE21 GLN 53 1HE2 GLN 53 -7.153 -13.694 0.915 437 HE22 GLN 53 2HE2 GLN 53 -8.142 -13.407 2.302 438 H ILE 54 H ILE 54 -4.453 -11.146 -2.535 439 HA ILE 54 HA ILE 54 -3.763 -8.576 -1.782 440 HB ILE 54 HB ILE 54 -2.254 -10.434 -3.623 441 HG12 ILE 54 1HG1 ILE 54 -2.663 -11.441 -1.459 442 HG13 ILE 54 2HG1 ILE 54 -0.972 -10.959 -1.552 443 HG21 ILE 54 1HG2 ILE 54 -0.329 -8.982 -2.472 444 HG22 ILE 54 2HG2 ILE 54 -1.075 -8.539 -4.007 445 HG23 ILE 54 3HG2 ILE 54 -1.610 -7.771 -2.513 446 HD11 ILE 54 1HD1 ILE 54 -1.693 -8.839 -0.340 447 HD12 ILE 54 2HD1 ILE 54 -3.194 -9.697 0.006 448 HD13 ILE 54 3HD1 ILE 54 -1.658 -10.339 0.586 449 H SER 55 H SER 55 -3.479 -9.774 -5.130 450 HA SER 55 HA SER 55 -3.235 -7.244 -6.298 451 HB2 SER 55 1HB SER 55 -3.855 -9.982 -7.298 452 HB3 SER 55 2HB SER 55 -4.192 -8.624 -8.372 453 HG SER 55 HG SER 55 -1.969 -7.964 -7.937 454 H ASN 56 H ASN 56 -6.079 -9.253 -5.702 455 HA ASN 56 HA ASN 56 -7.988 -7.840 -7.119 456 HB2 ASN 56 1HB ASN 56 -8.061 -9.531 -4.658 457 HB3 ASN 56 2HB ASN 56 -9.502 -8.613 -5.087 458 HD21 ASN 56 1HD2 ASN 56 -9.883 -11.182 -5.052 459 HD22 ASN 56 2HD2 ASN 56 -9.921 -11.871 -6.636 460 H TRP 57 H TRP 57 -6.612 -7.169 -3.949 461 HA TRP 57 HA TRP 57 -8.403 -5.042 -3.318 462 HB2 TRP 57 1HB TRP 57 -7.364 -6.046 -1.460 463 HB3 TRP 57 2HB TRP 57 -5.766 -5.958 -2.195 464 HD1 TRP 57 HD TRP 57 -8.281 -3.864 -0.235 465 HE1 TRP 57 1HE TRP 57 -7.112 -1.727 0.595 466 HE3 TRP 57 3HE TRP 57 -3.860 -4.324 -2.761 467 HZ2 TRP 57 2HZ TRP 57 -4.643 -0.410 0.228 468 HZ3 TRP 57 3HZ TRP 57 -2.147 -2.582 -2.466 469 HH2 TRP 57 HH TRP 57 -2.532 -0.666 -1.003 470 H PHE 58 H PHE 58 -5.307 -5.269 -4.943 471 HA PHE 58 HA PHE 58 -4.636 -2.535 -4.921 472 HB2 PHE 58 1HB PHE 58 -3.824 -4.907 -6.536 473 HB3 PHE 58 2HB PHE 58 -3.412 -3.309 -7.152 474 HD1 PHE 58 2HD PHE 58 -1.950 -1.817 -5.829 475 HD2 PHE 58 1HD PHE 58 -2.686 -5.851 -4.688 476 HE1 PHE 58 2HE PHE 58 0.012 -1.752 -4.347 477 HE2 PHE 58 1HE PHE 58 -0.725 -5.792 -3.202 478 HZ PHE 58 HZ PHE 58 0.628 -3.741 -3.032 479 H ILE 59 H ILE 59 -6.854 -4.382 -6.845 480 HA ILE 59 HA ILE 59 -7.092 -2.623 -9.042 481 HB ILE 59 HB ILE 59 -9.105 -4.564 -7.903 482 HG12 ILE 59 1HG1 ILE 59 -7.274 -4.845 -10.293 483 HG13 ILE 59 2HG1 ILE 59 -6.927 -5.514 -8.702 484 HG21 ILE 59 1HG2 ILE 59 -10.136 -2.788 -9.283 485 HG22 ILE 59 2HG2 ILE 59 -9.084 -3.257 -10.618 486 HG23 ILE 59 3HG2 ILE 59 -10.283 -4.393 -10.000 487 HD11 ILE 59 1HD1 ILE 59 -9.441 -6.203 -10.173 488 HD12 ILE 59 2HD1 ILE 59 -7.928 -7.063 -10.458 489 HD13 ILE 59 3HD1 ILE 59 -8.656 -7.068 -8.852 490 H ASN 60 H ASN 60 -9.408 -3.120 -6.370 491 HA ASN 60 HA ASN 60 -10.875 -0.771 -6.914 492 HB2 ASN 60 1HB ASN 60 -10.813 -1.914 -4.155 493 HB3 ASN 60 2HB ASN 60 -12.185 -1.342 -5.100 494 HD21 ASN 60 1HD2 ASN 60 -11.541 -3.897 -3.634 495 HD22 ASN 60 2HD2 ASN 60 -11.880 -5.141 -4.784 496 H ALA 61 H ALA 61 -8.095 -1.432 -4.893 497 HA ALA 61 HA ALA 61 -8.150 0.971 -3.393 498 HB1 ALA 61 1HB ALA 61 -6.880 -0.891 -2.585 499 HB2 ALA 61 2HB ALA 61 -5.886 -0.908 -4.042 500 HB3 ALA 61 3HB ALA 61 -5.767 0.438 -2.909 501 H ARG 62 H ARG 62 -6.092 0.017 -6.151 502 HA ARG 62 HA ARG 62 -4.869 2.494 -6.528 503 HB2 ARG 62 1HB ARG 62 -4.089 0.406 -7.575 504 HB3 ARG 62 2HB ARG 62 -5.510 0.398 -8.611 505 HG2 ARG 62 1HG ARG 62 -4.757 2.558 -9.571 506 HG3 ARG 62 2HG ARG 62 -3.280 2.418 -8.614 507 HD2 ARG 62 1HD ARG 62 -2.659 1.560 -10.683 508 HD3 ARG 62 2HD ARG 62 -3.028 0.117 -9.740 509 HE ARG 62 HE ARG 62 -4.800 -0.307 -11.134 510 HH11 ARG 62 2HH1 ARG 62 -3.671 2.946 -11.651 511 HH12 ARG 62 1HH1 ARG 62 -4.655 3.203 -13.054 512 HH21 ARG 62 2HH2 ARG 62 -6.100 0.020 -12.979 513 HH22 ARG 62 1HH2 ARG 62 -6.037 1.539 -13.808 514 H ARG 63 H ARG 63 -8.093 1.687 -6.927 515 HA ARG 63 HA ARG 63 -8.631 3.533 -9.098 516 HB2 ARG 63 1HB ARG 63 -10.258 1.631 -7.464 517 HB3 ARG 63 2HB ARG 63 -11.077 2.943 -8.302 518 HG2 ARG 63 1HG ARG 63 -10.294 2.169 -10.423 519 HG3 ARG 63 2HG ARG 63 -9.252 0.970 -9.654 520 HD2 ARG 63 1HD ARG 63 -11.306 -0.031 -10.553 521 HD3 ARG 63 2HD ARG 63 -11.192 -0.210 -8.803 522 HE ARG 63 HE ARG 63 -13.032 1.150 -8.565 523 HH11 ARG 63 2HH1 ARG 63 -11.889 1.276 -11.851 524 HH12 ARG 63 1HH1 ARG 63 -13.278 2.128 -12.439 525 HH21 ARG 63 2HH2 ARG 63 -14.866 2.272 -9.327 526 HH22 ARG 63 1HH2 ARG 63 -14.971 2.694 -11.003 527 H ARG 64 H ARG 64 -8.912 3.407 -5.601 528 HA ARG 64 HA ARG 64 -9.701 6.245 -5.629 529 HB2 ARG 64 1HB ARG 64 -11.384 4.362 -4.794 530 HB3 ARG 64 2HB ARG 64 -10.449 4.527 -3.313 531 HG2 ARG 64 1HG ARG 64 -11.636 6.910 -4.689 532 HG3 ARG 64 2HG ARG 64 -12.569 5.927 -3.558 533 HD2 ARG 64 1HD ARG 64 -10.411 6.294 -2.057 534 HD3 ARG 64 2HD ARG 64 -10.262 7.733 -3.065 535 HE ARG 64 HE ARG 64 -12.124 7.316 -0.960 536 HH11 ARG 64 2HH1 ARG 64 -11.752 8.824 -4.076 537 HH12 ARG 64 1HH1 ARG 64 -12.944 10.045 -3.773 538 HH21 ARG 64 2HH2 ARG 64 -13.695 8.919 -0.549 539 HH22 ARG 64 1HH2 ARG 64 -14.047 10.098 -1.766 540 H ILE 65 H ILE 65 -8.078 3.673 -3.808 541 HA ILE 65 HA ILE 65 -6.923 5.262 -1.821 542 HB ILE 65 HB ILE 65 -5.883 2.710 -3.057 543 HG12 ILE 65 1HG1 ILE 65 -7.526 3.263 -0.578 544 HG13 ILE 65 2HG1 ILE 65 -8.063 2.426 -2.031 545 HG21 ILE 65 1HG2 ILE 65 -4.357 2.504 -1.288 546 HG22 ILE 65 2HG2 ILE 65 -4.196 4.174 -1.829 547 HG23 ILE 65 3HG2 ILE 65 -5.114 3.804 -0.369 548 HD11 ILE 65 1HD1 ILE 65 -7.399 0.503 -1.178 549 HD12 ILE 65 2HD1 ILE 65 -5.750 1.111 -1.032 550 HD13 ILE 65 3HD1 ILE 65 -6.894 1.339 0.290 551 H LEU 66 H LEU 66 -5.387 4.041 -4.804 552 HA LEU 66 HA LEU 66 -2.972 5.324 -4.631 553 HB2 LEU 66 1HB LEU 66 -3.169 3.845 -6.397 554 HB3 LEU 66 2HB LEU 66 -4.692 4.542 -6.943 555 HG LEU 66 HG LEU 66 -3.484 6.482 -7.827 556 HD11 LEU 66 1HD1 LEU 66 -1.614 6.597 -6.339 557 HD12 LEU 66 2HD1 LEU 66 -1.003 6.356 -7.975 558 HD13 LEU 66 3HD1 LEU 66 -1.049 5.004 -6.844 559 HD21 LEU 66 1HD2 LEU 66 -3.848 4.269 -9.095 560 HD22 LEU 66 2HD2 LEU 66 -2.113 4.035 -8.883 561 HD23 LEU 66 3HD2 LEU 66 -2.713 5.444 -9.760 562 HA PRO 67 HA PRO 67 -4.823 9.213 -6.837 563 HB2 PRO 67 1HB PRO 67 -7.530 9.381 -6.968 564 HB3 PRO 67 2HB PRO 67 -6.553 8.617 -8.227 565 HG2 PRO 67 1HG PRO 67 -8.088 7.351 -5.991 566 HG3 PRO 67 2HG PRO 67 -7.972 6.854 -7.689 567 HD2 PRO 67 1HD PRO 67 -6.542 5.663 -5.722 568 HD3 PRO 67 2HD PRO 67 -5.931 5.829 -7.381 569 H ASP 68 H ASP 68 -5.650 7.823 -3.923 570 HA ASP 68 HA ASP 68 -6.769 10.280 -2.790 571 HB2 ASP 68 1HB ASP 68 -7.933 8.219 -2.217 572 HB3 ASP 68 2HB ASP 68 -6.439 7.519 -1.600 573 H MET 69 H MET 69 -3.988 8.129 -2.524 574 HA MET 69 HA MET 69 -2.785 9.519 -0.344 575 HB2 MET 69 1HB MET 69 -0.752 8.201 -0.973 576 HB3 MET 69 2HB MET 69 -2.188 7.225 -0.696 577 HG2 MET 69 1HG MET 69 -2.542 7.067 -3.110 578 HG3 MET 69 2HG MET 69 -1.094 8.034 -3.380 579 HE1 MET 69 1HE MET 69 -1.111 4.034 -1.209 580 HE2 MET 69 2HE MET 69 -2.389 5.248 -1.270 581 HE3 MET 69 3HE MET 69 -2.199 4.099 -2.596 582 H LEU 70 H LEU 70 -2.519 9.697 -3.849 583 HA LEU 70 HA LEU 70 -0.269 11.402 -3.948 584 HB2 LEU 70 1HB LEU 70 -2.387 10.537 -5.823 585 HB3 LEU 70 2HB LEU 70 -1.534 12.026 -6.224 586 HG LEU 70 HG LEU 70 0.592 10.516 -5.833 587 HD11 LEU 70 1HD1 LEU 70 -1.021 8.370 -7.031 588 HD12 LEU 70 2HD1 LEU 70 -1.268 8.633 -5.305 589 HD13 LEU 70 3HD1 LEU 70 0.347 8.284 -5.922 590 HD21 LEU 70 1HD2 LEU 70 -0.528 9.761 -8.392 591 HD22 LEU 70 2HD2 LEU 70 0.835 10.818 -8.025 592 HD23 LEU 70 3HD2 LEU 70 -0.807 11.465 -8.034 593 H GLN 71 H GLN 71 -3.705 11.990 -3.593 594 HA GLN 71 HA GLN 71 -4.919 13.874 -3.195 595 HB2 GLN 71 1HB GLN 71 -2.259 14.673 -2.016 596 HB3 GLN 71 2HB GLN 71 -3.704 15.665 -1.873 597 HG2 GLN 71 1HG GLN 71 -4.817 14.025 -0.586 598 HG3 GLN 71 2HG GLN 71 -3.591 12.812 -0.947 599 HE21 GLN 71 1HE2 GLN 71 -4.620 15.157 1.220 600 HE22 GLN 71 2HE2 GLN 71 -3.212 15.220 2.219 601 H GLN 72 H GLN 72 -4.002 13.676 -5.795 602 HA GLN 72 HA GLN 72 -2.608 15.831 -6.840 603 HB2 GLN 72 1HB GLN 72 -3.511 13.712 -8.008 604 HB3 GLN 72 2HB GLN 72 -4.984 14.643 -8.247 605 HG2 GLN 72 1HG GLN 72 -4.008 16.073 -9.741 606 HG3 GLN 72 2HG GLN 72 -2.392 15.838 -9.077 607 HE21 GLN 72 1HE2 GLN 72 -1.504 15.445 -11.096 608 HE22 GLN 72 2HE2 GLN 72 -1.783 13.974 -11.958 609 H ARG 73 H ARG 73 -3.707 17.501 -8.359 610 HA ARG 73 HA ARG 73 -4.866 19.488 -6.909 611 HB2 ARG 73 1HB ARG 73 -5.313 18.869 -9.833 612 HB3 ARG 73 2HB ARG 73 -5.732 20.394 -9.065 613 HG2 ARG 73 1HG ARG 73 -3.417 20.835 -8.571 614 HG3 ARG 73 2HG ARG 73 -2.950 19.250 -9.190 615 HD2 ARG 73 1HD ARG 73 -3.908 19.948 -11.405 616 HD3 ARG 73 2HD ARG 73 -4.086 21.570 -10.739 617 HE ARG 73 HE ARG 73 -1.434 20.684 -10.389 618 HH11 ARG 73 2HH1 ARG 73 -3.634 21.740 -12.872 619 HH12 ARG 73 1HH1 ARG 73 -2.383 22.362 -13.897 620 HH21 ARG 73 2HH2 ARG 73 0.221 21.500 -11.730 621 HH22 ARG 73 1HH2 ARG 73 -0.191 22.224 -13.247 622 H ARG 74 H ARG 74 -6.527 19.086 -5.548 623 HA ARG 74 HA ARG 74 -9.138 18.664 -6.722 624 HB2 ARG 74 1HB ARG 74 -7.965 16.391 -6.043 625 HB3 ARG 74 2HB ARG 74 -8.493 16.861 -4.432 626 HG2 ARG 74 1HG ARG 74 -10.733 16.688 -4.972 627 HG3 ARG 74 2HG ARG 74 -10.433 16.858 -6.702 628 HD2 ARG 74 1HD ARG 74 -9.417 14.497 -5.154 629 HD3 ARG 74 2HD ARG 74 -11.055 14.536 -5.805 630 HE ARG 74 HE ARG 74 -9.493 15.166 -7.937 631 HH11 ARG 74 2HH1 ARG 74 -9.536 12.542 -5.649 632 HH12 ARG 74 1HH1 ARG 74 -8.897 11.384 -6.768 633 HH21 ARG 74 2HH2 ARG 74 -8.651 13.651 -9.419 634 HH22 ARG 74 1HH2 ARG 74 -8.393 12.016 -8.911 635 H ASN 75 H ASN 75 -10.804 19.475 -5.477 636 HA ASN 75 HA ASN 75 -10.036 21.343 -3.437 637 HB2 ASN 75 1HB ASN 75 -12.631 20.607 -4.760 638 HB3 ASN 75 2HB ASN 75 -12.621 21.634 -3.329 639 HD21 ASN 75 1HD2 ASN 75 -13.591 22.510 -5.751 640 HD22 ASN 75 2HD2 ASN 75 -12.551 23.744 -6.370 641 H ASP 76 H ASP 76 -9.232 20.052 -1.754 642 HA ASP 76 HA ASP 76 -11.310 18.597 -0.254 643 HB2 ASP 76 1HB ASP 76 -9.658 17.010 0.504 644 HB3 ASP 76 2HB ASP 76 -9.597 17.080 -1.255 645 HA PRO 77 HA PRO 77 -10.456 21.368 3.056 646 HB2 PRO 77 1HB PRO 77 -11.362 19.861 5.125 647 HB3 PRO 77 2HB PRO 77 -12.440 20.651 3.968 648 HG2 PRO 77 1HG PRO 77 -11.519 17.804 4.061 649 HG3 PRO 77 2HG PRO 77 -13.139 18.445 3.734 650 HD2 PRO 77 1HD PRO 77 -11.477 17.614 1.765 651 HD3 PRO 77 2HD PRO 77 -12.639 18.937 1.539 652 H SER 78 H SER 78 -9.184 21.590 5.002 653 HA SER 78 HA SER 78 -6.839 19.855 4.956 654 HB2 SER 78 1HB SER 78 -7.411 22.602 6.005 655 HB3 SER 78 2HB SER 78 -6.053 21.693 6.668 656 HG SER 78 HG SER 78 -5.222 21.518 4.562 657 H GLY 79 H GLY 79 -6.002 18.832 6.796 658 HA2 GLY 79 1HA GLY 79 -7.603 18.851 9.237 659 HA3 GLY 79 2HA GLY 79 -7.497 17.322 8.378 660 HA PRO 80 HA PRO 80 -3.708 16.341 10.339 661 HB2 PRO 80 1HB PRO 80 -2.228 15.250 8.342 662 HB3 PRO 80 2HB PRO 80 -3.622 14.434 9.059 663 HG2 PRO 80 1HG PRO 80 -3.445 15.995 6.511 664 HG3 PRO 80 2HG PRO 80 -4.271 14.458 6.827 665 HD2 PRO 80 1HD PRO 80 -5.585 16.823 6.727 666 HD3 PRO 80 2HD PRO 80 -6.097 15.490 7.781 667 H SER 81 H SER 81 -1.409 16.788 10.475 668 HA SER 81 HA SER 81 -0.175 18.643 8.678 669 HB2 SER 81 1HB SER 81 -1.445 19.619 11.190 670 HB3 SER 81 2HB SER 81 0.133 20.284 10.764 671 HG SER 81 HG SER 81 -2.282 20.835 9.710 672 H SER 82 H SER 82 2.015 19.257 9.410 673 HA SER 82 HA SER 82 3.107 17.333 11.355 674 HB2 SER 82 1HB SER 82 3.558 16.810 8.883 675 HB3 SER 82 2HB SER 82 4.607 18.227 8.896 676 HG SER 82 HG SER 82 4.885 15.791 10.273 677 H GLY 83 H GLY 83 4.445 18.143 12.863 678 HA2 GLY 83 1HA GLY 83 5.238 19.871 14.208 679 HA3 GLY 83 2HA GLY 83 6.323 20.038 12.835 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -5.380 -26.892 -17.592 2 HA2 GLY 1 1HA GLY 1 -5.424 -24.964 -19.803 3 HA3 GLY 1 2HA GLY 1 -6.681 -26.190 -19.747 4 H SER 2 H SER 2 -8.124 -24.318 -19.662 5 HA SER 2 HA SER 2 -8.825 -23.717 -16.931 6 HB2 SER 2 1HB SER 2 -8.167 -21.422 -18.793 7 HB3 SER 2 2HB SER 2 -8.734 -21.299 -17.127 8 HG SER 2 HG SER 2 -6.801 -21.908 -16.402 9 H SER 3 H SER 3 -10.766 -22.049 -17.012 10 HA SER 3 HA SER 3 -12.427 -22.493 -19.374 11 HB2 SER 3 1HB SER 3 -12.870 -24.350 -17.730 12 HB3 SER 3 2HB SER 3 -13.439 -23.126 -16.594 13 HG SER 3 HG SER 3 -15.125 -24.106 -17.860 14 H GLY 4 H GLY 4 -14.574 -21.271 -19.111 15 HA2 GLY 4 1HA GLY 4 -14.169 -18.812 -17.535 16 HA3 GLY 4 2HA GLY 4 -14.571 -18.714 -19.243 17 H SER 5 H SER 5 -15.994 -17.811 -16.767 18 HA SER 5 HA SER 5 -18.613 -18.798 -17.548 19 HB2 SER 5 1HB SER 5 -17.615 -19.019 -14.698 20 HB3 SER 5 2HB SER 5 -19.271 -19.319 -15.223 21 HG SER 5 HG SER 5 -17.915 -21.225 -15.024 22 H SER 6 H SER 6 -20.373 -17.557 -16.464 23 HA SER 6 HA SER 6 -20.319 -14.914 -16.900 24 HB2 SER 6 1HB SER 6 -22.222 -16.459 -15.950 25 HB3 SER 6 2HB SER 6 -21.711 -15.798 -14.396 26 HG SER 6 HG SER 6 -22.778 -14.070 -14.887 27 H GLY 7 H GLY 7 -19.818 -16.199 -13.603 28 HA2 GLY 7 1HA GLY 7 -18.253 -13.766 -13.017 29 HA3 GLY 7 2HA GLY 7 -19.140 -14.695 -11.818 30 H LYS 8 H LYS 8 -16.355 -13.923 -11.757 31 HA LYS 8 HA LYS 8 -15.001 -16.513 -12.049 32 HB2 LYS 8 1HB LYS 8 -14.044 -13.675 -11.965 33 HB3 LYS 8 2HB LYS 8 -12.946 -14.975 -11.520 34 HG2 LYS 8 1HG LYS 8 -12.492 -14.695 -13.758 35 HG3 LYS 8 2HG LYS 8 -13.662 -16.017 -13.783 36 HD2 LYS 8 1HD LYS 8 -15.417 -14.124 -14.041 37 HD3 LYS 8 2HD LYS 8 -14.036 -13.141 -14.532 38 HE2 LYS 8 1HE LYS 8 -13.520 -14.715 -16.308 39 HE3 LYS 8 2HE LYS 8 -14.838 -15.764 -15.789 40 HZ1 LYS 8 1HZ LYS 8 -14.938 -13.578 -17.545 41 HZ2 LYS 8 2HZ LYS 8 -15.891 -13.214 -16.196 42 HZ3 LYS 8 3HZ LYS 8 -16.191 -14.619 -17.089 43 H LYS 9 H LYS 9 -14.606 -13.773 -9.808 44 HA LYS 9 HA LYS 9 -14.915 -15.633 -7.558 45 HB2 LYS 9 1HB LYS 9 -12.571 -13.865 -8.157 46 HB3 LYS 9 2HB LYS 9 -12.994 -14.212 -6.486 47 HG2 LYS 9 1HG LYS 9 -11.476 -15.868 -6.892 48 HG3 LYS 9 2HG LYS 9 -12.975 -16.696 -7.321 49 HD2 LYS 9 1HD LYS 9 -12.589 -16.150 -9.682 50 HD3 LYS 9 2HD LYS 9 -11.083 -15.340 -9.244 51 HE2 LYS 9 1HE LYS 9 -10.264 -17.390 -9.831 52 HE3 LYS 9 2HE LYS 9 -10.566 -17.670 -8.117 53 HZ1 LYS 9 1HZ LYS 9 -11.658 -19.450 -8.912 54 HZ2 LYS 9 2HZ LYS 9 -11.914 -18.772 -10.440 55 HZ3 LYS 9 3HZ LYS 9 -12.920 -18.348 -9.148 56 H ARG 10 H ARG 10 -14.897 -14.282 -5.424 57 HA ARG 10 HA ARG 10 -16.876 -12.169 -5.800 58 HB2 ARG 10 1HB ARG 10 -17.437 -12.467 -3.496 59 HB3 ARG 10 2HB ARG 10 -17.276 -14.067 -4.208 60 HG2 ARG 10 1HG ARG 10 -14.894 -12.882 -2.891 61 HG3 ARG 10 2HG ARG 10 -16.211 -13.466 -1.872 62 HD2 ARG 10 1HD ARG 10 -16.022 -15.567 -3.474 63 HD3 ARG 10 2HD ARG 10 -14.375 -14.968 -3.662 64 HE ARG 10 HE ARG 10 -14.677 -14.998 -0.991 65 HH11 ARG 10 2HH1 ARG 10 -15.306 -17.379 -3.452 66 HH12 ARG 10 1HH1 ARG 10 -14.987 -18.728 -2.413 67 HH21 ARG 10 2HH2 ARG 10 -14.254 -16.766 0.387 68 HH22 ARG 10 1HH2 ARG 10 -14.389 -18.378 -0.229 69 H LYS 11 H LYS 11 -16.735 -10.177 -4.582 70 HA LYS 11 HA LYS 11 -13.985 -9.198 -4.472 71 HB2 LYS 11 1HB LYS 11 -16.664 -7.951 -4.815 72 HB3 LYS 11 2HB LYS 11 -15.415 -6.981 -4.048 73 HG2 LYS 11 1HG LYS 11 -15.113 -6.397 -6.231 74 HG3 LYS 11 2HG LYS 11 -13.990 -7.754 -6.110 75 HD2 LYS 11 1HD LYS 11 -15.993 -9.189 -6.878 76 HD3 LYS 11 2HD LYS 11 -16.702 -7.655 -7.388 77 HE2 LYS 11 1HE LYS 11 -14.664 -7.222 -8.734 78 HE3 LYS 11 2HE LYS 11 -14.074 -8.824 -8.295 79 HZ1 LYS 11 1HZ LYS 11 -15.109 -9.442 -10.163 80 HZ2 LYS 11 2HZ LYS 11 -16.092 -8.067 -10.217 81 HZ3 LYS 11 3HZ LYS 11 -16.524 -9.376 -9.237 82 H GLY 12 H GLY 12 -13.613 -7.458 -2.717 83 HA2 GLY 12 1HA GLY 12 -14.952 -7.424 -0.289 84 HA3 GLY 12 2HA GLY 12 -13.802 -8.750 -0.193 85 H ASN 13 H ASN 13 -13.529 -6.758 1.587 86 HA ASN 13 HA ASN 13 -11.199 -5.258 0.585 87 HB2 ASN 13 1HB ASN 13 -13.503 -4.393 2.258 88 HB3 ASN 13 2HB ASN 13 -11.920 -3.734 2.665 89 HD21 ASN 13 1HD2 ASN 13 -13.825 -4.405 -0.258 90 HD22 ASN 13 2HD2 ASN 13 -13.507 -2.885 -1.016 91 H LEU 14 H LEU 14 -9.514 -4.840 2.142 92 HA LEU 14 HA LEU 14 -9.277 -7.024 4.081 93 HB2 LEU 14 1HB LEU 14 -7.116 -5.154 3.137 94 HB3 LEU 14 2HB LEU 14 -6.917 -6.675 4.005 95 HG LEU 14 HG LEU 14 -8.119 -6.592 1.256 96 HD11 LEU 14 1HD1 LEU 14 -6.182 -6.061 0.326 97 HD12 LEU 14 2HD1 LEU 14 -5.405 -7.411 1.152 98 HD13 LEU 14 3HD1 LEU 14 -5.471 -5.826 1.923 99 HD21 LEU 14 1HD2 LEU 14 -8.423 -8.726 1.903 100 HD22 LEU 14 2HD2 LEU 14 -7.194 -8.632 3.164 101 HD23 LEU 14 3HD2 LEU 14 -6.717 -8.891 1.486 102 HA PRO 15 HA PRO 15 -9.634 -4.390 7.577 103 HB2 PRO 15 1HB PRO 15 -7.999 -5.660 9.333 104 HB3 PRO 15 2HB PRO 15 -9.578 -6.296 8.858 105 HG2 PRO 15 1HG PRO 15 -6.856 -7.044 7.861 106 HG3 PRO 15 2HG PRO 15 -8.223 -8.094 8.275 107 HD2 PRO 15 1HD PRO 15 -7.614 -7.435 5.721 108 HD3 PRO 15 2HD PRO 15 -9.280 -7.724 6.261 109 H ALA 16 H ALA 16 -8.724 -2.542 8.273 110 HA ALA 16 HA ALA 16 -6.667 -1.235 7.203 111 HB1 ALA 16 1HB ALA 16 -6.666 -0.923 10.125 112 HB2 ALA 16 2HB ALA 16 -6.909 0.274 8.852 113 HB3 ALA 16 3HB ALA 16 -8.244 -0.764 9.353 114 H GLU 17 H GLU 17 -6.184 -3.032 10.253 115 HA GLU 17 HA GLU 17 -3.549 -2.889 10.635 116 HB2 GLU 17 1HB GLU 17 -5.282 -4.371 11.831 117 HB3 GLU 17 2HB GLU 17 -4.834 -5.609 10.666 118 HG2 GLU 17 1HG GLU 17 -2.687 -5.813 11.511 119 HG3 GLU 17 2HG GLU 17 -2.740 -4.235 12.296 120 H SER 18 H SER 18 -4.993 -5.280 8.420 121 HA SER 18 HA SER 18 -2.491 -6.172 7.411 122 HB2 SER 18 1HB SER 18 -4.158 -7.756 7.113 123 HB3 SER 18 2HB SER 18 -5.356 -6.557 6.628 124 HG SER 18 HG SER 18 -4.858 -7.122 4.673 125 H VAL 19 H VAL 19 -5.000 -4.030 6.077 126 HA VAL 19 HA VAL 19 -3.968 -3.435 3.625 127 HB VAL 19 HB VAL 19 -5.285 -1.545 5.574 128 HG11 VAL 19 1HG1 VAL 19 -5.798 -0.184 3.536 129 HG12 VAL 19 2HG1 VAL 19 -4.099 -0.184 4.013 130 HG13 VAL 19 3HG1 VAL 19 -4.634 -1.175 2.656 131 HG21 VAL 19 1HG2 VAL 19 -7.207 -1.938 3.914 132 HG22 VAL 19 2HG2 VAL 19 -6.274 -3.337 3.381 133 HG23 VAL 19 3HG2 VAL 19 -6.819 -3.227 5.055 134 H LYS 20 H LYS 20 -3.134 -1.784 6.668 135 HA LYS 20 HA LYS 20 -1.411 0.131 5.877 136 HB2 LYS 20 1HB LYS 20 -1.920 -0.353 8.230 137 HB3 LYS 20 2HB LYS 20 -0.924 -1.800 8.153 138 HG2 LYS 20 1HG LYS 20 1.049 -0.425 7.731 139 HG3 LYS 20 2HG LYS 20 0.049 1.029 7.803 140 HD2 LYS 20 1HD LYS 20 0.119 -0.914 10.087 141 HD3 LYS 20 2HD LYS 20 1.365 0.324 9.909 142 HE2 LYS 20 1HE LYS 20 -0.174 1.378 11.272 143 HE3 LYS 20 2HE LYS 20 -0.650 1.946 9.672 144 HZ1 LYS 20 1HZ LYS 20 -1.979 -0.473 10.272 145 HZ2 LYS 20 2HZ LYS 20 -2.641 1.049 9.945 146 HZ3 LYS 20 3HZ LYS 20 -2.226 0.630 11.531 147 H ILE 21 H ILE 21 -0.681 -3.324 6.049 148 HA ILE 21 HA ILE 21 2.059 -3.152 5.441 149 HB ILE 21 HB ILE 21 0.046 -5.356 5.069 150 HG12 ILE 21 1HG1 ILE 21 1.850 -6.330 6.774 151 HG13 ILE 21 2HG1 ILE 21 2.130 -4.617 7.067 152 HG21 ILE 21 1HG2 ILE 21 3.001 -5.480 4.481 153 HG22 ILE 21 2HG2 ILE 21 1.895 -6.853 4.499 154 HG23 ILE 21 3HG2 ILE 21 1.701 -5.580 3.294 155 HD11 ILE 21 1HD1 ILE 21 -0.627 -4.889 7.133 156 HD12 ILE 21 2HD1 ILE 21 -0.014 -6.316 7.968 157 HD13 ILE 21 3HD1 ILE 21 0.457 -4.706 8.512 158 H LEU 22 H LEU 22 -0.759 -3.681 3.337 159 HA LEU 22 HA LEU 22 0.757 -3.780 0.934 160 HB2 LEU 22 1HB LEU 22 -2.167 -3.283 1.452 161 HB3 LEU 22 2HB LEU 22 -1.473 -3.437 -0.160 162 HG LEU 22 HG LEU 22 -1.575 -5.576 1.965 163 HD11 LEU 22 1HD1 LEU 22 -2.925 -6.691 0.081 164 HD12 LEU 22 2HD1 LEU 22 -3.109 -5.056 -0.554 165 HD13 LEU 22 3HD1 LEU 22 -3.711 -5.449 1.057 166 HD21 LEU 22 1HD2 LEU 22 -0.023 -5.315 -0.531 167 HD22 LEU 22 2HD2 LEU 22 -0.843 -6.857 -0.283 168 HD23 LEU 22 3HD2 LEU 22 0.304 -6.264 0.919 169 H ARG 23 H ARG 23 -1.403 -1.266 2.255 170 HA ARG 23 HA ARG 23 -1.068 0.702 0.393 171 HB2 ARG 23 1HB ARG 23 -1.564 0.718 3.326 172 HB3 ARG 23 2HB ARG 23 -1.133 2.247 2.571 173 HG2 ARG 23 1HG ARG 23 -3.007 1.643 0.879 174 HG3 ARG 23 2HG ARG 23 -3.547 0.544 2.151 175 HD2 ARG 23 1HD ARG 23 -4.736 2.462 2.639 176 HD3 ARG 23 2HD ARG 23 -3.325 2.630 3.683 177 HE ARG 23 HE ARG 23 -2.921 3.876 1.155 178 HH11 ARG 23 2HH1 ARG 23 -4.458 4.279 4.253 179 HH12 ARG 23 1HH1 ARG 23 -4.428 6.010 4.189 180 HH21 ARG 23 2HH2 ARG 23 -2.876 6.155 1.059 181 HH22 ARG 23 1HH2 ARG 23 -3.528 7.076 2.371 182 H ASP 24 H ASP 24 0.940 0.342 3.321 183 HA ASP 24 HA ASP 24 2.752 2.316 3.023 184 HB2 ASP 24 1HB ASP 24 2.695 0.443 4.772 185 HB3 ASP 24 2HB ASP 24 3.679 -0.484 3.643 186 H TRP 25 H TRP 25 2.879 -0.805 1.333 187 HA TRP 25 HA TRP 25 5.231 -0.121 -0.147 188 HB2 TRP 25 1HB TRP 25 4.760 -2.450 0.311 189 HB3 TRP 25 2HB TRP 25 3.204 -2.337 -0.507 190 HD1 TRP 25 HD TRP 25 6.828 -3.050 -1.137 191 HE1 TRP 25 1HE TRP 25 7.204 -3.503 -3.643 192 HE3 TRP 25 3HE TRP 25 2.285 -1.536 -2.926 193 HZ2 TRP 25 2HZ TRP 25 5.765 -3.251 -6.058 194 HZ3 TRP 25 3HZ TRP 25 1.865 -1.674 -5.347 195 HH2 TRP 25 HH TRP 25 3.571 -2.514 -6.879 196 H MET 26 H MET 26 1.761 -0.184 -0.844 197 HA MET 26 HA MET 26 1.903 0.415 -3.576 198 HB2 MET 26 1HB MET 26 -0.162 -0.355 -2.609 199 HB3 MET 26 2HB MET 26 -0.232 1.032 -1.530 200 HG2 MET 26 1HG MET 26 -0.469 2.501 -3.504 201 HG3 MET 26 2HG MET 26 -0.518 1.065 -4.524 202 HE1 MET 26 1HE MET 26 -2.614 -0.133 -5.147 203 HE2 MET 26 2HE MET 26 -4.154 0.684 -4.877 204 HE3 MET 26 3HE MET 26 -2.811 1.556 -5.618 205 H TYR 27 H TYR 27 2.411 2.383 -0.794 206 HA TYR 27 HA TYR 27 1.881 4.908 -1.997 207 HB2 TYR 27 1HB TYR 27 1.926 4.503 0.466 208 HB3 TYR 27 2HB TYR 27 3.671 4.304 0.365 209 HD1 TYR 27 2HD TYR 27 1.030 6.771 -0.592 210 HD2 TYR 27 1HD TYR 27 4.997 6.140 0.810 211 HE1 TYR 27 2HE TYR 27 1.316 9.199 -0.327 212 HE2 TYR 27 1HE TYR 27 5.295 8.567 1.080 213 HH TYR 27 HH TYR 27 4.233 10.681 0.015 214 H LYS 28 H LYS 28 4.905 3.172 -1.273 215 HA LYS 28 HA LYS 28 6.614 5.055 -2.493 216 HB2 LYS 28 1HB LYS 28 6.939 2.137 -1.812 217 HB3 LYS 28 2HB LYS 28 8.228 3.069 -2.563 218 HG2 LYS 28 1HG LYS 28 8.486 4.442 -0.691 219 HG3 LYS 28 2HG LYS 28 6.923 3.970 -0.020 220 HD2 LYS 28 1HD LYS 28 7.752 1.748 0.447 221 HD3 LYS 28 2HD LYS 28 9.288 2.122 -0.339 222 HE2 LYS 28 1HE LYS 28 9.564 2.267 2.049 223 HE3 LYS 28 2HE LYS 28 9.677 3.883 1.354 224 HZ1 LYS 28 1HZ LYS 28 8.160 4.453 2.856 225 HZ2 LYS 28 2HZ LYS 28 7.799 2.847 3.246 226 HZ3 LYS 28 3HZ LYS 28 7.031 3.593 1.936 227 H HIS 29 H HIS 29 5.147 2.059 -3.697 228 HA HIS 29 HA HIS 29 6.238 2.548 -6.356 229 HB2 HIS 29 1HB HIS 29 4.486 0.269 -5.419 230 HB3 HIS 29 2HB HIS 29 5.394 0.350 -6.926 231 HD1 HIS 29 1HD HIS 29 7.963 -0.008 -6.782 232 HD2 HIS 29 2HD HIS 29 5.962 -0.453 -3.168 233 HE1 HIS 29 1HE HIS 29 9.608 -1.114 -5.234 234 HE2 HIS 29 2HE HIS 29 8.347 -1.451 -3.080 235 H ARG 30 H ARG 30 3.737 3.751 -4.716 236 HA ARG 30 HA ARG 30 1.375 3.432 -5.941 237 HB2 ARG 30 1HB ARG 30 0.820 5.692 -5.431 238 HB3 ARG 30 2HB ARG 30 1.948 5.153 -4.193 239 HG2 ARG 30 1HG ARG 30 3.772 6.270 -5.479 240 HG3 ARG 30 2HG ARG 30 2.532 6.938 -6.541 241 HD2 ARG 30 1HD ARG 30 1.497 8.071 -4.660 242 HD3 ARG 30 2HD ARG 30 2.669 7.350 -3.557 243 HE ARG 30 HE ARG 30 4.117 8.726 -5.477 244 HH11 ARG 30 2HH1 ARG 30 1.779 9.448 -3.000 245 HH12 ARG 30 1HH1 ARG 30 2.384 11.046 -2.713 246 HH21 ARG 30 2HH2 ARG 30 4.922 10.828 -5.108 247 HH22 ARG 30 1HH2 ARG 30 4.171 11.831 -3.913 248 H PHE 31 H PHE 31 4.141 5.132 -7.320 249 HA PHE 31 HA PHE 31 3.192 6.408 -9.481 250 HB2 PHE 31 1HB PHE 31 5.655 5.740 -8.765 251 HB3 PHE 31 2HB PHE 31 5.441 4.519 -10.016 252 HD1 PHE 31 2HD PHE 31 4.273 8.049 -9.854 253 HD2 PHE 31 1HD PHE 31 6.738 5.181 -11.806 254 HE1 PHE 31 2HE PHE 31 4.846 9.716 -11.570 255 HE2 PHE 31 1HE PHE 31 7.316 6.843 -13.525 256 HZ PHE 31 HZ PHE 31 6.369 9.114 -13.410 257 H LYS 32 H LYS 32 3.728 2.897 -9.347 258 HA LYS 32 HA LYS 32 2.125 2.619 -11.798 259 HB2 LYS 32 1HB LYS 32 3.162 0.453 -12.094 260 HB3 LYS 32 2HB LYS 32 4.412 1.668 -11.859 261 HG2 LYS 32 1HG LYS 32 4.151 0.893 -9.334 262 HG3 LYS 32 2HG LYS 32 3.605 -0.589 -10.122 263 HD2 LYS 32 1HD LYS 32 5.875 -0.963 -9.954 264 HD3 LYS 32 2HD LYS 32 5.751 -0.271 -11.573 265 HE2 LYS 32 1HE LYS 32 6.132 1.988 -10.327 266 HE3 LYS 32 2HE LYS 32 6.786 0.960 -9.054 267 HZ1 LYS 32 1HZ LYS 32 8.055 -0.030 -11.157 268 HZ2 LYS 32 2HZ LYS 32 8.668 1.247 -10.234 269 HZ3 LYS 32 3HZ LYS 32 7.862 1.565 -11.687 270 H ALA 33 H ALA 33 2.084 2.131 -8.437 271 HA ALA 33 HA ALA 33 0.769 0.865 -7.029 272 HB1 ALA 33 1HB ALA 33 -1.437 1.630 -8.915 273 HB2 ALA 33 2HB ALA 33 -1.481 1.500 -7.156 274 HB3 ALA 33 3HB ALA 33 -0.606 2.827 -7.921 275 H TYR 34 H TYR 34 1.915 -0.659 -9.275 276 HA TYR 34 HA TYR 34 -0.019 -2.869 -9.256 277 HB2 TYR 34 1HB TYR 34 1.464 -1.778 -11.644 278 HB3 TYR 34 2HB TYR 34 0.785 -3.401 -11.617 279 HD1 TYR 34 1HD TYR 34 -1.785 -3.364 -10.674 280 HD2 TYR 34 2HD TYR 34 0.189 -0.207 -12.733 281 HE1 TYR 34 1HE TYR 34 -3.965 -2.468 -11.378 282 HE2 TYR 34 2HE TYR 34 -1.986 0.698 -13.442 283 HH TYR 34 HH TYR 34 -5.013 -0.660 -12.268 284 HA PRO 35 HA PRO 35 3.962 -4.437 -7.669 285 HB2 PRO 35 1HB PRO 35 2.819 -6.350 -6.119 286 HB3 PRO 35 2HB PRO 35 2.990 -4.670 -5.600 287 HG2 PRO 35 1HG PRO 35 0.599 -6.067 -6.735 288 HG3 PRO 35 2HG PRO 35 0.690 -4.930 -5.377 289 HD2 PRO 35 1HD PRO 35 -0.125 -4.184 -7.849 290 HD3 PRO 35 2HD PRO 35 0.749 -3.087 -6.760 291 H SER 36 H SER 36 4.921 -6.603 -7.772 292 HA SER 36 HA SER 36 3.837 -8.114 -10.047 293 HB2 SER 36 1HB SER 36 6.064 -7.318 -10.470 294 HB3 SER 36 2HB SER 36 6.636 -7.924 -8.916 295 HG SER 36 HG SER 36 6.220 -9.258 -11.294 296 H GLU 37 H GLU 37 3.796 -10.400 -10.002 297 HA GLU 37 HA GLU 37 2.619 -11.679 -7.985 298 HB2 GLU 37 1HB GLU 37 3.454 -12.581 -10.281 299 HB3 GLU 37 2HB GLU 37 4.850 -13.133 -9.366 300 HG2 GLU 37 1HG GLU 37 3.122 -14.238 -7.812 301 HG3 GLU 37 2HG GLU 37 1.996 -13.994 -9.145 302 H GLU 38 H GLU 38 6.033 -10.909 -8.110 303 HA GLU 38 HA GLU 38 6.818 -12.490 -5.886 304 HB2 GLU 38 1HB GLU 38 8.044 -10.214 -7.399 305 HB3 GLU 38 2HB GLU 38 8.762 -10.732 -5.880 306 HG2 GLU 38 1HG GLU 38 9.135 -12.938 -6.739 307 HG3 GLU 38 2HG GLU 38 8.254 -12.556 -8.217 308 H GLU 39 H GLU 39 6.223 -8.989 -6.207 309 HA GLU 39 HA GLU 39 6.578 -8.292 -3.544 310 HB2 GLU 39 1HB GLU 39 4.615 -7.063 -5.487 311 HB3 GLU 39 2HB GLU 39 5.249 -6.305 -4.033 312 HG2 GLU 39 1HG GLU 39 7.040 -7.210 -6.259 313 HG3 GLU 39 2HG GLU 39 6.270 -5.625 -6.259 314 H LYS 40 H LYS 40 3.449 -8.846 -5.170 315 HA LYS 40 HA LYS 40 1.760 -8.708 -3.036 316 HB2 LYS 40 1HB LYS 40 1.301 -10.973 -4.910 317 HB3 LYS 40 2HB LYS 40 0.184 -9.735 -4.349 318 HG2 LYS 40 1HG LYS 40 1.634 -8.134 -5.783 319 HG3 LYS 40 2HG LYS 40 2.176 -9.618 -6.570 320 HD2 LYS 40 1HD LYS 40 -0.270 -10.182 -6.896 321 HD3 LYS 40 2HD LYS 40 -0.625 -8.529 -6.389 322 HE2 LYS 40 1HE LYS 40 0.592 -7.626 -8.232 323 HE3 LYS 40 2HE LYS 40 1.233 -9.212 -8.659 324 HZ1 LYS 40 1HZ LYS 40 -1.128 -8.009 -9.547 325 HZ2 LYS 40 2HZ LYS 40 -1.564 -9.362 -8.631 326 HZ3 LYS 40 3HZ LYS 40 -0.519 -9.535 -9.949 327 H GLN 41 H GLN 41 3.257 -11.738 -4.187 328 HA GLN 41 HA GLN 41 2.390 -13.445 -2.227 329 HB2 GLN 41 1HB GLN 41 4.017 -13.744 -4.319 330 HB3 GLN 41 2HB GLN 41 5.237 -13.701 -3.054 331 HG2 GLN 41 1HG GLN 41 3.194 -15.748 -3.654 332 HG3 GLN 41 2HG GLN 41 4.859 -15.929 -3.105 333 HE21 GLN 41 1HE2 GLN 41 5.197 -15.009 -0.820 334 HE22 GLN 41 2HE2 GLN 41 4.014 -15.472 0.350 335 H MET 42 H MET 42 5.337 -11.450 -2.135 336 HA MET 42 HA MET 42 6.284 -12.226 0.353 337 HB2 MET 42 1HB MET 42 7.752 -10.903 -0.877 338 HB3 MET 42 2HB MET 42 6.521 -9.700 -1.240 339 HG2 MET 42 1HG MET 42 7.350 -10.080 1.588 340 HG3 MET 42 2HG MET 42 8.434 -9.227 0.491 341 HE1 MET 42 1HE MET 42 6.781 -6.064 -0.455 342 HE2 MET 42 2HE MET 42 7.803 -7.407 -0.965 343 HE3 MET 42 3HE MET 42 6.090 -7.395 -1.384 344 H LEU 43 H LEU 43 4.151 -9.474 -0.408 345 HA LEU 43 HA LEU 43 3.755 -8.634 2.237 346 HB2 LEU 43 1HB LEU 43 1.775 -8.388 -0.018 347 HB3 LEU 43 2HB LEU 43 1.903 -7.362 1.410 348 HG LEU 43 HG LEU 43 4.223 -7.497 -0.454 349 HD11 LEU 43 1HD1 LEU 43 1.559 -6.641 -1.216 350 HD12 LEU 43 2HD1 LEU 43 3.003 -6.862 -2.204 351 HD13 LEU 43 3HD1 LEU 43 2.745 -5.342 -1.348 352 HD21 LEU 43 1HD2 LEU 43 4.278 -5.062 0.204 353 HD22 LEU 43 2HD2 LEU 43 4.551 -6.216 1.509 354 HD23 LEU 43 3HD2 LEU 43 2.982 -5.427 1.344 355 H SER 44 H SER 44 2.052 -11.002 0.258 356 HA SER 44 HA SER 44 -0.189 -11.460 1.804 357 HB2 SER 44 1HB SER 44 -0.270 -12.668 -0.150 358 HB3 SER 44 2HB SER 44 1.430 -13.130 -0.060 359 HG SER 44 HG SER 44 0.938 -14.759 1.278 360 H GLU 45 H GLU 45 3.098 -12.161 2.517 361 HA GLU 45 HA GLU 45 2.606 -14.217 4.450 362 HB2 GLU 45 1HB GLU 45 5.038 -12.463 4.056 363 HB3 GLU 45 2HB GLU 45 4.969 -13.905 5.060 364 HG2 GLU 45 1HG GLU 45 4.209 -15.051 2.836 365 HG3 GLU 45 2HG GLU 45 4.997 -13.659 2.095 366 H LYS 46 H LYS 46 3.105 -10.726 4.553 367 HA LYS 46 HA LYS 46 3.044 -10.615 7.429 368 HB2 LYS 46 1HB LYS 46 3.122 -8.563 5.237 369 HB3 LYS 46 2HB LYS 46 2.807 -8.083 6.900 370 HG2 LYS 46 1HG LYS 46 5.090 -7.795 6.697 371 HG3 LYS 46 2HG LYS 46 4.963 -9.387 7.449 372 HD2 LYS 46 1HD LYS 46 5.619 -10.489 5.542 373 HD3 LYS 46 2HD LYS 46 5.043 -9.207 4.475 374 HE2 LYS 46 1HE LYS 46 6.904 -7.774 5.341 375 HE3 LYS 46 2HE LYS 46 7.519 -9.189 6.193 376 HZ1 LYS 46 1HZ LYS 46 7.013 -9.317 3.295 377 HZ2 LYS 46 2HZ LYS 46 8.083 -10.232 4.232 378 HZ3 LYS 46 3HZ LYS 46 8.442 -8.619 3.872 379 H THR 47 H THR 47 0.801 -9.956 4.785 380 HA THR 47 HA THR 47 -1.291 -9.102 6.595 381 HB THR 47 HB THR 47 -2.679 -8.853 4.603 382 HG1 THR 47 1HG THR 47 -0.610 -10.360 3.455 383 HG21 THR 47 1HG2 THR 47 0.100 -7.735 4.551 384 HG22 THR 47 2HG2 THR 47 -1.421 -6.927 4.932 385 HG23 THR 47 3HG2 THR 47 -1.039 -7.348 3.263 386 H ASN 48 H ASN 48 -0.103 -12.045 5.474 387 HA ASN 48 HA ASN 48 -0.849 -14.193 5.552 388 HB2 ASN 48 1HB ASN 48 -3.024 -13.336 7.436 389 HB3 ASN 48 2HB ASN 48 -2.067 -14.814 7.446 390 HD21 ASN 48 1HD2 ASN 48 -2.577 -12.894 9.579 391 HD22 ASN 48 2HD2 ASN 48 -1.027 -12.343 10.106 392 H LEU 49 H LEU 49 -2.007 -12.386 3.580 393 HA LEU 49 HA LEU 49 -4.727 -13.440 3.286 394 HB2 LEU 49 1HB LEU 49 -3.325 -11.306 1.685 395 HB3 LEU 49 2HB LEU 49 -5.028 -11.747 1.578 396 HG LEU 49 HG LEU 49 -3.808 -10.646 4.097 397 HD11 LEU 49 1HD1 LEU 49 -5.070 -8.522 3.225 398 HD12 LEU 49 2HD1 LEU 49 -4.738 -9.233 1.646 399 HD13 LEU 49 3HD1 LEU 49 -3.407 -8.847 2.736 400 HD21 LEU 49 1HD2 LEU 49 -6.016 -11.872 4.118 401 HD22 LEU 49 2HD2 LEU 49 -6.655 -10.560 3.126 402 HD23 LEU 49 3HD2 LEU 49 -6.042 -10.224 4.746 403 H SER 50 H SER 50 -5.205 -13.569 0.708 404 HA SER 50 HA SER 50 -3.315 -15.599 -0.262 405 HB2 SER 50 1HB SER 50 -5.143 -16.506 -1.562 406 HB3 SER 50 2HB SER 50 -5.693 -16.286 0.099 407 HG SER 50 HG SER 50 -6.721 -14.371 -0.560 408 H LEU 51 H LEU 51 -2.252 -15.356 -2.141 409 HA LEU 51 HA LEU 51 -1.652 -13.010 -3.303 410 HB2 LEU 51 1HB LEU 51 -1.828 -15.767 -4.422 411 HB3 LEU 51 2HB LEU 51 -1.463 -14.427 -5.507 412 HG LEU 51 HG LEU 51 0.164 -14.898 -3.031 413 HD11 LEU 51 1HD1 LEU 51 1.341 -16.588 -3.918 414 HD12 LEU 51 2HD1 LEU 51 1.239 -15.938 -5.553 415 HD13 LEU 51 3HD1 LEU 51 -0.108 -16.859 -4.886 416 HD21 LEU 51 1HD2 LEU 51 1.203 -13.088 -3.781 417 HD22 LEU 51 2HD2 LEU 51 0.179 -13.048 -5.217 418 HD23 LEU 51 3HD2 LEU 51 1.671 -13.990 -5.223 419 H LEU 52 H LEU 52 -4.566 -14.860 -3.858 420 HA LEU 52 HA LEU 52 -5.459 -13.436 -6.143 421 HB2 LEU 52 1HB LEU 52 -6.407 -15.559 -5.763 422 HB3 LEU 52 2HB LEU 52 -6.839 -15.154 -4.103 423 HG LEU 52 HG LEU 52 -8.568 -13.623 -4.938 424 HD11 LEU 52 1HD1 LEU 52 -8.917 -14.401 -7.581 425 HD12 LEU 52 2HD1 LEU 52 -7.191 -14.072 -7.436 426 HD13 LEU 52 3HD1 LEU 52 -8.365 -12.829 -7.002 427 HD21 LEU 52 1HD2 LEU 52 -8.843 -16.187 -4.581 428 HD22 LEU 52 2HD2 LEU 52 -9.022 -16.225 -6.335 429 HD23 LEU 52 3HD2 LEU 52 -10.133 -15.266 -5.355 430 H GLN 53 H GLN 53 -6.150 -13.126 -2.676 431 HA GLN 53 HA GLN 53 -7.972 -10.971 -2.962 432 HB2 GLN 53 1HB GLN 53 -6.402 -12.057 -0.636 433 HB3 GLN 53 2HB GLN 53 -7.423 -10.635 -0.475 434 HG2 GLN 53 1HG GLN 53 -9.377 -11.872 -0.992 435 HG3 GLN 53 2HG GLN 53 -8.434 -13.274 -1.491 436 HE21 GLN 53 1HE2 GLN 53 -8.745 -11.152 1.340 437 HE22 GLN 53 2HE2 GLN 53 -8.740 -12.425 2.507 438 H ILE 54 H ILE 54 -4.498 -11.182 -2.591 439 HA ILE 54 HA ILE 54 -3.918 -8.557 -1.861 440 HB ILE 54 HB ILE 54 -2.278 -10.336 -3.669 441 HG12 ILE 54 1HG1 ILE 54 -2.888 -11.380 -1.493 442 HG13 ILE 54 2HG1 ILE 54 -1.159 -11.098 -1.661 443 HG21 ILE 54 1HG2 ILE 54 -0.457 -8.909 -2.363 444 HG22 ILE 54 2HG2 ILE 54 -1.179 -8.356 -3.873 445 HG23 ILE 54 3HG2 ILE 54 -1.776 -7.738 -2.332 446 HD11 ILE 54 1HD1 ILE 54 -3.140 -9.674 0.063 447 HD12 ILE 54 2HD1 ILE 54 -1.614 -10.439 0.509 448 HD13 ILE 54 3HD1 ILE 54 -1.611 -8.916 -0.381 449 H SER 55 H SER 55 -3.548 -9.865 -5.159 450 HA SER 55 HA SER 55 -3.284 -7.451 -6.474 451 HB2 SER 55 1HB SER 55 -2.968 -9.792 -7.423 452 HB3 SER 55 2HB SER 55 -4.715 -9.833 -7.660 453 HG SER 55 HG SER 55 -3.251 -9.041 -9.446 454 H ASN 56 H ASN 56 -6.257 -9.267 -5.796 455 HA ASN 56 HA ASN 56 -8.099 -7.723 -7.138 456 HB2 ASN 56 1HB ASN 56 -8.343 -9.148 -4.485 457 HB3 ASN 56 2HB ASN 56 -9.715 -8.427 -5.321 458 HD21 ASN 56 1HD2 ASN 56 -10.210 -10.859 -4.974 459 HD22 ASN 56 2HD2 ASN 56 -9.861 -11.872 -6.329 460 H TRP 57 H TRP 57 -6.969 -7.267 -3.791 461 HA TRP 57 HA TRP 57 -8.454 -4.954 -3.250 462 HB2 TRP 57 1HB TRP 57 -7.451 -6.138 -1.429 463 HB3 TRP 57 2HB TRP 57 -5.840 -5.959 -2.120 464 HD1 TRP 57 HD TRP 57 -8.416 -4.124 -0.023 465 HE1 TRP 57 1HE TRP 57 -7.363 -1.967 0.906 466 HE3 TRP 57 3HE TRP 57 -4.054 -4.138 -2.689 467 HZ2 TRP 57 2HZ TRP 57 -4.996 -0.469 0.554 468 HZ3 TRP 57 3HZ TRP 57 -2.449 -2.307 -2.334 469 HH2 TRP 57 HH TRP 57 -2.913 -0.511 -0.746 470 H PHE 58 H PHE 58 -5.178 -5.347 -4.549 471 HA PHE 58 HA PHE 58 -4.454 -2.654 -4.631 472 HB2 PHE 58 1HB PHE 58 -3.588 -5.119 -6.054 473 HB3 PHE 58 2HB PHE 58 -3.103 -3.576 -6.749 474 HD1 PHE 58 2HD PHE 58 -1.691 -2.024 -5.446 475 HD2 PHE 58 1HD PHE 58 -2.600 -5.946 -4.064 476 HE1 PHE 58 2HE PHE 58 0.172 -1.888 -3.845 477 HE2 PHE 58 1HE PHE 58 -0.740 -5.815 -2.459 478 HZ PHE 58 HZ PHE 58 0.650 -3.785 -2.349 479 H ILE 59 H ILE 59 -6.184 -4.634 -6.999 480 HA ILE 59 HA ILE 59 -6.291 -2.891 -9.134 481 HB ILE 59 HB ILE 59 -8.387 -4.823 -8.150 482 HG12 ILE 59 1HG1 ILE 59 -6.498 -5.038 -10.498 483 HG13 ILE 59 2HG1 ILE 59 -6.131 -5.681 -8.902 484 HG21 ILE 59 1HG2 ILE 59 -8.830 -4.476 -10.841 485 HG22 ILE 59 2HG2 ILE 59 -9.801 -3.794 -9.537 486 HG23 ILE 59 3HG2 ILE 59 -8.516 -2.836 -10.273 487 HD11 ILE 59 1HD1 ILE 59 -8.237 -6.564 -10.837 488 HD12 ILE 59 2HD1 ILE 59 -6.935 -7.503 -10.105 489 HD13 ILE 59 3HD1 ILE 59 -8.309 -6.989 -9.127 490 H ASN 60 H ASN 60 -9.041 -3.311 -6.907 491 HA ASN 60 HA ASN 60 -10.290 -0.901 -7.630 492 HB2 ASN 60 1HB ASN 60 -11.696 -2.487 -6.629 493 HB3 ASN 60 2HB ASN 60 -10.583 -2.768 -5.293 494 HD21 ASN 60 1HD2 ASN 60 -13.156 -0.851 -6.512 495 HD22 ASN 60 2HD2 ASN 60 -13.395 0.118 -5.101 496 H ALA 61 H ALA 61 -8.243 -1.714 -4.843 497 HA ALA 61 HA ALA 61 -8.361 0.769 -3.557 498 HB1 ALA 61 1HB ALA 61 -7.483 -1.297 -2.533 499 HB2 ALA 61 2HB ALA 61 -6.051 -1.170 -3.556 500 HB3 ALA 61 3HB ALA 61 -6.387 0.073 -2.352 501 H ARG 62 H ARG 62 -6.735 -0.196 -6.426 502 HA ARG 62 HA ARG 62 -4.742 1.880 -6.364 503 HB2 ARG 62 1HB ARG 62 -4.103 -0.040 -7.568 504 HB3 ARG 62 2HB ARG 62 -5.633 -0.113 -8.432 505 HG2 ARG 62 1HG ARG 62 -4.057 2.329 -8.871 506 HG3 ARG 62 2HG ARG 62 -3.339 0.836 -9.479 507 HD2 ARG 62 1HD ARG 62 -4.603 1.275 -11.292 508 HD3 ARG 62 2HD ARG 62 -5.878 0.529 -10.329 509 HE ARG 62 HE ARG 62 -5.631 3.363 -9.920 510 HH11 ARG 62 2HH1 ARG 62 -7.055 0.868 -11.887 511 HH12 ARG 62 1HH1 ARG 62 -8.370 1.860 -12.423 512 HH21 ARG 62 2HH2 ARG 62 -7.358 4.678 -10.619 513 HH22 ARG 62 1HH2 ARG 62 -8.541 4.027 -11.702 514 H ARG 63 H ARG 63 -8.031 1.668 -7.228 515 HA ARG 63 HA ARG 63 -7.862 4.088 -8.885 516 HB2 ARG 63 1HB ARG 63 -9.778 3.442 -9.964 517 HB3 ARG 63 2HB ARG 63 -9.143 1.863 -9.524 518 HG2 ARG 63 1HG ARG 63 -10.596 2.211 -7.377 519 HG3 ARG 63 2HG ARG 63 -11.463 3.353 -8.406 520 HD2 ARG 63 1HD ARG 63 -10.864 0.650 -9.491 521 HD3 ARG 63 2HD ARG 63 -12.135 0.796 -8.279 522 HE ARG 63 HE ARG 63 -12.205 1.751 -11.003 523 HH11 ARG 63 2HH1 ARG 63 -13.584 1.972 -7.815 524 HH12 ARG 63 1HH1 ARG 63 -15.097 2.608 -8.371 525 HH21 ARG 63 2HH2 ARG 63 -14.192 2.588 -11.748 526 HH22 ARG 63 1HH2 ARG 63 -15.442 2.957 -10.609 527 H ARG 64 H ARG 64 -8.311 3.238 -5.746 528 HA ARG 64 HA ARG 64 -9.993 5.602 -5.235 529 HB2 ARG 64 1HB ARG 64 -11.043 3.281 -4.791 530 HB3 ARG 64 2HB ARG 64 -9.958 3.214 -3.409 531 HG2 ARG 64 1HG ARG 64 -10.951 5.297 -2.556 532 HG3 ARG 64 2HG ARG 64 -12.075 5.292 -3.917 533 HD2 ARG 64 1HD ARG 64 -13.363 4.278 -2.318 534 HD3 ARG 64 2HD ARG 64 -12.601 2.867 -3.053 535 HE ARG 64 HE ARG 64 -11.474 2.496 -1.093 536 HH11 ARG 64 2HH1 ARG 64 -12.803 5.713 -1.061 537 HH12 ARG 64 1HH1 ARG 64 -12.410 6.000 0.602 538 HH21 ARG 64 2HH2 ARG 64 -10.951 2.861 1.097 539 HH22 ARG 64 1HH2 ARG 64 -11.355 4.378 1.828 540 H ILE 65 H ILE 65 -7.467 3.458 -3.985 541 HA ILE 65 HA ILE 65 -6.739 5.321 -1.897 542 HB ILE 65 HB ILE 65 -5.143 2.918 -2.759 543 HG12 ILE 65 1HG1 ILE 65 -7.686 3.079 -1.184 544 HG13 ILE 65 2HG1 ILE 65 -7.200 1.898 -2.395 545 HG21 ILE 65 1HG2 ILE 65 -5.366 3.626 0.072 546 HG22 ILE 65 2HG2 ILE 65 -3.945 3.221 -0.890 547 HG23 ILE 65 3HG2 ILE 65 -4.597 4.859 -0.927 548 HD11 ILE 65 1HD1 ILE 65 -6.530 2.033 0.499 549 HD12 ILE 65 2HD1 ILE 65 -7.062 0.663 -0.477 550 HD13 ILE 65 3HD1 ILE 65 -5.406 1.253 -0.613 551 H LEU 66 H LEU 66 -4.794 3.806 -4.476 552 HA LEU 66 HA LEU 66 -2.577 5.278 -4.507 553 HB2 LEU 66 1HB LEU 66 -2.701 3.703 -6.193 554 HB3 LEU 66 2HB LEU 66 -4.258 4.296 -6.769 555 HG LEU 66 HG LEU 66 -3.115 6.270 -7.722 556 HD11 LEU 66 1HD1 LEU 66 -0.756 4.946 -6.477 557 HD12 LEU 66 2HD1 LEU 66 -1.180 6.655 -6.557 558 HD13 LEU 66 3HD1 LEU 66 -0.543 5.837 -7.984 559 HD21 LEU 66 1HD2 LEU 66 -2.468 3.484 -8.558 560 HD22 LEU 66 2HD2 LEU 66 -1.712 4.830 -9.411 561 HD23 LEU 66 3HD2 LEU 66 -3.470 4.698 -9.353 562 HA PRO 67 HA PRO 67 -4.613 8.959 -6.905 563 HB2 PRO 67 1HB PRO 67 -7.326 9.017 -6.981 564 HB3 PRO 67 2HB PRO 67 -6.348 8.219 -8.218 565 HG2 PRO 67 1HG PRO 67 -7.783 7.027 -5.877 566 HG3 PRO 67 2HG PRO 67 -7.685 6.438 -7.547 567 HD2 PRO 67 1HD PRO 67 -6.167 5.417 -5.550 568 HD3 PRO 67 2HD PRO 67 -5.599 5.510 -7.230 569 H ASP 68 H ASP 68 -6.219 7.624 -4.083 570 HA ASP 68 HA ASP 68 -7.023 10.174 -3.034 571 HB2 ASP 68 1HB ASP 68 -8.355 8.307 -2.393 572 HB3 ASP 68 2HB ASP 68 -6.944 7.392 -1.868 573 H MET 69 H MET 69 -4.191 8.199 -2.892 574 HA MET 69 HA MET 69 -3.114 9.590 -0.579 575 HB2 MET 69 1HB MET 69 -1.134 8.125 -0.945 576 HB3 MET 69 2HB MET 69 -2.634 7.235 -0.726 577 HG2 MET 69 1HG MET 69 -2.791 6.803 -3.076 578 HG3 MET 69 2HG MET 69 -1.410 7.847 -3.403 579 HE1 MET 69 1HE MET 69 -1.964 5.059 -0.582 580 HE2 MET 69 2HE MET 69 -2.704 4.479 -2.075 581 HE3 MET 69 3HE MET 69 -1.262 3.686 -1.438 582 H LEU 70 H LEU 70 -2.457 9.294 -4.050 583 HA LEU 70 HA LEU 70 -0.171 10.768 -4.312 584 HB2 LEU 70 1HB LEU 70 -2.556 10.350 -6.024 585 HB3 LEU 70 2HB LEU 70 -1.441 11.633 -6.488 586 HG LEU 70 HG LEU 70 -0.569 8.785 -6.045 587 HD11 LEU 70 1HD1 LEU 70 -1.544 8.213 -7.950 588 HD12 LEU 70 2HD1 LEU 70 -0.543 9.401 -8.784 589 HD13 LEU 70 3HD1 LEU 70 -2.139 9.856 -8.187 590 HD21 LEU 70 1HD2 LEU 70 1.366 9.985 -6.018 591 HD22 LEU 70 2HD2 LEU 70 0.698 11.299 -6.987 592 HD23 LEU 70 3HD2 LEU 70 1.184 9.790 -7.762 593 H GLN 71 H GLN 71 -3.447 11.963 -3.820 594 HA GLN 71 HA GLN 71 -3.136 14.646 -4.351 595 HB2 GLN 71 1HB GLN 71 -4.764 13.265 -2.219 596 HB3 GLN 71 2HB GLN 71 -4.878 14.991 -2.538 597 HG2 GLN 71 1HG GLN 71 -5.332 14.243 -4.982 598 HG3 GLN 71 2HG GLN 71 -5.725 12.693 -4.240 599 HE21 GLN 71 1HE2 GLN 71 -7.485 12.568 -2.812 600 HE22 GLN 71 2HE2 GLN 71 -8.738 13.758 -2.820 601 H GLN 72 H GLN 72 -1.273 15.644 -3.771 602 HA GLN 72 HA GLN 72 -0.250 15.398 -1.067 603 HB2 GLN 72 1HB GLN 72 1.198 15.480 -3.159 604 HB3 GLN 72 2HB GLN 72 0.805 17.192 -3.249 605 HG2 GLN 72 1HG GLN 72 2.049 17.719 -1.402 606 HG3 GLN 72 2HG GLN 72 1.900 16.105 -0.707 607 HE21 GLN 72 1HE2 GLN 72 4.275 17.735 -1.111 608 HE22 GLN 72 2HE2 GLN 72 5.338 16.802 -2.103 609 H ARG 73 H ARG 73 -0.458 16.864 0.521 610 HA ARG 73 HA ARG 73 -1.276 19.584 -0.059 611 HB2 ARG 73 1HB ARG 73 -3.044 17.593 1.326 612 HB3 ARG 73 2HB ARG 73 -3.142 19.302 1.731 613 HG2 ARG 73 1HG ARG 73 -3.761 19.868 -0.505 614 HG3 ARG 73 2HG ARG 73 -3.456 18.220 -1.058 615 HD2 ARG 73 1HD ARG 73 -5.436 18.717 1.123 616 HD3 ARG 73 2HD ARG 73 -5.892 19.006 -0.555 617 HE ARG 73 HE ARG 73 -4.706 16.437 -0.186 618 HH11 ARG 73 2HH1 ARG 73 -7.662 18.242 0.155 619 HH12 ARG 73 1HH1 ARG 73 -8.683 16.850 0.009 620 HH21 ARG 73 2HH2 ARG 73 -6.038 14.596 -0.379 621 HH22 ARG 73 1HH2 ARG 73 -7.758 14.776 -0.294 622 H ARG 74 H ARG 74 -0.368 20.966 1.334 623 HA ARG 74 HA ARG 74 1.117 19.866 3.585 624 HB2 ARG 74 1HB ARG 74 1.102 22.598 2.297 625 HB3 ARG 74 2HB ARG 74 2.061 22.197 3.715 626 HG2 ARG 74 1HG ARG 74 3.594 21.915 2.037 627 HG3 ARG 74 2HG ARG 74 2.970 20.274 2.208 628 HD2 ARG 74 1HD ARG 74 1.323 20.860 0.373 629 HD3 ARG 74 2HD ARG 74 2.284 22.315 0.108 630 HE ARG 74 HE ARG 74 3.838 19.904 0.067 631 HH11 ARG 74 2HH1 ARG 74 1.827 22.031 -1.818 632 HH12 ARG 74 1HH1 ARG 74 2.526 21.562 -3.332 633 HH21 ARG 74 2HH2 ARG 74 4.766 19.279 -1.921 634 HH22 ARG 74 1HH2 ARG 74 4.197 19.996 -3.390 635 H ASN 75 H ASN 75 0.109 19.708 5.473 636 HA ASN 75 HA ASN 75 -1.194 22.008 6.620 637 HB2 ASN 75 1HB ASN 75 -2.802 19.473 6.239 638 HB3 ASN 75 2HB ASN 75 -3.342 20.951 7.030 639 HD21 ASN 75 1HD2 ASN 75 -3.852 22.748 5.790 640 HD22 ASN 75 2HD2 ASN 75 -4.115 22.644 4.085 641 H ASP 76 H ASP 76 -0.668 22.082 8.699 642 HA ASP 76 HA ASP 76 -0.026 19.554 10.072 643 HB2 ASP 76 1HB ASP 76 1.286 22.263 10.331 644 HB3 ASP 76 2HB ASP 76 1.554 20.944 11.468 645 HA PRO 77 HA PRO 77 -3.565 21.334 12.363 646 HB2 PRO 77 1HB PRO 77 -4.523 18.923 13.162 647 HB3 PRO 77 2HB PRO 77 -4.891 19.627 11.584 648 HG2 PRO 77 1HG PRO 77 -2.862 17.547 12.303 649 HG3 PRO 77 2HG PRO 77 -3.967 17.599 10.918 650 HD2 PRO 77 1HD PRO 77 -1.357 18.294 10.726 651 HD3 PRO 77 2HD PRO 77 -2.622 19.054 9.740 652 H SER 78 H SER 78 -4.224 20.996 14.662 653 HA SER 78 HA SER 78 -1.834 20.650 16.303 654 HB2 SER 78 1HB SER 78 -3.161 22.717 16.568 655 HB3 SER 78 2HB SER 78 -4.557 21.750 17.045 656 HG SER 78 HG SER 78 -3.595 21.252 18.923 657 H GLY 79 H GLY 79 -1.816 19.363 18.197 658 HA2 GLY 79 1HA GLY 79 -3.958 17.342 18.355 659 HA3 GLY 79 2HA GLY 79 -2.271 16.850 18.310 660 HA PRO 80 HA PRO 80 -3.567 17.231 22.748 661 HB2 PRO 80 1HB PRO 80 -2.489 14.860 23.512 662 HB3 PRO 80 2HB PRO 80 -4.124 15.005 22.858 663 HG2 PRO 80 1HG PRO 80 -1.600 14.170 21.481 664 HG3 PRO 80 2HG PRO 80 -3.224 13.468 21.363 665 HD2 PRO 80 1HD PRO 80 -2.222 15.144 19.487 666 HD3 PRO 80 2HD PRO 80 -3.951 15.081 19.885 667 H SER 81 H SER 81 -2.143 18.846 23.289 668 HA SER 81 HA SER 81 0.691 18.550 23.119 669 HB2 SER 81 1HB SER 81 -0.358 20.758 22.969 670 HB3 SER 81 2HB SER 81 -0.980 20.590 24.611 671 HG SER 81 HG SER 81 1.127 20.619 25.379 672 H SER 82 H SER 82 -1.505 18.832 25.917 673 HA SER 82 HA SER 82 0.379 17.162 27.443 674 HB2 SER 82 1HB SER 82 -0.795 19.814 28.151 675 HB3 SER 82 2HB SER 82 -0.579 18.632 29.442 676 HG SER 82 HG SER 82 1.560 19.036 27.704 677 H GLY 83 H GLY 83 -0.551 15.361 28.138 678 HA2 GLY 83 1HA GLY 83 -3.313 15.436 29.092 679 HA3 GLY 83 2HA GLY 83 -2.957 14.347 27.760 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.237 -25.796 -2.072 2 HA2 GLY 1 1HA GLY 1 6.681 -23.959 -0.969 3 HA3 GLY 1 2HA GLY 1 6.270 -23.721 -2.661 4 H SER 2 H SER 2 4.386 -24.453 -0.741 5 HA SER 2 HA SER 2 3.946 -27.266 -0.702 6 HB2 SER 2 1HB SER 2 2.098 -24.938 -0.137 7 HB3 SER 2 2HB SER 2 1.658 -26.626 0.116 8 HG SER 2 HG SER 2 3.961 -25.477 1.287 9 H SER 3 H SER 3 2.610 -24.603 -2.625 10 HA SER 3 HA SER 3 1.204 -24.608 -4.441 11 HB2 SER 3 1HB SER 3 3.426 -26.520 -5.036 12 HB3 SER 3 2HB SER 3 2.114 -26.358 -6.203 13 HG SER 3 HG SER 3 4.028 -24.899 -6.389 14 H GLY 4 H GLY 4 -0.019 -25.978 -2.413 15 HA2 GLY 4 1HA GLY 4 -1.849 -27.619 -3.852 16 HA3 GLY 4 2HA GLY 4 -0.800 -28.597 -2.836 17 H SER 5 H SER 5 -3.272 -26.112 -2.863 18 HA SER 5 HA SER 5 -4.040 -26.918 -0.161 19 HB2 SER 5 1HB SER 5 -4.294 -24.576 0.564 20 HB3 SER 5 2HB SER 5 -2.617 -24.945 0.161 21 HG SER 5 HG SER 5 -3.764 -22.927 -0.714 22 H SER 6 H SER 6 -6.184 -25.775 0.433 23 HA SER 6 HA SER 6 -7.899 -25.726 -1.965 24 HB2 SER 6 1HB SER 6 -8.084 -27.681 -0.227 25 HB3 SER 6 2HB SER 6 -8.960 -26.490 0.735 26 HG SER 6 HG SER 6 -9.597 -27.215 -1.936 27 H GLY 7 H GLY 7 -9.082 -23.951 -2.290 28 HA2 GLY 7 1HA GLY 7 -9.185 -21.968 -0.107 29 HA3 GLY 7 2HA GLY 7 -9.209 -21.574 -1.820 30 H LYS 8 H LYS 8 -11.079 -20.956 0.442 31 HA LYS 8 HA LYS 8 -13.523 -22.204 -0.618 32 HB2 LYS 8 1HB LYS 8 -14.593 -21.576 1.478 33 HB3 LYS 8 2HB LYS 8 -13.138 -22.511 1.793 34 HG2 LYS 8 1HG LYS 8 -11.929 -20.549 2.420 35 HG3 LYS 8 2HG LYS 8 -13.254 -19.506 1.901 36 HD2 LYS 8 1HD LYS 8 -13.467 -19.613 4.233 37 HD3 LYS 8 2HD LYS 8 -14.673 -20.751 3.626 38 HE2 LYS 8 1HE LYS 8 -13.320 -22.615 4.166 39 HE3 LYS 8 2HE LYS 8 -11.903 -21.601 4.435 40 HZ1 LYS 8 1HZ LYS 8 -14.261 -21.115 6.095 41 HZ2 LYS 8 2HZ LYS 8 -12.620 -20.977 6.483 42 HZ3 LYS 8 3HZ LYS 8 -13.348 -22.503 6.419 43 H LYS 9 H LYS 9 -15.488 -20.734 -0.514 44 HA LYS 9 HA LYS 9 -14.992 -18.448 -2.133 45 HB2 LYS 9 1HB LYS 9 -17.474 -19.530 -0.806 46 HB3 LYS 9 2HB LYS 9 -17.489 -18.059 -1.770 47 HG2 LYS 9 1HG LYS 9 -18.083 -19.550 -3.370 48 HG3 LYS 9 2HG LYS 9 -16.329 -19.643 -3.543 49 HD2 LYS 9 1HD LYS 9 -16.290 -21.612 -2.092 50 HD3 LYS 9 2HD LYS 9 -18.043 -21.515 -1.908 51 HE2 LYS 9 1HE LYS 9 -18.282 -21.822 -4.345 52 HE3 LYS 9 2HE LYS 9 -16.532 -21.993 -4.476 53 HZ1 LYS 9 1HZ LYS 9 -17.720 -24.132 -4.406 54 HZ2 LYS 9 2HZ LYS 9 -18.275 -23.765 -2.851 55 HZ3 LYS 9 3HZ LYS 9 -16.618 -23.960 -3.133 56 H ARG 10 H ARG 10 -14.375 -16.507 -1.474 57 HA ARG 10 HA ARG 10 -15.408 -15.456 1.056 58 HB2 ARG 10 1HB ARG 10 -12.514 -15.721 0.289 59 HB3 ARG 10 2HB ARG 10 -13.044 -14.471 1.406 60 HG2 ARG 10 1HG ARG 10 -13.673 -17.372 1.842 61 HG3 ARG 10 2HG ARG 10 -12.176 -16.631 2.411 62 HD2 ARG 10 1HD ARG 10 -13.566 -16.451 4.256 63 HD3 ARG 10 2HD ARG 10 -13.738 -14.874 3.488 64 HE ARG 10 HE ARG 10 -15.721 -16.630 2.523 65 HH11 ARG 10 2HH1 ARG 10 -14.837 -14.831 5.369 66 HH12 ARG 10 1HH1 ARG 10 -16.468 -14.662 5.928 67 HH21 ARG 10 2HH2 ARG 10 -17.873 -16.415 3.249 68 HH22 ARG 10 1HH2 ARG 10 -18.194 -15.564 4.722 69 H LYS 11 H LYS 11 -16.262 -13.516 0.748 70 HA LYS 11 HA LYS 11 -15.155 -11.801 -1.373 71 HB2 LYS 11 1HB LYS 11 -17.377 -11.080 -1.988 72 HB3 LYS 11 2HB LYS 11 -17.297 -12.835 -2.084 73 HG2 LYS 11 1HG LYS 11 -18.351 -12.924 0.181 74 HG3 LYS 11 2HG LYS 11 -18.586 -11.178 0.070 75 HD2 LYS 11 1HD LYS 11 -19.772 -11.673 -2.149 76 HD3 LYS 11 2HD LYS 11 -19.815 -13.351 -1.602 77 HE2 LYS 11 1HE LYS 11 -20.887 -11.036 0.001 78 HE3 LYS 11 2HE LYS 11 -21.872 -12.008 -1.091 79 HZ1 LYS 11 1HZ LYS 11 -21.989 -13.657 0.382 80 HZ2 LYS 11 2HZ LYS 11 -21.439 -12.541 1.528 81 HZ3 LYS 11 3HZ LYS 11 -20.343 -13.579 0.765 82 H GLY 12 H GLY 12 -14.789 -9.721 -0.828 83 HA2 GLY 12 1HA GLY 12 -15.983 -7.932 0.695 84 HA3 GLY 12 2HA GLY 12 -15.321 -8.970 1.949 85 H ASN 13 H ASN 13 -14.363 -6.715 2.387 86 HA ASN 13 HA ASN 13 -11.937 -6.277 0.795 87 HB2 ASN 13 1HB ASN 13 -13.650 -4.410 1.377 88 HB3 ASN 13 2HB ASN 13 -12.898 -4.438 2.969 89 HD21 ASN 13 1HD2 ASN 13 -12.440 -3.748 -0.409 90 HD22 ASN 13 2HD2 ASN 13 -10.984 -2.836 -0.231 91 H LEU 14 H LEU 14 -9.939 -5.744 1.961 92 HA LEU 14 HA LEU 14 -9.500 -7.631 4.107 93 HB2 LEU 14 1HB LEU 14 -7.421 -5.727 3.126 94 HB3 LEU 14 2HB LEU 14 -7.236 -7.379 3.710 95 HG LEU 14 HG LEU 14 -8.676 -6.902 1.140 96 HD11 LEU 14 1HD1 LEU 14 -6.806 -5.629 0.626 97 HD12 LEU 14 2HD1 LEU 14 -6.353 -7.241 0.074 98 HD13 LEU 14 3HD1 LEU 14 -5.732 -6.628 1.607 99 HD21 LEU 14 1HD2 LEU 14 -7.913 -9.130 2.623 100 HD22 LEU 14 2HD2 LEU 14 -6.772 -9.068 1.278 101 HD23 LEU 14 3HD2 LEU 14 -8.508 -9.111 0.962 102 HA PRO 15 HA PRO 15 -9.728 -4.840 7.491 103 HB2 PRO 15 1HB PRO 15 -7.915 -5.953 9.178 104 HB3 PRO 15 2HB PRO 15 -9.495 -6.675 8.853 105 HG2 PRO 15 1HG PRO 15 -6.823 -7.362 7.691 106 HG3 PRO 15 2HG PRO 15 -8.109 -8.445 8.255 107 HD2 PRO 15 1HD PRO 15 -7.716 -7.890 5.634 108 HD3 PRO 15 2HD PRO 15 -9.325 -8.218 6.310 109 H ALA 16 H ALA 16 -8.786 -2.991 8.226 110 HA ALA 16 HA ALA 16 -6.818 -1.691 6.858 111 HB1 ALA 16 1HB ALA 16 -7.040 -1.211 9.797 112 HB2 ALA 16 2HB ALA 16 -6.885 -0.051 8.476 113 HB3 ALA 16 3HB ALA 16 -8.418 -0.879 8.747 114 H GLU 17 H GLU 17 -6.296 -3.212 10.049 115 HA GLU 17 HA GLU 17 -3.666 -2.925 10.433 116 HB2 GLU 17 1HB GLU 17 -3.611 -5.089 11.558 117 HB3 GLU 17 2HB GLU 17 -5.111 -4.245 11.915 118 HG2 GLU 17 1HG GLU 17 -6.312 -5.623 10.345 119 HG3 GLU 17 2HG GLU 17 -4.816 -6.413 9.850 120 H SER 18 H SER 18 -5.097 -5.244 8.176 121 HA SER 18 HA SER 18 -2.543 -6.268 7.338 122 HB2 SER 18 1HB SER 18 -3.736 -7.756 5.990 123 HB3 SER 18 2HB SER 18 -4.858 -7.465 7.319 124 HG SER 18 HG SER 18 -6.193 -6.574 5.966 125 H VAL 19 H VAL 19 -4.925 -3.988 6.084 126 HA VAL 19 HA VAL 19 -3.899 -3.575 3.536 127 HB VAL 19 HB VAL 19 -5.165 -1.503 5.334 128 HG11 VAL 19 1HG1 VAL 19 -5.922 -0.729 2.931 129 HG12 VAL 19 2HG1 VAL 19 -4.372 -0.225 3.609 130 HG13 VAL 19 3HG1 VAL 19 -4.439 -1.553 2.449 131 HG21 VAL 19 1HG2 VAL 19 -6.672 -2.941 3.215 132 HG22 VAL 19 2HG2 VAL 19 -6.343 -3.795 4.723 133 HG23 VAL 19 3HG2 VAL 19 -7.234 -2.273 4.748 134 H LYS 20 H LYS 20 -3.161 -1.766 6.517 135 HA LYS 20 HA LYS 20 -1.446 0.128 5.738 136 HB2 LYS 20 1HB LYS 20 -1.849 -0.209 8.073 137 HB3 LYS 20 2HB LYS 20 -1.093 -1.797 8.036 138 HG2 LYS 20 1HG LYS 20 1.044 -0.925 7.957 139 HG3 LYS 20 2HG LYS 20 0.497 0.630 7.325 140 HD2 LYS 20 1HD LYS 20 -0.698 0.906 9.577 141 HD3 LYS 20 2HD LYS 20 0.315 -0.429 10.131 142 HE2 LYS 20 1HE LYS 20 1.586 1.398 10.729 143 HE3 LYS 20 2HE LYS 20 2.256 1.005 9.146 144 HZ1 LYS 20 1HZ LYS 20 0.254 3.118 9.732 145 HZ2 LYS 20 2HZ LYS 20 0.796 2.707 8.183 146 HZ3 LYS 20 3HZ LYS 20 1.875 3.359 9.312 147 H ILE 21 H ILE 21 -0.707 -3.316 5.809 148 HA ILE 21 HA ILE 21 2.047 -3.083 5.202 149 HB ILE 21 HB ILE 21 0.104 -5.355 4.809 150 HG12 ILE 21 1HG1 ILE 21 1.856 -6.223 6.637 151 HG13 ILE 21 2HG1 ILE 21 2.005 -4.494 6.930 152 HG21 ILE 21 1HG2 ILE 21 2.753 -6.316 4.808 153 HG22 ILE 21 2HG2 ILE 21 1.576 -6.371 3.497 154 HG23 ILE 21 3HG2 ILE 21 2.683 -5.005 3.631 155 HD11 ILE 21 1HD1 ILE 21 -0.615 -5.965 6.931 156 HD12 ILE 21 2HD1 ILE 21 0.354 -5.668 8.375 157 HD13 ILE 21 3HD1 ILE 21 -0.305 -4.312 7.461 158 H LEU 22 H LEU 22 -0.813 -3.619 3.167 159 HA LEU 22 HA LEU 22 0.664 -3.737 0.731 160 HB2 LEU 22 1HB LEU 22 -2.262 -3.239 1.250 161 HB3 LEU 22 2HB LEU 22 -1.558 -3.514 -0.342 162 HG LEU 22 HG LEU 22 -1.605 -5.503 1.928 163 HD11 LEU 22 1HD1 LEU 22 -3.776 -5.550 1.222 164 HD12 LEU 22 2HD1 LEU 22 -3.058 -6.678 0.072 165 HD13 LEU 22 3HD1 LEU 22 -3.376 -5.012 -0.410 166 HD21 LEU 22 1HD2 LEU 22 -0.649 -5.754 -0.922 167 HD22 LEU 22 2HD2 LEU 22 -0.803 -7.086 0.224 168 HD23 LEU 22 3HD2 LEU 22 0.354 -5.789 0.529 169 H ARG 23 H ARG 23 -1.329 -1.226 2.269 170 HA ARG 23 HA ARG 23 -1.118 0.735 0.319 171 HB2 ARG 23 1HB ARG 23 -1.523 0.794 3.282 172 HB3 ARG 23 2HB ARG 23 -1.253 2.307 2.427 173 HG2 ARG 23 1HG ARG 23 -3.170 1.803 0.971 174 HG3 ARG 23 2HG ARG 23 -3.457 0.327 1.895 175 HD2 ARG 23 1HD ARG 23 -3.784 3.181 2.733 176 HD3 ARG 23 2HD ARG 23 -4.932 1.848 2.850 177 HE ARG 23 HE ARG 23 -3.920 1.169 4.818 178 HH11 ARG 23 2HH1 ARG 23 -2.106 3.741 3.331 179 HH12 ARG 23 1HH1 ARG 23 -1.124 4.033 4.729 180 HH21 ARG 23 2HH2 ARG 23 -2.635 1.543 6.665 181 HH22 ARG 23 1HH2 ARG 23 -1.426 2.781 6.624 182 H ASP 24 H ASP 24 0.841 0.567 3.299 183 HA ASP 24 HA ASP 24 2.640 2.518 2.930 184 HB2 ASP 24 1HB ASP 24 2.554 0.591 4.700 185 HB3 ASP 24 2HB ASP 24 3.729 -0.183 3.641 186 H TRP 25 H TRP 25 2.776 -0.637 1.322 187 HA TRP 25 HA TRP 25 5.166 -0.017 -0.128 188 HB2 TRP 25 1HB TRP 25 4.721 -2.324 0.332 189 HB3 TRP 25 2HB TRP 25 3.122 -2.224 -0.402 190 HD1 TRP 25 HD TRP 25 6.697 -2.980 -1.212 191 HE1 TRP 25 1HE TRP 25 6.937 -3.480 -3.725 192 HE3 TRP 25 3HE TRP 25 2.082 -1.446 -2.788 193 HZ2 TRP 25 2HZ TRP 25 5.376 -3.254 -6.066 194 HZ3 TRP 25 3HZ TRP 25 1.535 -1.620 -5.180 195 HH2 TRP 25 HH TRP 25 3.149 -2.505 -6.784 196 H MET 26 H MET 26 1.709 0.065 -0.819 197 HA MET 26 HA MET 26 1.847 0.522 -3.578 198 HB2 MET 26 1HB MET 26 -0.247 -0.056 -2.526 199 HB3 MET 26 2HB MET 26 -0.208 1.404 -1.547 200 HG2 MET 26 1HG MET 26 -1.647 2.086 -3.154 201 HG3 MET 26 2HG MET 26 -0.132 2.560 -3.919 202 HE1 MET 26 1HE MET 26 -3.028 1.939 -5.648 203 HE2 MET 26 2HE MET 26 -3.318 0.204 -5.766 204 HE3 MET 26 3HE MET 26 -3.332 0.995 -4.189 205 H TYR 27 H TYR 27 2.350 2.642 -0.865 206 HA TYR 27 HA TYR 27 2.073 5.097 -2.272 207 HB2 TYR 27 1HB TYR 27 1.909 4.934 0.186 208 HB3 TYR 27 2HB TYR 27 3.615 4.510 0.265 209 HD1 TYR 27 2HD TYR 27 1.449 7.199 -1.178 210 HD2 TYR 27 1HD TYR 27 5.092 6.201 0.781 211 HE1 TYR 27 2HE TYR 27 2.029 9.585 -1.055 212 HE2 TYR 27 1HE TYR 27 5.682 8.585 0.911 213 HH TYR 27 HH TYR 27 5.136 10.655 0.272 214 H LYS 28 H LYS 28 4.944 3.289 -1.180 215 HA LYS 28 HA LYS 28 6.855 4.950 -2.374 216 HB2 LYS 28 1HB LYS 28 6.902 2.038 -1.602 217 HB3 LYS 28 2HB LYS 28 8.307 2.844 -2.288 218 HG2 LYS 28 1HG LYS 28 8.410 4.368 -0.441 219 HG3 LYS 28 2HG LYS 28 6.890 3.749 0.209 220 HD2 LYS 28 1HD LYS 28 9.125 1.834 -0.240 221 HD3 LYS 28 2HD LYS 28 9.224 2.932 1.139 222 HE2 LYS 28 1HE LYS 28 6.902 2.149 1.761 223 HE3 LYS 28 2HE LYS 28 7.092 0.892 0.539 224 HZ1 LYS 28 1HZ LYS 28 8.865 -0.066 1.721 225 HZ2 LYS 28 2HZ LYS 28 7.681 0.257 2.884 226 HZ3 LYS 28 3HZ LYS 28 9.029 1.270 2.747 227 H HIS 29 H HIS 29 5.127 2.132 -3.622 228 HA HIS 29 HA HIS 29 6.446 2.452 -6.216 229 HB2 HIS 29 1HB HIS 29 4.543 0.288 -5.294 230 HB3 HIS 29 2HB HIS 29 5.474 0.292 -6.790 231 HD1 HIS 29 1HD HIS 29 8.075 -0.055 -6.552 232 HD2 HIS 29 2HD HIS 29 5.892 -0.608 -3.060 233 HE1 HIS 29 1HE HIS 29 9.624 -1.251 -4.973 234 HE2 HIS 29 2HE HIS 29 8.254 -1.651 -2.898 235 H ARG 30 H ARG 30 3.934 3.825 -4.736 236 HA ARG 30 HA ARG 30 1.630 3.599 -6.098 237 HB2 ARG 30 1HB ARG 30 1.162 5.897 -5.644 238 HB3 ARG 30 2HB ARG 30 2.156 5.296 -4.324 239 HG2 ARG 30 1HG ARG 30 4.139 6.284 -5.541 240 HG3 ARG 30 2HG ARG 30 2.970 7.093 -6.586 241 HD2 ARG 30 1HD ARG 30 2.195 8.450 -4.893 242 HD3 ARG 30 2HD ARG 30 2.689 7.328 -3.626 243 HE ARG 30 HE ARG 30 5.042 8.130 -4.689 244 HH11 ARG 30 2HH1 ARG 30 2.263 9.835 -3.469 245 HH12 ARG 30 1HH1 ARG 30 3.176 11.207 -2.935 246 HH21 ARG 30 2HH2 ARG 30 6.255 9.931 -3.991 247 HH22 ARG 30 1HH2 ARG 30 5.446 11.261 -3.234 248 H PHE 31 H PHE 31 4.620 4.858 -7.373 249 HA PHE 31 HA PHE 31 3.962 6.305 -9.549 250 HB2 PHE 31 1HB PHE 31 6.022 4.120 -9.290 251 HB3 PHE 31 2HB PHE 31 5.888 5.109 -10.741 252 HD1 PHE 31 1HD PHE 31 5.334 7.757 -9.661 253 HD2 PHE 31 2HD PHE 31 7.996 4.742 -8.269 254 HE1 PHE 31 1HE PHE 31 6.738 9.485 -8.614 255 HE2 PHE 31 2HE PHE 31 9.404 6.465 -7.219 256 HZ PHE 31 HZ PHE 31 8.775 8.840 -7.389 257 H LYS 32 H LYS 32 3.834 2.764 -9.368 258 HA LYS 32 HA LYS 32 2.237 2.773 -11.845 259 HB2 LYS 32 1HB LYS 32 3.032 0.565 -12.316 260 HB3 LYS 32 2HB LYS 32 4.431 1.565 -11.947 261 HG2 LYS 32 1HG LYS 32 3.196 0.040 -9.722 262 HG3 LYS 32 2HG LYS 32 4.123 -0.854 -10.930 263 HD2 LYS 32 1HD LYS 32 5.299 1.621 -9.754 264 HD3 LYS 32 2HD LYS 32 5.286 0.143 -8.790 265 HE2 LYS 32 1HE LYS 32 6.392 -1.026 -10.690 266 HE3 LYS 32 2HE LYS 32 6.517 0.526 -11.516 267 HZ1 LYS 32 1HZ LYS 32 7.537 0.665 -8.860 268 HZ2 LYS 32 2HZ LYS 32 8.292 1.060 -10.321 269 HZ3 LYS 32 3HZ LYS 32 8.328 -0.534 -9.755 270 H ALA 33 H ALA 33 2.361 1.889 -8.509 271 HA ALA 33 HA ALA 33 0.855 0.945 -7.084 272 HB1 ALA 33 1HB ALA 33 -1.482 1.459 -7.467 273 HB2 ALA 33 2HB ALA 33 -0.480 2.854 -7.872 274 HB3 ALA 33 3HB ALA 33 -1.144 1.842 -9.155 275 H TYR 34 H TYR 34 2.092 -0.969 -8.465 276 HA TYR 34 HA TYR 34 0.121 -3.057 -8.567 277 HB2 TYR 34 1HB TYR 34 1.512 -2.140 -11.077 278 HB3 TYR 34 2HB TYR 34 0.902 -3.782 -10.902 279 HD1 TYR 34 1HD TYR 34 -1.634 -3.864 -10.016 280 HD2 TYR 34 2HD TYR 34 0.136 -0.619 -12.123 281 HE1 TYR 34 1HE TYR 34 -3.867 -3.114 -10.725 282 HE2 TYR 34 2HE TYR 34 -2.092 0.140 -12.837 283 HH TYR 34 HH TYR 34 -4.284 -0.177 -12.677 284 HA PRO 35 HA PRO 35 3.988 -4.685 -6.912 285 HB2 PRO 35 1HB PRO 35 2.818 -6.796 -5.670 286 HB3 PRO 35 2HB PRO 35 2.832 -5.166 -4.986 287 HG2 PRO 35 1HG PRO 35 0.656 -6.571 -6.487 288 HG3 PRO 35 2HG PRO 35 0.542 -5.567 -5.030 289 HD2 PRO 35 1HD PRO 35 -0.068 -4.630 -7.497 290 HD3 PRO 35 2HD PRO 35 0.623 -3.599 -6.227 291 H SER 36 H SER 36 5.208 -6.593 -7.290 292 HA SER 36 HA SER 36 4.414 -7.987 -9.734 293 HB2 SER 36 1HB SER 36 6.651 -6.916 -9.631 294 HB3 SER 36 2HB SER 36 7.083 -7.992 -8.302 295 HG SER 36 HG SER 36 7.260 -9.626 -9.658 296 H GLU 37 H GLU 37 4.584 -10.274 -9.929 297 HA GLU 37 HA GLU 37 3.275 -11.830 -8.196 298 HB2 GLU 37 1HB GLU 37 5.623 -12.551 -9.935 299 HB3 GLU 37 2HB GLU 37 4.761 -13.767 -9.003 300 HG2 GLU 37 1HG GLU 37 2.655 -12.884 -10.159 301 HG3 GLU 37 2HG GLU 37 3.765 -12.095 -11.278 302 H GLU 38 H GLU 38 6.587 -10.788 -7.829 303 HA GLU 38 HA GLU 38 7.151 -12.552 -5.628 304 HB2 GLU 38 1HB GLU 38 8.616 -10.169 -6.763 305 HB3 GLU 38 2HB GLU 38 9.205 -11.100 -5.392 306 HG2 GLU 38 1HG GLU 38 8.890 -11.963 -8.242 307 HG3 GLU 38 2HG GLU 38 10.343 -11.952 -7.244 308 H GLU 39 H GLU 39 6.523 -9.070 -5.985 309 HA GLU 39 HA GLU 39 6.749 -8.297 -3.342 310 HB2 GLU 39 1HB GLU 39 4.734 -7.261 -5.344 311 HB3 GLU 39 2HB GLU 39 5.283 -6.425 -3.898 312 HG2 GLU 39 1HG GLU 39 7.111 -7.220 -6.147 313 HG3 GLU 39 2HG GLU 39 6.308 -5.654 -6.045 314 H LYS 40 H LYS 40 3.791 -9.355 -5.022 315 HA LYS 40 HA LYS 40 2.045 -9.230 -2.868 316 HB2 LYS 40 1HB LYS 40 1.733 -11.494 -4.770 317 HB3 LYS 40 2HB LYS 40 0.541 -10.334 -4.199 318 HG2 LYS 40 1HG LYS 40 1.810 -8.620 -5.615 319 HG3 LYS 40 2HG LYS 40 2.571 -10.017 -6.378 320 HD2 LYS 40 1HD LYS 40 0.268 -10.894 -6.850 321 HD3 LYS 40 2HD LYS 40 -0.367 -9.348 -6.284 322 HE2 LYS 40 1HE LYS 40 0.712 -8.168 -8.039 323 HE3 LYS 40 2HE LYS 40 1.670 -9.578 -8.488 324 HZ1 LYS 40 1HZ LYS 40 -0.949 -8.839 -9.326 325 HZ2 LYS 40 2HZ LYS 40 -0.939 -10.400 -8.674 326 HZ3 LYS 40 3HZ LYS 40 0.089 -10.015 -9.962 327 H GLN 41 H GLN 41 3.581 -12.208 -4.101 328 HA GLN 41 HA GLN 41 2.883 -13.960 -2.145 329 HB2 GLN 41 1HB GLN 41 4.302 -14.387 -4.214 330 HB3 GLN 41 2HB GLN 41 5.684 -13.871 -3.257 331 HG2 GLN 41 1HG GLN 41 5.508 -16.286 -3.298 332 HG3 GLN 41 2HG GLN 41 5.265 -15.667 -1.666 333 HE21 GLN 41 1HE2 GLN 41 3.119 -15.599 -0.832 334 HE22 GLN 41 2HE2 GLN 41 1.914 -16.684 -1.428 335 H MET 42 H MET 42 4.990 -11.258 -1.830 336 HA MET 42 HA MET 42 6.169 -12.204 0.651 337 HB2 MET 42 1HB MET 42 7.758 -10.960 -0.435 338 HB3 MET 42 2HB MET 42 6.575 -9.874 -1.153 339 HG2 MET 42 1HG MET 42 6.258 -8.832 1.073 340 HG3 MET 42 2HG MET 42 7.557 -9.850 1.690 341 HE1 MET 42 1HE MET 42 7.824 -6.588 -1.459 342 HE2 MET 42 2HE MET 42 6.401 -7.438 -0.855 343 HE3 MET 42 3HE MET 42 7.112 -6.128 0.088 344 H LEU 43 H LEU 43 4.028 -9.565 -0.402 345 HA LEU 43 HA LEU 43 3.529 -8.516 2.156 346 HB2 LEU 43 1HB LEU 43 1.679 -8.477 -0.221 347 HB3 LEU 43 2HB LEU 43 1.656 -7.373 1.153 348 HG LEU 43 HG LEU 43 4.082 -7.525 -0.588 349 HD11 LEU 43 1HD1 LEU 43 3.170 -5.824 -2.049 350 HD12 LEU 43 2HD1 LEU 43 1.633 -5.873 -1.187 351 HD13 LEU 43 3HD1 LEU 43 2.169 -7.275 -2.112 352 HD21 LEU 43 1HD2 LEU 43 3.992 -6.258 1.587 353 HD22 LEU 43 2HD2 LEU 43 2.812 -5.190 0.825 354 HD23 LEU 43 3HD2 LEU 43 4.447 -5.309 0.171 355 H SER 44 H SER 44 1.931 -11.050 0.297 356 HA SER 44 HA SER 44 -0.344 -11.411 1.852 357 HB2 SER 44 1HB SER 44 -0.674 -13.360 0.669 358 HB3 SER 44 2HB SER 44 0.502 -12.570 -0.381 359 HG SER 44 HG SER 44 0.949 -14.621 1.518 360 H GLU 45 H GLU 45 2.950 -12.189 2.524 361 HA GLU 45 HA GLU 45 2.432 -14.144 4.548 362 HB2 GLU 45 1HB GLU 45 4.884 -12.523 3.863 363 HB3 GLU 45 2HB GLU 45 4.849 -13.720 5.150 364 HG2 GLU 45 1HG GLU 45 4.182 -15.418 3.452 365 HG3 GLU 45 2HG GLU 45 4.445 -14.196 2.209 366 H LYS 46 H LYS 46 3.074 -10.673 4.514 367 HA LYS 46 HA LYS 46 3.090 -10.442 7.376 368 HB2 LYS 46 1HB LYS 46 2.810 -8.278 5.283 369 HB3 LYS 46 2HB LYS 46 3.204 -8.036 6.980 370 HG2 LYS 46 1HG LYS 46 5.356 -8.736 6.727 371 HG3 LYS 46 2HG LYS 46 4.965 -9.816 5.386 372 HD2 LYS 46 1HD LYS 46 4.525 -7.721 4.020 373 HD3 LYS 46 2HD LYS 46 5.284 -6.824 5.337 374 HE2 LYS 46 1HE LYS 46 6.713 -9.169 4.180 375 HE3 LYS 46 2HE LYS 46 6.683 -7.660 3.269 376 HZ1 LYS 46 1HZ LYS 46 7.594 -7.893 6.084 377 HZ2 LYS 46 2HZ LYS 46 7.688 -6.522 5.099 378 HZ3 LYS 46 3HZ LYS 46 8.628 -7.883 4.745 379 H THR 47 H THR 47 0.767 -9.819 4.788 380 HA THR 47 HA THR 47 -1.242 -8.844 6.619 381 HB THR 47 HB THR 47 -2.724 -8.814 4.626 382 HG1 THR 47 1HG THR 47 -0.405 -9.692 3.218 383 HG21 THR 47 1HG2 THR 47 -0.156 -7.558 3.761 384 HG22 THR 47 2HG2 THR 47 -0.914 -7.022 5.260 385 HG23 THR 47 3HG2 THR 47 -1.793 -6.902 3.736 386 H ASN 48 H ASN 48 -0.243 -11.880 5.382 387 HA ASN 48 HA ASN 48 -0.955 -14.000 5.826 388 HB2 ASN 48 1HB ASN 48 -1.635 -12.773 8.067 389 HB3 ASN 48 2HB ASN 48 -3.266 -13.035 7.458 390 HD21 ASN 48 1HD2 ASN 48 -3.942 -15.203 7.044 391 HD22 ASN 48 2HD2 ASN 48 -3.229 -16.515 7.912 392 H LEU 49 H LEU 49 -2.012 -12.317 3.652 393 HA LEU 49 HA LEU 49 -4.656 -13.538 3.253 394 HB2 LEU 49 1HB LEU 49 -3.450 -11.374 1.560 395 HB3 LEU 49 2HB LEU 49 -5.145 -11.835 1.707 396 HG LEU 49 HG LEU 49 -3.648 -10.655 4.025 397 HD11 LEU 49 1HD1 LEU 49 -4.860 -8.501 3.224 398 HD12 LEU 49 2HD1 LEU 49 -4.790 -9.269 1.639 399 HD13 LEU 49 3HD1 LEU 49 -3.301 -8.939 2.525 400 HD21 LEU 49 1HD2 LEU 49 -6.195 -11.719 3.706 401 HD22 LEU 49 2HD2 LEU 49 -6.435 -9.972 3.675 402 HD23 LEU 49 3HD2 LEU 49 -5.622 -10.726 5.047 403 H SER 50 H SER 50 -4.952 -13.604 0.609 404 HA SER 50 HA SER 50 -2.789 -15.385 -0.308 405 HB2 SER 50 1HB SER 50 -5.763 -15.560 -0.538 406 HB3 SER 50 2HB SER 50 -4.780 -16.234 -1.837 407 HG SER 50 HG SER 50 -4.605 -16.891 0.920 408 H LEU 51 H LEU 51 -1.903 -15.066 -2.286 409 HA LEU 51 HA LEU 51 -1.641 -12.703 -3.489 410 HB2 LEU 51 1HB LEU 51 -1.781 -15.426 -4.736 411 HB3 LEU 51 2HB LEU 51 -1.433 -13.995 -5.703 412 HG LEU 51 HG LEU 51 0.488 -13.604 -4.016 413 HD11 LEU 51 1HD1 LEU 51 -0.388 -16.379 -3.371 414 HD12 LEU 51 2HD1 LEU 51 0.186 -15.099 -2.302 415 HD13 LEU 51 3HD1 LEU 51 1.329 -15.978 -3.317 416 HD21 LEU 51 1HD2 LEU 51 1.962 -15.097 -5.323 417 HD22 LEU 51 2HD2 LEU 51 0.870 -14.151 -6.334 418 HD23 LEU 51 3HD2 LEU 51 0.531 -15.854 -6.024 419 H LEU 52 H LEU 52 -4.296 -14.953 -4.161 420 HA LEU 52 HA LEU 52 -5.543 -13.557 -6.215 421 HB2 LEU 52 1HB LEU 52 -6.340 -15.705 -5.814 422 HB3 LEU 52 2HB LEU 52 -6.541 -15.410 -4.088 423 HG LEU 52 HG LEU 52 -8.483 -13.983 -4.573 424 HD11 LEU 52 1HD1 LEU 52 -7.972 -13.145 -6.739 425 HD12 LEU 52 2HD1 LEU 52 -9.444 -14.104 -6.882 426 HD13 LEU 52 3HD1 LEU 52 -7.902 -14.770 -7.420 427 HD21 LEU 52 1HD2 LEU 52 -8.595 -16.507 -4.221 428 HD22 LEU 52 2HD2 LEU 52 -8.851 -16.620 -5.963 429 HD23 LEU 52 3HD2 LEU 52 -9.997 -15.731 -4.958 430 H GLN 53 H GLN 53 -5.987 -13.260 -2.706 431 HA GLN 53 HA GLN 53 -7.956 -11.200 -2.922 432 HB2 GLN 53 1HB GLN 53 -6.315 -12.265 -0.631 433 HB3 GLN 53 2HB GLN 53 -7.420 -10.911 -0.436 434 HG2 GLN 53 1HG GLN 53 -9.212 -12.444 -1.387 435 HG3 GLN 53 2HG GLN 53 -8.061 -13.755 -1.134 436 HE21 GLN 53 1HE2 GLN 53 -7.300 -14.120 1.038 437 HE22 GLN 53 2HE2 GLN 53 -8.321 -13.733 2.377 438 H ILE 54 H ILE 54 -4.474 -11.295 -2.629 439 HA ILE 54 HA ILE 54 -3.973 -8.674 -1.817 440 HB ILE 54 HB ILE 54 -2.332 -10.415 -3.659 441 HG12 ILE 54 1HG1 ILE 54 -2.762 -11.377 -1.420 442 HG13 ILE 54 2HG1 ILE 54 -1.064 -10.977 -1.655 443 HG21 ILE 54 1HG2 ILE 54 -1.715 -7.818 -2.284 444 HG22 ILE 54 2HG2 ILE 54 -0.450 -8.933 -2.797 445 HG23 ILE 54 3HG2 ILE 54 -1.541 -8.228 -3.990 446 HD11 ILE 54 1HD1 ILE 54 -3.100 -9.604 0.049 447 HD12 ILE 54 2HD1 ILE 54 -1.521 -10.250 0.498 448 HD13 ILE 54 3HD1 ILE 54 -1.630 -8.778 -0.467 449 H SER 55 H SER 55 -3.553 -9.838 -5.160 450 HA SER 55 HA SER 55 -3.441 -7.367 -6.384 451 HB2 SER 55 1HB SER 55 -4.131 -10.115 -7.292 452 HB3 SER 55 2HB SER 55 -4.550 -8.784 -8.370 453 HG SER 55 HG SER 55 -2.000 -8.751 -7.264 454 H ASN 56 H ASN 56 -6.314 -9.428 -5.950 455 HA ASN 56 HA ASN 56 -8.244 -7.967 -7.177 456 HB2 ASN 56 1HB ASN 56 -8.267 -9.597 -4.665 457 HB3 ASN 56 2HB ASN 56 -9.716 -8.707 -5.126 458 HD21 ASN 56 1HD2 ASN 56 -9.779 -11.416 -4.946 459 HD22 ASN 56 2HD2 ASN 56 -9.929 -12.111 -6.521 460 H TRP 57 H TRP 57 -6.779 -7.290 -4.043 461 HA TRP 57 HA TRP 57 -8.514 -5.152 -3.352 462 HB2 TRP 57 1HB TRP 57 -7.296 -6.210 -1.592 463 HB3 TRP 57 2HB TRP 57 -5.756 -5.929 -2.401 464 HD1 TRP 57 HD TRP 57 -8.441 -4.101 -0.362 465 HE1 TRP 57 1HE TRP 57 -7.432 -1.911 0.539 466 HE3 TRP 57 3HE TRP 57 -3.965 -4.193 -2.830 467 HZ2 TRP 57 2HZ TRP 57 -5.054 -0.420 0.243 468 HZ3 TRP 57 3HZ TRP 57 -2.380 -2.347 -2.467 469 HH2 TRP 57 HH TRP 57 -2.915 -0.500 -0.962 470 H PHE 58 H PHE 58 -5.220 -5.220 -4.703 471 HA PHE 58 HA PHE 58 -4.773 -2.503 -4.910 472 HB2 PHE 58 1HB PHE 58 -3.828 -4.863 -6.496 473 HB3 PHE 58 2HB PHE 58 -3.411 -3.238 -7.030 474 HD1 PHE 58 2HD PHE 58 -1.992 -1.801 -5.644 475 HD2 PHE 58 1HD PHE 58 -2.834 -5.828 -4.554 476 HE1 PHE 58 2HE PHE 58 -0.114 -1.760 -4.054 477 HE2 PHE 58 1HE PHE 58 -0.958 -5.793 -2.962 478 HZ PHE 58 HZ PHE 58 0.405 -3.758 -2.711 479 H ILE 59 H ILE 59 -6.744 -4.580 -6.909 480 HA ILE 59 HA ILE 59 -7.048 -3.040 -9.188 481 HB ILE 59 HB ILE 59 -9.182 -4.682 -7.818 482 HG12 ILE 59 1HG1 ILE 59 -7.200 -5.436 -9.977 483 HG13 ILE 59 2HG1 ILE 59 -7.122 -5.950 -8.295 484 HG21 ILE 59 1HG2 ILE 59 -10.088 -4.877 -10.149 485 HG22 ILE 59 2HG2 ILE 59 -10.223 -3.275 -9.427 486 HG23 ILE 59 3HG2 ILE 59 -8.965 -3.601 -10.619 487 HD11 ILE 59 1HD1 ILE 59 -8.022 -7.753 -9.510 488 HD12 ILE 59 2HD1 ILE 59 -9.376 -7.018 -8.649 489 HD13 ILE 59 3HD1 ILE 59 -9.152 -6.707 -10.371 490 H ASN 60 H ASN 60 -9.553 -3.165 -6.660 491 HA ASN 60 HA ASN 60 -10.685 -0.684 -7.447 492 HB2 ASN 60 1HB ASN 60 -11.135 -2.647 -5.257 493 HB3 ASN 60 2HB ASN 60 -11.746 -1.013 -5.011 494 HD21 ASN 60 1HD2 ASN 60 -13.516 -3.020 -5.086 495 HD22 ASN 60 2HD2 ASN 60 -14.425 -2.985 -6.554 496 H ALA 61 H ALA 61 -8.483 -1.649 -4.863 497 HA ALA 61 HA ALA 61 -8.437 0.675 -3.356 498 HB1 ALA 61 1HB ALA 61 -7.307 -1.198 -2.495 499 HB2 ALA 61 2HB ALA 61 -6.299 -1.355 -3.934 500 HB3 ALA 61 3HB ALA 61 -6.047 -0.007 -2.825 501 H ARG 62 H ARG 62 -6.431 -0.159 -6.176 502 HA ARG 62 HA ARG 62 -4.915 2.191 -6.242 503 HB2 ARG 62 1HB ARG 62 -4.383 0.153 -7.536 504 HB3 ARG 62 2HB ARG 62 -5.768 0.466 -8.574 505 HG2 ARG 62 1HG ARG 62 -4.740 2.571 -9.296 506 HG3 ARG 62 2HG ARG 62 -3.343 2.226 -8.274 507 HD2 ARG 62 1HD ARG 62 -2.650 0.452 -9.607 508 HD3 ARG 62 2HD ARG 62 -4.242 0.254 -10.337 509 HE ARG 62 HE ARG 62 -2.143 1.933 -11.261 510 HH11 ARG 62 2HH1 ARG 62 -5.607 1.702 -11.007 511 HH12 ARG 62 1HH1 ARG 62 -5.906 2.717 -12.379 512 HH21 ARG 62 2HH2 ARG 62 -2.523 3.271 -13.068 513 HH22 ARG 62 1HH2 ARG 62 -4.151 3.608 -13.551 514 H ARG 63 H ARG 63 -8.204 1.811 -6.702 515 HA ARG 63 HA ARG 63 -8.409 4.161 -8.452 516 HB2 ARG 63 1HB ARG 63 -10.472 2.099 -7.655 517 HB3 ARG 63 2HB ARG 63 -10.809 3.506 -8.655 518 HG2 ARG 63 1HG ARG 63 -9.399 2.703 -10.397 519 HG3 ARG 63 2HG ARG 63 -8.785 1.402 -9.374 520 HD2 ARG 63 1HD ARG 63 -11.309 0.732 -9.228 521 HD3 ARG 63 2HD ARG 63 -11.443 1.683 -10.706 522 HE ARG 63 HE ARG 63 -10.362 -0.922 -10.468 523 HH11 ARG 63 2HH1 ARG 63 -9.898 2.099 -12.135 524 HH12 ARG 63 1HH1 ARG 63 -9.150 1.371 -13.518 525 HH21 ARG 63 2HH2 ARG 63 -9.378 -1.892 -12.283 526 HH22 ARG 63 1HH2 ARG 63 -8.856 -0.899 -13.601 527 H ARG 64 H ARG 64 -8.833 3.094 -5.219 528 HA ARG 64 HA ARG 64 -10.064 5.681 -4.535 529 HB2 ARG 64 1HB ARG 64 -11.523 3.561 -4.281 530 HB3 ARG 64 2HB ARG 64 -10.496 3.196 -2.901 531 HG2 ARG 64 1HG ARG 64 -11.106 5.406 -1.939 532 HG3 ARG 64 2HG ARG 64 -12.248 5.614 -3.269 533 HD2 ARG 64 1HD ARG 64 -13.398 3.552 -2.574 534 HD3 ARG 64 2HD ARG 64 -12.277 3.398 -1.222 535 HE ARG 64 HE ARG 64 -13.517 4.940 -0.090 536 HH11 ARG 64 2HH1 ARG 64 -14.215 5.229 -3.488 537 HH12 ARG 64 1HH1 ARG 64 -15.475 6.396 -3.263 538 HH21 ARG 64 2HH2 ARG 64 -15.174 6.477 0.220 539 HH22 ARG 64 1HH2 ARG 64 -16.020 7.106 -1.154 540 H ILE 65 H ILE 65 -7.248 4.317 -4.545 541 HA ILE 65 HA ILE 65 -6.493 5.366 -1.904 542 HB ILE 65 HB ILE 65 -5.448 2.822 -3.152 543 HG12 ILE 65 1HG1 ILE 65 -7.222 3.434 -0.806 544 HG13 ILE 65 2HG1 ILE 65 -7.467 2.269 -2.102 545 HG21 ILE 65 1HG2 ILE 65 -3.717 4.251 -2.030 546 HG22 ILE 65 2HG2 ILE 65 -4.621 4.047 -0.530 547 HG23 ILE 65 3HG2 ILE 65 -3.922 2.643 -1.336 548 HD11 ILE 65 1HD1 ILE 65 -5.596 2.059 0.235 549 HD12 ILE 65 2HD1 ILE 65 -6.986 1.042 -0.145 550 HD13 ILE 65 3HD1 ILE 65 -5.540 0.972 -1.152 551 H LEU 66 H LEU 66 -4.978 4.078 -4.870 552 HA LEU 66 HA LEU 66 -2.612 5.439 -4.811 553 HB2 LEU 66 1HB LEU 66 -2.852 3.880 -6.519 554 HB3 LEU 66 2HB LEU 66 -4.368 4.583 -7.077 555 HG LEU 66 HG LEU 66 -3.175 6.449 -8.064 556 HD11 LEU 66 1HD1 LEU 66 -1.316 6.957 -6.853 557 HD12 LEU 66 2HD1 LEU 66 -0.564 6.023 -8.145 558 HD13 LEU 66 3HD1 LEU 66 -0.889 5.267 -6.586 559 HD21 LEU 66 1HD2 LEU 66 -2.409 5.333 -9.920 560 HD22 LEU 66 2HD2 LEU 66 -3.381 4.078 -9.152 561 HD23 LEU 66 3HD2 LEU 66 -1.626 4.068 -8.973 562 HA PRO 67 HA PRO 67 -4.678 9.203 -7.061 563 HB2 PRO 67 1HB PRO 67 -7.388 9.325 -6.977 564 HB3 PRO 67 2HB PRO 67 -6.502 8.525 -8.281 565 HG2 PRO 67 1HG PRO 67 -7.828 7.328 -5.879 566 HG3 PRO 67 2HG PRO 67 -7.840 6.765 -7.561 567 HD2 PRO 67 1HD PRO 67 -6.235 5.676 -5.672 568 HD3 PRO 67 2HD PRO 67 -5.762 5.784 -7.380 569 H ASP 68 H ASP 68 -5.482 7.869 -4.050 570 HA ASP 68 HA ASP 68 -6.401 10.411 -2.938 571 HB2 ASP 68 1HB ASP 68 -7.356 8.007 -2.419 572 HB3 ASP 68 2HB ASP 68 -6.017 7.954 -1.276 573 H MET 69 H MET 69 -3.653 8.257 -2.926 574 HA MET 69 HA MET 69 -2.312 9.839 -0.869 575 HB2 MET 69 1HB MET 69 -0.534 8.110 -1.045 576 HB3 MET 69 2HB MET 69 -2.108 7.449 -0.625 577 HG2 MET 69 1HG MET 69 -2.438 6.729 -2.922 578 HG3 MET 69 2HG MET 69 -0.883 7.426 -3.373 579 HE1 MET 69 1HE MET 69 -1.610 3.887 -0.596 580 HE2 MET 69 2HE MET 69 -0.980 5.321 0.214 581 HE3 MET 69 3HE MET 69 -2.500 5.407 -0.677 582 H LEU 70 H LEU 70 -2.042 8.998 -4.285 583 HA LEU 70 HA LEU 70 0.426 10.214 -4.811 584 HB2 LEU 70 1HB LEU 70 -0.365 8.814 -6.485 585 HB3 LEU 70 2HB LEU 70 -1.967 9.549 -6.477 586 HG LEU 70 HG LEU 70 -0.909 11.595 -7.503 587 HD11 LEU 70 1HD1 LEU 70 1.314 11.683 -7.472 588 HD12 LEU 70 2HD1 LEU 70 1.283 10.500 -8.779 589 HD13 LEU 70 3HD1 LEU 70 1.455 9.963 -7.108 590 HD21 LEU 70 1HD2 LEU 70 -0.362 9.485 -9.456 591 HD22 LEU 70 2HD2 LEU 70 -1.518 10.816 -9.513 592 HD23 LEU 70 3HD2 LEU 70 -1.921 9.333 -8.645 593 H GLN 71 H GLN 71 -2.772 11.543 -4.441 594 HA GLN 71 HA GLN 71 -2.587 13.969 -5.719 595 HB2 GLN 71 1HB GLN 71 -4.025 13.005 -3.302 596 HB3 GLN 71 2HB GLN 71 -3.955 14.744 -3.556 597 HG2 GLN 71 1HG GLN 71 -4.990 12.743 -5.552 598 HG3 GLN 71 2HG GLN 71 -5.987 13.722 -4.478 599 HE21 GLN 71 1HE2 GLN 71 -6.783 14.175 -6.791 600 HE22 GLN 71 2HE2 GLN 71 -6.106 15.571 -7.549 601 H GLN 72 H GLN 72 -1.957 16.067 -5.084 602 HA GLN 72 HA GLN 72 0.549 16.322 -3.955 603 HB2 GLN 72 1HB GLN 72 -0.526 18.044 -5.354 604 HB3 GLN 72 2HB GLN 72 -1.627 18.420 -4.035 605 HG2 GLN 72 1HG GLN 72 0.310 19.075 -2.653 606 HG3 GLN 72 2HG GLN 72 1.360 18.785 -4.039 607 HE21 GLN 72 1HE2 GLN 72 1.259 20.177 -5.812 608 HE22 GLN 72 2HE2 GLN 72 0.545 21.746 -5.700 609 H ARG 73 H ARG 73 1.322 16.301 -1.949 610 HA ARG 73 HA ARG 73 -0.410 17.028 0.287 611 HB2 ARG 73 1HB ARG 73 1.017 14.380 0.021 612 HB3 ARG 73 2HB ARG 73 0.404 14.999 1.549 613 HG2 ARG 73 1HG ARG 73 -1.426 14.759 -0.796 614 HG3 ARG 73 2HG ARG 73 -1.017 13.333 0.161 615 HD2 ARG 73 1HD ARG 73 -2.121 15.890 1.312 616 HD3 ARG 73 2HD ARG 73 -3.106 14.494 0.879 617 HE ARG 73 HE ARG 73 -1.015 13.727 2.625 618 HH11 ARG 73 2HH1 ARG 73 -4.072 15.393 2.573 619 HH12 ARG 73 1HH1 ARG 73 -4.447 15.027 4.224 620 HH21 ARG 73 2HH2 ARG 73 -1.498 13.239 4.800 621 HH22 ARG 73 1HH2 ARG 73 -2.982 13.803 5.490 622 H ARG 74 H ARG 74 1.108 16.607 2.405 623 HA ARG 74 HA ARG 74 3.541 18.157 1.839 624 HB2 ARG 74 1HB ARG 74 1.834 17.921 4.315 625 HB3 ARG 74 2HB ARG 74 3.419 18.683 4.321 626 HG2 ARG 74 1HG ARG 74 1.421 19.614 2.330 627 HG3 ARG 74 2HG ARG 74 1.212 20.083 4.018 628 HD2 ARG 74 1HD ARG 74 3.186 21.291 4.063 629 HD3 ARG 74 2HD ARG 74 3.872 20.412 2.697 630 HE ARG 74 HE ARG 74 2.380 22.803 2.570 631 HH11 ARG 74 2HH1 ARG 74 2.783 19.759 0.928 632 HH12 ARG 74 1HH1 ARG 74 2.303 20.380 -0.616 633 HH21 ARG 74 2HH2 ARG 74 1.745 23.632 0.542 634 HH22 ARG 74 1HH2 ARG 74 1.713 22.583 -0.835 635 H ASN 75 H ASN 75 4.955 16.484 1.369 636 HA ASN 75 HA ASN 75 6.116 15.175 3.632 637 HB2 ASN 75 1HB ASN 75 4.147 13.694 3.028 638 HB3 ASN 75 2HB ASN 75 4.970 13.360 1.507 639 HD21 ASN 75 1HD2 ASN 75 5.890 13.550 4.933 640 HD22 ASN 75 2HD2 ASN 75 6.728 12.040 4.965 641 H ASP 76 H ASP 76 7.920 13.634 2.849 642 HA ASP 76 HA ASP 76 9.285 14.977 0.623 643 HB2 ASP 76 1HB ASP 76 11.301 13.673 1.663 644 HB3 ASP 76 2HB ASP 76 10.704 15.130 2.452 645 HA PRO 77 HA PRO 77 8.216 11.076 -1.447 646 HB2 PRO 77 1HB PRO 77 8.477 12.097 -3.950 647 HB3 PRO 77 2HB PRO 77 7.015 12.300 -2.977 648 HG2 PRO 77 1HG PRO 77 9.277 14.211 -3.420 649 HG3 PRO 77 2HG PRO 77 7.532 14.527 -3.403 650 HD2 PRO 77 1HD PRO 77 9.132 15.068 -1.286 651 HD3 PRO 77 2HD PRO 77 7.436 14.575 -1.100 652 H SER 78 H SER 78 9.829 9.639 -1.388 653 HA SER 78 HA SER 78 12.513 10.388 -2.219 654 HB2 SER 78 1HB SER 78 11.913 8.961 -0.148 655 HB3 SER 78 2HB SER 78 11.684 7.643 -1.298 656 HG SER 78 HG SER 78 14.009 8.968 -1.740 657 H GLY 79 H GLY 79 12.765 10.435 -4.376 658 HA2 GLY 79 1HA GLY 79 12.944 8.093 -5.880 659 HA3 GLY 79 2HA GLY 79 11.364 8.792 -6.204 660 HA PRO 80 HA PRO 80 15.079 11.225 -8.205 661 HB2 PRO 80 1HB PRO 80 16.198 9.529 -10.005 662 HB3 PRO 80 2HB PRO 80 16.806 9.717 -8.356 663 HG2 PRO 80 1HG PRO 80 15.025 7.593 -9.488 664 HG3 PRO 80 2HG PRO 80 16.400 7.427 -8.380 665 HD2 PRO 80 1HD PRO 80 13.829 7.380 -7.530 666 HD3 PRO 80 2HD PRO 80 15.151 8.032 -6.539 667 H SER 81 H SER 81 13.208 8.654 -9.795 668 HA SER 81 HA SER 81 11.734 8.707 -11.531 669 HB2 SER 81 1HB SER 81 10.907 10.785 -10.348 670 HB3 SER 81 2HB SER 81 11.932 11.723 -11.433 671 HG SER 81 HG SER 81 10.759 10.760 -13.183 672 H SER 82 H SER 82 14.476 8.422 -12.037 673 HA SER 82 HA SER 82 14.749 9.783 -14.637 674 HB2 SER 82 1HB SER 82 17.201 9.516 -14.370 675 HB3 SER 82 2HB SER 82 16.493 10.504 -13.091 676 HG SER 82 HG SER 82 17.558 7.919 -12.971 677 H GLY 83 H GLY 83 14.770 8.530 -16.389 678 HA2 GLY 83 1HA GLY 83 15.980 6.380 -17.186 679 HA3 GLY 83 2HA GLY 83 14.934 5.621 -15.995 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.539 -20.716 -9.346 2 HA2 GLY 1 1HA GLY 1 -1.601 -19.263 -7.925 3 HA3 GLY 1 2HA GLY 1 -1.063 -18.897 -9.557 4 H SER 2 H SER 2 -3.611 -19.086 -9.517 5 HA SER 2 HA SER 2 -4.215 -21.463 -10.996 6 HB2 SER 2 1HB SER 2 -4.494 -22.389 -8.763 7 HB3 SER 2 2HB SER 2 -5.547 -21.050 -8.308 8 HG SER 2 HG SER 2 -7.139 -22.108 -9.154 9 H SER 3 H SER 3 -6.284 -21.371 -12.031 10 HA SER 3 HA SER 3 -7.547 -18.711 -11.935 11 HB2 SER 3 1HB SER 3 -6.081 -19.146 -13.976 12 HB3 SER 3 2HB SER 3 -7.275 -20.353 -14.454 13 HG SER 3 HG SER 3 -7.444 -17.584 -14.445 14 H GLY 4 H GLY 4 -9.591 -18.838 -11.307 15 HA2 GLY 4 1HA GLY 4 -11.646 -20.190 -12.447 16 HA3 GLY 4 2HA GLY 4 -10.991 -21.363 -11.314 17 H SER 5 H SER 5 -12.822 -18.463 -11.696 18 HA SER 5 HA SER 5 -13.234 -18.333 -8.781 19 HB2 SER 5 1HB SER 5 -13.531 -16.188 -10.894 20 HB3 SER 5 2HB SER 5 -14.033 -15.991 -9.215 21 HG SER 5 HG SER 5 -11.401 -16.605 -10.085 22 H SER 6 H SER 6 -15.466 -17.457 -8.198 23 HA SER 6 HA SER 6 -17.446 -18.995 -9.720 24 HB2 SER 6 1HB SER 6 -18.834 -18.849 -7.682 25 HB3 SER 6 2HB SER 6 -17.256 -19.561 -7.345 26 HG SER 6 HG SER 6 -18.320 -17.553 -6.109 27 H GLY 7 H GLY 7 -16.884 -15.797 -8.308 28 HA2 GLY 7 1HA GLY 7 -18.066 -14.330 -10.322 29 HA3 GLY 7 2HA GLY 7 -19.362 -14.693 -9.193 30 H LYS 8 H LYS 8 -17.886 -12.165 -9.987 31 HA LYS 8 HA LYS 8 -16.579 -11.342 -7.545 32 HB2 LYS 8 1HB LYS 8 -16.211 -9.233 -8.661 33 HB3 LYS 8 2HB LYS 8 -15.835 -10.540 -9.775 34 HG2 LYS 8 1HG LYS 8 -18.342 -10.176 -10.505 35 HG3 LYS 8 2HG LYS 8 -18.053 -8.568 -9.838 36 HD2 LYS 8 1HD LYS 8 -16.334 -8.121 -11.370 37 HD3 LYS 8 2HD LYS 8 -16.155 -9.824 -11.798 38 HE2 LYS 8 1HE LYS 8 -18.230 -9.820 -12.976 39 HE3 LYS 8 2HE LYS 8 -18.637 -8.216 -12.369 40 HZ1 LYS 8 1HZ LYS 8 -17.819 -8.244 -14.692 41 HZ2 LYS 8 2HZ LYS 8 -16.316 -8.779 -14.130 42 HZ3 LYS 8 3HZ LYS 8 -16.900 -7.260 -13.667 43 H LYS 9 H LYS 9 -19.104 -12.160 -6.920 44 HA LYS 9 HA LYS 9 -20.747 -9.754 -6.667 45 HB2 LYS 9 1HB LYS 9 -21.240 -12.680 -6.459 46 HB3 LYS 9 2HB LYS 9 -22.252 -11.621 -5.486 47 HG2 LYS 9 1HG LYS 9 -21.883 -11.256 -8.445 48 HG3 LYS 9 2HG LYS 9 -23.159 -12.256 -7.746 49 HD2 LYS 9 1HD LYS 9 -22.828 -9.459 -6.769 50 HD3 LYS 9 2HD LYS 9 -23.583 -9.726 -8.343 51 HE2 LYS 9 1HE LYS 9 -24.473 -11.106 -5.818 52 HE3 LYS 9 2HE LYS 9 -25.161 -9.585 -6.384 53 HZ1 LYS 9 1HZ LYS 9 -26.505 -11.439 -7.100 54 HZ2 LYS 9 2HZ LYS 9 -25.178 -12.165 -7.855 55 HZ3 LYS 9 3HZ LYS 9 -25.793 -10.705 -8.447 56 H ARG 10 H ARG 10 -19.155 -12.206 -4.670 57 HA ARG 10 HA ARG 10 -19.989 -11.371 -2.162 58 HB2 ARG 10 1HB ARG 10 -17.970 -12.447 -1.291 59 HB3 ARG 10 2HB ARG 10 -18.724 -13.433 -2.537 60 HG2 ARG 10 1HG ARG 10 -17.071 -12.788 -4.141 61 HG3 ARG 10 2HG ARG 10 -16.387 -11.602 -3.026 62 HD2 ARG 10 1HD ARG 10 -14.972 -13.519 -2.992 63 HD3 ARG 10 2HD ARG 10 -15.865 -13.491 -1.472 64 HE ARG 10 HE ARG 10 -17.095 -15.089 -3.525 65 HH11 ARG 10 2HH1 ARG 10 -14.786 -15.036 -0.920 66 HH12 ARG 10 1HH1 ARG 10 -14.866 -16.744 -0.640 67 HH21 ARG 10 2HH2 ARG 10 -17.210 -17.339 -3.166 68 HH22 ARG 10 1HH2 ARG 10 -16.245 -18.053 -1.919 69 H LYS 11 H LYS 11 -18.038 -10.584 -0.560 70 HA LYS 11 HA LYS 11 -17.436 -7.878 -1.512 71 HB2 LYS 11 1HB LYS 11 -17.106 -7.334 0.872 72 HB3 LYS 11 2HB LYS 11 -18.705 -7.997 0.557 73 HG2 LYS 11 1HG LYS 11 -16.588 -9.902 1.366 74 HG3 LYS 11 2HG LYS 11 -17.195 -8.788 2.594 75 HD2 LYS 11 1HD LYS 11 -19.529 -9.589 1.590 76 HD3 LYS 11 2HD LYS 11 -18.568 -11.015 1.194 77 HE2 LYS 11 1HE LYS 11 -19.389 -11.525 3.300 78 HE3 LYS 11 2HE LYS 11 -17.790 -10.875 3.658 79 HZ1 LYS 11 1HZ LYS 11 -20.316 -9.934 4.504 80 HZ2 LYS 11 2HZ LYS 11 -19.525 -8.720 3.633 81 HZ3 LYS 11 3HZ LYS 11 -18.777 -9.418 4.980 82 H GLY 12 H GLY 12 -15.380 -7.010 -1.460 83 HA2 GLY 12 1HA GLY 12 -13.195 -8.863 -0.754 84 HA3 GLY 12 2HA GLY 12 -13.180 -7.990 -2.279 85 H ASN 13 H ASN 13 -12.938 -7.685 1.208 86 HA ASN 13 HA ASN 13 -11.420 -5.209 0.819 87 HB2 ASN 13 1HB ASN 13 -13.715 -5.581 2.749 88 HB3 ASN 13 2HB ASN 13 -12.544 -4.272 2.882 89 HD21 ASN 13 1HD2 ASN 13 -12.220 -3.100 0.698 90 HD22 ASN 13 2HD2 ASN 13 -13.678 -2.655 -0.116 91 H LEU 14 H LEU 14 -9.814 -4.826 2.355 92 HA LEU 14 HA LEU 14 -9.211 -7.129 4.088 93 HB2 LEU 14 1HB LEU 14 -7.260 -5.092 3.036 94 HB3 LEU 14 2HB LEU 14 -6.890 -6.606 3.859 95 HG LEU 14 HG LEU 14 -8.245 -6.507 1.174 96 HD11 LEU 14 1HD1 LEU 14 -5.441 -7.273 1.180 97 HD12 LEU 14 2HD1 LEU 14 -5.692 -5.591 1.647 98 HD13 LEU 14 3HD1 LEU 14 -6.317 -6.181 0.107 99 HD21 LEU 14 1HD2 LEU 14 -7.496 -8.575 3.039 100 HD22 LEU 14 2HD2 LEU 14 -6.692 -8.802 1.485 101 HD23 LEU 14 3HD2 LEU 14 -8.451 -8.686 1.560 102 HA PRO 15 HA PRO 15 -9.503 -4.600 7.667 103 HB2 PRO 15 1HB PRO 15 -7.681 -5.804 9.279 104 HB3 PRO 15 2HB PRO 15 -9.247 -6.527 8.891 105 HG2 PRO 15 1HG PRO 15 -6.557 -7.081 7.700 106 HG3 PRO 15 2HG PRO 15 -7.828 -8.224 8.174 107 HD2 PRO 15 1HD PRO 15 -7.430 -7.471 5.603 108 HD3 PRO 15 2HD PRO 15 -9.037 -7.874 6.242 109 H ALA 16 H ALA 16 -8.696 -2.675 8.234 110 HA ALA 16 HA ALA 16 -6.745 -1.275 7.085 111 HB1 ALA 16 1HB ALA 16 -6.649 -0.859 9.978 112 HB2 ALA 16 2HB ALA 16 -7.091 0.254 8.683 113 HB3 ALA 16 3HB ALA 16 -8.281 -0.887 9.309 114 H GLU 17 H GLU 17 -6.078 -2.958 10.164 115 HA GLU 17 HA GLU 17 -3.437 -2.651 10.446 116 HB2 GLU 17 1HB GLU 17 -5.139 -4.229 11.686 117 HB3 GLU 17 2HB GLU 17 -4.440 -5.462 10.646 118 HG2 GLU 17 1HG GLU 17 -2.186 -4.756 11.512 119 HG3 GLU 17 2HG GLU 17 -3.042 -3.779 12.703 120 H SER 18 H SER 18 -4.838 -5.206 8.393 121 HA SER 18 HA SER 18 -2.345 -6.049 7.341 122 HB2 SER 18 1HB SER 18 -5.176 -6.445 6.354 123 HB3 SER 18 2HB SER 18 -3.769 -7.212 5.618 124 HG SER 18 HG SER 18 -4.508 -8.661 7.080 125 H VAL 19 H VAL 19 -4.922 -3.982 6.031 126 HA VAL 19 HA VAL 19 -3.960 -3.451 3.526 127 HB VAL 19 HB VAL 19 -5.311 -1.558 5.448 128 HG11 VAL 19 1HG1 VAL 19 -4.123 -0.225 3.826 129 HG12 VAL 19 2HG1 VAL 19 -4.758 -1.207 2.504 130 HG13 VAL 19 3HG1 VAL 19 -5.847 -0.194 3.453 131 HG21 VAL 19 1HG2 VAL 19 -6.486 -2.906 3.034 132 HG22 VAL 19 2HG2 VAL 19 -6.473 -3.674 4.621 133 HG23 VAL 19 3HG2 VAL 19 -7.324 -2.147 4.387 134 H LYS 20 H LYS 20 -3.168 -1.606 6.473 135 HA LYS 20 HA LYS 20 -1.509 0.308 5.607 136 HB2 LYS 20 1HB LYS 20 -1.865 0.023 7.958 137 HB3 LYS 20 2HB LYS 20 -1.076 -1.549 7.947 138 HG2 LYS 20 1HG LYS 20 1.051 -0.609 7.711 139 HG3 LYS 20 2HG LYS 20 0.401 0.952 7.207 140 HD2 LYS 20 1HD LYS 20 -0.648 1.081 9.524 141 HD3 LYS 20 2HD LYS 20 0.393 -0.279 9.952 142 HE2 LYS 20 1HE LYS 20 1.407 2.314 8.799 143 HE3 LYS 20 2HE LYS 20 1.310 1.983 10.528 144 HZ1 LYS 20 1HZ LYS 20 3.031 0.697 8.503 145 HZ2 LYS 20 2HZ LYS 20 2.697 -0.068 9.974 146 HZ3 LYS 20 3HZ LYS 20 3.479 1.432 9.959 147 H ILE 21 H ILE 21 -0.645 -3.112 5.860 148 HA ILE 21 HA ILE 21 2.069 -2.842 5.157 149 HB ILE 21 HB ILE 21 0.166 -5.164 4.912 150 HG12 ILE 21 1HG1 ILE 21 1.992 -5.950 6.687 151 HG13 ILE 21 2HG1 ILE 21 2.175 -4.212 6.898 152 HG21 ILE 21 1HG2 ILE 21 3.089 -5.020 4.219 153 HG22 ILE 21 2HG2 ILE 21 2.255 -6.533 4.567 154 HG23 ILE 21 3HG2 ILE 21 1.753 -5.544 3.195 155 HD11 ILE 21 1HD1 ILE 21 -0.590 -5.203 6.917 156 HD12 ILE 21 2HD1 ILE 21 0.424 -5.723 8.263 157 HD13 ILE 21 3HD1 ILE 21 0.200 -4.004 7.940 158 H LEU 22 H LEU 22 -0.797 -3.583 3.189 159 HA LEU 22 HA LEU 22 0.630 -3.742 0.736 160 HB2 LEU 22 1HB LEU 22 -2.289 -3.324 1.345 161 HB3 LEU 22 2HB LEU 22 -1.650 -3.530 -0.285 162 HG LEU 22 HG LEU 22 -1.538 -5.574 1.933 163 HD11 LEU 22 1HD1 LEU 22 -2.961 -6.717 -0.032 164 HD12 LEU 22 2HD1 LEU 22 -3.433 -5.034 -0.262 165 HD13 LEU 22 3HD1 LEU 22 -3.689 -5.815 1.297 166 HD21 LEU 22 1HD2 LEU 22 -0.088 -5.307 -0.565 167 HD22 LEU 22 2HD2 LEU 22 -1.016 -6.805 -0.489 168 HD23 LEU 22 3HD2 LEU 22 0.160 -6.430 0.772 169 H ARG 23 H ARG 23 -1.532 -1.235 2.063 170 HA ARG 23 HA ARG 23 -1.332 0.650 0.078 171 HB2 ARG 23 1HB ARG 23 -1.754 0.801 3.025 172 HB3 ARG 23 2HB ARG 23 -1.444 2.300 2.159 173 HG2 ARG 23 1HG ARG 23 -3.334 1.702 0.630 174 HG3 ARG 23 2HG ARG 23 -3.699 0.362 1.719 175 HD2 ARG 23 1HD ARG 23 -5.109 2.231 2.274 176 HD3 ARG 23 2HD ARG 23 -3.938 1.989 3.569 177 HE ARG 23 HE ARG 23 -4.080 4.237 1.736 178 HH11 ARG 23 2HH1 ARG 23 -2.267 2.533 4.172 179 HH12 ARG 23 1HH1 ARG 23 -1.274 3.895 4.571 180 HH21 ARG 23 2HH2 ARG 23 -2.778 6.037 2.253 181 HH22 ARG 23 1HH2 ARG 23 -1.566 5.888 3.480 182 H ASP 24 H ASP 24 0.679 0.637 3.028 183 HA ASP 24 HA ASP 24 2.422 2.626 2.529 184 HB2 ASP 24 1HB ASP 24 2.391 0.844 4.431 185 HB3 ASP 24 2HB ASP 24 3.546 -0.013 3.414 186 H TRP 25 H TRP 25 2.554 -0.597 1.080 187 HA TRP 25 HA TRP 25 4.948 -0.046 -0.402 188 HB2 TRP 25 1HB TRP 25 4.505 -2.329 0.200 189 HB3 TRP 25 2HB TRP 25 2.919 -2.280 -0.565 190 HD1 TRP 25 HD TRP 25 6.508 -3.065 -1.270 191 HE1 TRP 25 1HE TRP 25 6.795 -3.699 -3.748 192 HE3 TRP 25 3HE TRP 25 1.921 -1.630 -3.010 193 HZ2 TRP 25 2HZ TRP 25 5.277 -3.603 -6.126 194 HZ3 TRP 25 3HZ TRP 25 1.418 -1.934 -5.399 195 HH2 TRP 25 HH TRP 25 3.062 -2.900 -6.923 196 H MET 26 H MET 26 1.487 -0.040 -1.082 197 HA MET 26 HA MET 26 1.603 0.264 -3.859 198 HB2 MET 26 1HB MET 26 -0.468 -0.251 -2.649 199 HB3 MET 26 2HB MET 26 -0.452 1.351 -1.925 200 HG2 MET 26 1HG MET 26 -0.479 2.205 -4.356 201 HG3 MET 26 2HG MET 26 -0.999 0.569 -4.757 202 HE1 MET 26 1HE MET 26 -3.270 -0.183 -4.790 203 HE2 MET 26 2HE MET 26 -4.640 0.906 -4.574 204 HE3 MET 26 3HE MET 26 -3.392 1.284 -5.762 205 H TYR 27 H TYR 27 2.282 2.488 -1.311 206 HA TYR 27 HA TYR 27 1.905 4.892 -2.794 207 HB2 TYR 27 1HB TYR 27 2.072 4.534 -0.218 208 HB3 TYR 27 2HB TYR 27 3.807 4.664 -0.482 209 HD1 TYR 27 1HD TYR 27 4.391 6.765 -2.131 210 HD2 TYR 27 2HD TYR 27 1.036 6.466 0.469 211 HE1 TYR 27 1HE TYR 27 4.217 9.218 -2.083 212 HE2 TYR 27 2HE TYR 27 0.853 8.918 0.524 213 HH TYR 27 HH TYR 27 3.303 10.971 -0.685 214 H LYS 28 H LYS 28 4.912 3.341 -1.658 215 HA LYS 28 HA LYS 28 6.692 4.867 -3.129 216 HB2 LYS 28 1HB LYS 28 6.832 2.036 -2.118 217 HB3 LYS 28 2HB LYS 28 8.174 2.766 -2.990 218 HG2 LYS 28 1HG LYS 28 8.359 4.503 -1.311 219 HG3 LYS 28 2HG LYS 28 6.961 3.848 -0.454 220 HD2 LYS 28 1HD LYS 28 9.262 2.041 -1.006 221 HD3 LYS 28 2HD LYS 28 9.429 3.247 0.271 222 HE2 LYS 28 1HE LYS 28 6.998 1.513 0.173 223 HE3 LYS 28 2HE LYS 28 8.505 0.866 0.819 224 HZ1 LYS 28 1HZ LYS 28 8.562 2.711 2.395 225 HZ2 LYS 28 2HZ LYS 28 7.153 1.792 2.576 226 HZ3 LYS 28 3HZ LYS 28 7.090 3.290 1.792 227 H HIS 29 H HIS 29 4.833 2.047 -4.095 228 HA HIS 29 HA HIS 29 6.043 2.145 -6.766 229 HB2 HIS 29 1HB HIS 29 4.203 0.055 -5.583 230 HB3 HIS 29 2HB HIS 29 5.035 -0.046 -7.132 231 HD1 HIS 29 1HD HIS 29 7.659 -0.353 -7.030 232 HD2 HIS 29 2HD HIS 29 5.684 -0.718 -3.393 233 HE1 HIS 29 1HE HIS 29 9.306 -1.449 -5.478 234 HE2 HIS 29 2HE HIS 29 8.059 -1.737 -3.308 235 H ARG 30 H ARG 30 3.614 3.619 -5.243 236 HA ARG 30 HA ARG 30 1.247 3.283 -6.506 237 HB2 ARG 30 1HB ARG 30 0.753 5.591 -6.102 238 HB3 ARG 30 2HB ARG 30 1.779 5.028 -4.789 239 HG2 ARG 30 1HG ARG 30 3.725 6.003 -6.117 240 HG3 ARG 30 2HG ARG 30 2.494 6.822 -7.080 241 HD2 ARG 30 1HD ARG 30 1.770 8.111 -5.287 242 HD3 ARG 30 2HD ARG 30 2.459 7.010 -4.094 243 HE ARG 30 HE ARG 30 4.647 7.921 -5.356 244 HH11 ARG 30 2HH1 ARG 30 1.889 9.548 -3.990 245 HH12 ARG 30 1HH1 ARG 30 2.771 10.984 -3.587 246 HH21 ARG 30 2HH2 ARG 30 5.819 9.806 -4.831 247 HH22 ARG 30 1HH2 ARG 30 5.007 11.130 -4.067 248 H PHE 31 H PHE 31 4.168 4.575 -7.904 249 HA PHE 31 HA PHE 31 3.365 5.938 -10.104 250 HB2 PHE 31 1HB PHE 31 5.624 4.061 -9.606 251 HB3 PHE 31 2HB PHE 31 5.334 4.570 -11.266 252 HD1 PHE 31 2HD PHE 31 4.759 6.635 -8.262 253 HD2 PHE 31 1HD PHE 31 7.274 5.863 -11.608 254 HE1 PHE 31 2HE PHE 31 5.974 8.730 -7.828 255 HE2 PHE 31 1HE PHE 31 8.494 7.956 -11.179 256 HZ PHE 31 HZ PHE 31 7.844 9.393 -9.287 257 H LYS 32 H LYS 32 3.427 2.412 -9.767 258 HA LYS 32 HA LYS 32 1.838 2.219 -12.241 259 HB2 LYS 32 1HB LYS 32 2.725 0.019 -12.583 260 HB3 LYS 32 2HB LYS 32 4.077 1.103 -12.282 261 HG2 LYS 32 1HG LYS 32 2.932 -0.315 -9.949 262 HG3 LYS 32 2HG LYS 32 3.854 -1.270 -11.113 263 HD2 LYS 32 1HD LYS 32 4.937 1.303 -10.016 264 HD3 LYS 32 2HD LYS 32 5.105 -0.210 -9.123 265 HE2 LYS 32 1HE LYS 32 6.376 -1.199 -10.856 266 HE3 LYS 32 2HE LYS 32 5.963 0.086 -11.990 267 HZ1 LYS 32 1HZ LYS 32 7.923 0.937 -11.395 268 HZ2 LYS 32 2HZ LYS 32 8.036 -0.005 -9.995 269 HZ3 LYS 32 3HZ LYS 32 7.147 1.434 -9.976 270 H ALA 33 H ALA 33 2.020 1.453 -8.865 271 HA ALA 33 HA ALA 33 0.540 0.543 -7.394 272 HB1 ALA 33 1HB ALA 33 -1.140 2.005 -7.674 273 HB2 ALA 33 2HB ALA 33 -1.098 1.872 -9.433 274 HB3 ALA 33 3HB ALA 33 -1.946 0.657 -8.477 275 H TYR 34 H TYR 34 1.870 -1.358 -8.779 276 HA TYR 34 HA TYR 34 0.015 -3.553 -8.714 277 HB2 TYR 34 1HB TYR 34 1.279 -2.689 -11.312 278 HB3 TYR 34 2HB TYR 34 0.718 -4.336 -11.042 279 HD1 TYR 34 1HD TYR 34 -1.786 -4.390 -9.998 280 HD2 TYR 34 2HD TYR 34 -0.169 -1.301 -12.436 281 HE1 TYR 34 1HE TYR 34 -4.061 -3.728 -10.658 282 HE2 TYR 34 2HE TYR 34 -2.439 -0.629 -13.101 283 HH TYR 34 HH TYR 34 -4.608 -1.119 -12.999 284 HA PRO 35 HA PRO 35 4.025 -4.901 -7.150 285 HB2 PRO 35 1HB PRO 35 3.021 -7.020 -5.782 286 HB3 PRO 35 2HB PRO 35 2.970 -5.365 -5.163 287 HG2 PRO 35 1HG PRO 35 0.821 -6.946 -6.522 288 HG3 PRO 35 2HG PRO 35 0.705 -5.890 -5.102 289 HD2 PRO 35 1HD PRO 35 -0.047 -5.090 -7.577 290 HD3 PRO 35 2HD PRO 35 0.633 -3.972 -6.377 291 H SER 36 H SER 36 5.108 -7.094 -7.158 292 HA SER 36 HA SER 36 4.433 -8.477 -9.664 293 HB2 SER 36 1HB SER 36 6.698 -7.364 -9.425 294 HB3 SER 36 2HB SER 36 7.075 -8.575 -8.200 295 HG SER 36 HG SER 36 6.958 -10.158 -9.725 296 H GLU 37 H GLU 37 4.513 -10.754 -9.768 297 HA GLU 37 HA GLU 37 3.201 -12.213 -7.940 298 HB2 GLU 37 1HB GLU 37 4.208 -12.905 -10.238 299 HB3 GLU 37 2HB GLU 37 5.564 -13.487 -9.282 300 HG2 GLU 37 1HG GLU 37 3.904 -14.838 -7.958 301 HG3 GLU 37 2HG GLU 37 2.706 -14.405 -9.177 302 H GLU 38 H GLU 38 6.506 -11.181 -7.686 303 HA GLU 38 HA GLU 38 7.153 -12.951 -5.506 304 HB2 GLU 38 1HB GLU 38 8.611 -10.524 -6.567 305 HB3 GLU 38 2HB GLU 38 9.249 -11.653 -5.381 306 HG2 GLU 38 1HG GLU 38 9.213 -13.439 -7.005 307 HG3 GLU 38 2HG GLU 38 8.465 -12.376 -8.195 308 H GLU 39 H GLU 39 6.554 -9.461 -5.856 309 HA GLU 39 HA GLU 39 6.832 -8.756 -3.174 310 HB2 GLU 39 1HB GLU 39 5.079 -7.553 -5.321 311 HB3 GLU 39 2HB GLU 39 5.365 -6.810 -3.754 312 HG2 GLU 39 1HG GLU 39 7.691 -6.545 -4.226 313 HG3 GLU 39 2HG GLU 39 7.545 -7.484 -5.711 314 H LYS 40 H LYS 40 3.852 -9.546 -4.960 315 HA LYS 40 HA LYS 40 2.014 -9.311 -2.930 316 HB2 LYS 40 1HB LYS 40 1.736 -11.661 -4.737 317 HB3 LYS 40 2HB LYS 40 0.548 -10.444 -4.286 318 HG2 LYS 40 1HG LYS 40 2.050 -8.851 -5.693 319 HG3 LYS 40 2HG LYS 40 2.644 -10.352 -6.406 320 HD2 LYS 40 1HD LYS 40 0.205 -10.952 -6.798 321 HD3 LYS 40 2HD LYS 40 -0.164 -9.272 -6.403 322 HE2 LYS 40 1HE LYS 40 0.993 -8.460 -8.266 323 HE3 LYS 40 2HE LYS 40 1.873 -9.971 -8.491 324 HZ1 LYS 40 1HZ LYS 40 0.229 -10.825 -9.710 325 HZ2 LYS 40 2HZ LYS 40 -0.335 -9.238 -9.861 326 HZ3 LYS 40 3HZ LYS 40 -0.984 -10.257 -8.677 327 H GLN 41 H GLN 41 3.716 -12.312 -3.846 328 HA GLN 41 HA GLN 41 2.757 -13.943 -1.828 329 HB2 GLN 41 1HB GLN 41 4.265 -14.504 -3.851 330 HB3 GLN 41 2HB GLN 41 5.604 -14.121 -2.777 331 HG2 GLN 41 1HG GLN 41 4.939 -16.557 -2.974 332 HG3 GLN 41 2HG GLN 41 5.119 -15.903 -1.346 333 HE21 GLN 41 1HE2 GLN 41 3.433 -15.964 0.015 334 HE22 GLN 41 2HE2 GLN 41 1.860 -16.552 -0.393 335 H MET 42 H MET 42 5.330 -11.559 -1.737 336 HA MET 42 HA MET 42 6.384 -12.315 0.790 337 HB2 MET 42 1HB MET 42 7.870 -11.032 -0.435 338 HB3 MET 42 2HB MET 42 6.623 -9.919 -0.981 339 HG2 MET 42 1HG MET 42 6.490 -9.051 1.357 340 HG3 MET 42 2HG MET 42 7.894 -10.046 1.739 341 HE1 MET 42 1HE MET 42 6.388 -7.116 -0.030 342 HE2 MET 42 2HE MET 42 7.732 -6.209 -0.723 343 HE3 MET 42 3HE MET 42 7.132 -7.657 -1.535 344 H LEU 43 H LEU 43 4.231 -9.645 -0.183 345 HA LEU 43 HA LEU 43 3.741 -8.658 2.387 346 HB2 LEU 43 1HB LEU 43 1.826 -8.620 0.063 347 HB3 LEU 43 2HB LEU 43 1.850 -7.516 1.437 348 HG LEU 43 HG LEU 43 4.252 -7.644 -0.320 349 HD11 LEU 43 1HD1 LEU 43 3.365 -6.434 -2.048 350 HD12 LEU 43 2HD1 LEU 43 2.032 -5.810 -1.077 351 HD13 LEU 43 3HD1 LEU 43 1.998 -7.476 -1.655 352 HD21 LEU 43 1HD2 LEU 43 4.104 -6.283 1.780 353 HD22 LEU 43 2HD2 LEU 43 2.857 -5.317 0.991 354 HD23 LEU 43 3HD2 LEU 43 4.491 -5.364 0.325 355 H SER 44 H SER 44 1.943 -11.038 0.463 356 HA SER 44 HA SER 44 -0.246 -11.500 2.006 357 HB2 SER 44 1HB SER 44 -0.259 -12.853 0.152 358 HB3 SER 44 2HB SER 44 1.452 -13.255 0.302 359 HG SER 44 HG SER 44 -0.614 -14.228 1.989 360 H GLU 45 H GLU 45 3.049 -12.235 2.790 361 HA GLU 45 HA GLU 45 2.504 -14.094 4.884 362 HB2 GLU 45 1HB GLU 45 4.944 -12.420 4.277 363 HB3 GLU 45 2HB GLU 45 4.878 -13.641 5.541 364 HG2 GLU 45 1HG GLU 45 4.541 -15.380 3.934 365 HG3 GLU 45 2HG GLU 45 4.378 -14.205 2.630 366 H LYS 46 H LYS 46 3.079 -10.612 4.745 367 HA LYS 46 HA LYS 46 2.934 -10.298 7.604 368 HB2 LYS 46 1HB LYS 46 3.037 -8.335 5.316 369 HB3 LYS 46 2HB LYS 46 2.899 -7.830 6.995 370 HG2 LYS 46 1HG LYS 46 5.159 -7.693 6.683 371 HG3 LYS 46 2HG LYS 46 5.013 -9.336 7.312 372 HD2 LYS 46 1HD LYS 46 5.336 -10.296 5.211 373 HD3 LYS 46 2HD LYS 46 4.932 -8.802 4.362 374 HE2 LYS 46 1HE LYS 46 7.298 -8.834 6.172 375 HE3 LYS 46 2HE LYS 46 7.427 -9.612 4.596 376 HZ1 LYS 46 1HZ LYS 46 7.550 -7.652 3.587 377 HZ2 LYS 46 2HZ LYS 46 7.768 -6.956 5.113 378 HZ3 LYS 46 3HZ LYS 46 6.222 -7.027 4.430 379 H THR 47 H THR 47 0.794 -9.808 4.848 380 HA THR 47 HA THR 47 -1.328 -8.767 6.536 381 HB THR 47 HB THR 47 -2.632 -8.564 4.482 382 HG1 THR 47 1HG THR 47 -0.480 -10.058 3.407 383 HG21 THR 47 1HG2 THR 47 -1.052 -7.072 3.194 384 HG22 THR 47 2HG2 THR 47 0.210 -7.573 4.320 385 HG23 THR 47 3HG2 THR 47 -1.208 -6.709 4.913 386 H ASN 48 H ASN 48 -0.268 -11.787 5.310 387 HA ASN 48 HA ASN 48 -1.067 -13.906 5.515 388 HB2 ASN 48 1HB ASN 48 -2.976 -12.597 7.466 389 HB3 ASN 48 2HB ASN 48 -2.779 -14.336 7.268 390 HD21 ASN 48 1HD2 ASN 48 -2.316 -12.574 9.580 391 HD22 ASN 48 2HD2 ASN 48 -0.680 -12.859 10.058 392 H LEU 49 H LEU 49 -2.000 -12.321 3.376 393 HA LEU 49 HA LEU 49 -4.779 -13.234 3.061 394 HB2 LEU 49 1HB LEU 49 -3.324 -11.167 1.424 395 HB3 LEU 49 2HB LEU 49 -5.044 -11.547 1.374 396 HG LEU 49 HG LEU 49 -3.728 -10.442 3.840 397 HD11 LEU 49 1HD1 LEU 49 -3.290 -8.631 2.564 398 HD12 LEU 49 2HD1 LEU 49 -5.000 -8.308 2.844 399 HD13 LEU 49 3HD1 LEU 49 -4.482 -9.066 1.339 400 HD21 LEU 49 1HD2 LEU 49 -5.837 -11.343 4.338 401 HD22 LEU 49 2HD2 LEU 49 -6.549 -10.727 2.846 402 HD23 LEU 49 3HD2 LEU 49 -6.118 -9.613 4.144 403 H SER 50 H SER 50 -5.159 -13.357 0.451 404 HA SER 50 HA SER 50 -3.256 -15.416 -0.439 405 HB2 SER 50 1HB SER 50 -6.135 -14.978 -1.269 406 HB3 SER 50 2HB SER 50 -5.090 -16.282 -1.832 407 HG SER 50 HG SER 50 -5.351 -15.988 0.918 408 H LEU 51 H LEU 51 -2.171 -15.197 -2.309 409 HA LEU 51 HA LEU 51 -1.517 -12.903 -3.499 410 HB2 LEU 51 1HB LEU 51 -2.023 -15.493 -4.957 411 HB3 LEU 51 2HB LEU 51 -1.089 -14.141 -5.594 412 HG LEU 51 HG LEU 51 -0.365 -15.798 -3.178 413 HD11 LEU 51 1HD1 LEU 51 0.653 -17.201 -4.558 414 HD12 LEU 51 2HD1 LEU 51 1.532 -15.872 -5.313 415 HD13 LEU 51 3HD1 LEU 51 -0.055 -16.338 -5.924 416 HD21 LEU 51 1HD2 LEU 51 0.779 -13.941 -2.642 417 HD22 LEU 51 2HD2 LEU 51 0.633 -13.258 -4.262 418 HD23 LEU 51 3HD2 LEU 51 1.876 -14.462 -3.921 419 H LEU 52 H LEU 52 -4.412 -14.773 -4.297 420 HA LEU 52 HA LEU 52 -5.296 -13.217 -6.453 421 HB2 LEU 52 1HB LEU 52 -6.319 -15.304 -6.158 422 HB3 LEU 52 2HB LEU 52 -6.704 -14.973 -4.471 423 HG LEU 52 HG LEU 52 -8.336 -13.236 -5.314 424 HD11 LEU 52 1HD1 LEU 52 -7.714 -14.606 -7.923 425 HD12 LEU 52 2HD1 LEU 52 -7.517 -12.897 -7.536 426 HD13 LEU 52 3HD1 LEU 52 -9.132 -13.596 -7.644 427 HD21 LEU 52 1HD2 LEU 52 -8.789 -16.124 -6.057 428 HD22 LEU 52 2HD2 LEU 52 -10.050 -14.908 -5.853 429 HD23 LEU 52 3HD2 LEU 52 -9.064 -15.396 -4.474 430 H GLN 53 H GLN 53 -6.054 -12.996 -2.988 431 HA GLN 53 HA GLN 53 -7.817 -10.804 -3.207 432 HB2 GLN 53 1HB GLN 53 -6.215 -11.950 -0.934 433 HB3 GLN 53 2HB GLN 53 -7.186 -10.499 -0.724 434 HG2 GLN 53 1HG GLN 53 -9.115 -11.910 -1.674 435 HG3 GLN 53 2HG GLN 53 -8.080 -13.291 -1.313 436 HE21 GLN 53 1HE2 GLN 53 -7.239 -13.381 0.937 437 HE22 GLN 53 2HE2 GLN 53 -8.303 -12.901 2.210 438 H ILE 54 H ILE 54 -4.332 -11.027 -2.723 439 HA ILE 54 HA ILE 54 -3.753 -8.402 -2.055 440 HB ILE 54 HB ILE 54 -2.118 -10.257 -3.789 441 HG12 ILE 54 1HG1 ILE 54 -2.588 -11.249 -1.628 442 HG13 ILE 54 2HG1 ILE 54 -0.909 -10.721 -1.664 443 HG21 ILE 54 1HG2 ILE 54 -1.702 -7.592 -3.482 444 HG22 ILE 54 2HG2 ILE 54 -0.763 -8.244 -2.140 445 HG23 ILE 54 3HG2 ILE 54 -0.430 -8.774 -3.788 446 HD11 ILE 54 1HD1 ILE 54 -1.480 -9.927 0.371 447 HD12 ILE 54 2HD1 ILE 54 -1.994 -8.543 -0.595 448 HD13 ILE 54 3HD1 ILE 54 -3.180 -9.732 -0.056 449 H SER 55 H SER 55 -3.319 -9.730 -5.336 450 HA SER 55 HA SER 55 -3.067 -7.302 -6.647 451 HB2 SER 55 1HB SER 55 -2.683 -9.685 -7.543 452 HB3 SER 55 2HB SER 55 -4.405 -9.682 -7.924 453 HG SER 55 HG SER 55 -2.629 -8.836 -9.497 454 H ASN 56 H ASN 56 -6.000 -9.226 -6.094 455 HA ASN 56 HA ASN 56 -7.836 -7.723 -7.494 456 HB2 ASN 56 1HB ASN 56 -8.083 -9.294 -4.936 457 HB3 ASN 56 2HB ASN 56 -9.473 -8.487 -5.658 458 HD21 ASN 56 1HD2 ASN 56 -9.784 -11.052 -5.409 459 HD22 ASN 56 2HD2 ASN 56 -9.571 -11.898 -6.901 460 H TRP 57 H TRP 57 -6.921 -7.315 -4.074 461 HA TRP 57 HA TRP 57 -8.495 -5.112 -3.492 462 HB2 TRP 57 1HB TRP 57 -7.374 -6.209 -1.702 463 HB3 TRP 57 2HB TRP 57 -5.795 -5.949 -2.437 464 HD1 TRP 57 HD TRP 57 -8.523 -4.099 -0.477 465 HE1 TRP 57 1HE TRP 57 -7.506 -1.951 0.511 466 HE3 TRP 57 3HE TRP 57 -3.949 -4.246 -2.755 467 HZ2 TRP 57 2HZ TRP 57 -5.084 -0.510 0.346 468 HZ3 TRP 57 3HZ TRP 57 -2.340 -2.444 -2.287 469 HH2 TRP 57 HH TRP 57 -2.898 -0.615 -0.769 470 H PHE 58 H PHE 58 -5.228 -5.210 -4.867 471 HA PHE 58 HA PHE 58 -4.705 -2.478 -4.911 472 HB2 PHE 58 1HB PHE 58 -3.737 -4.832 -6.451 473 HB3 PHE 58 2HB PHE 58 -3.388 -3.238 -7.113 474 HD1 PHE 58 2HD PHE 58 -2.061 -1.618 -5.780 475 HD2 PHE 58 1HD PHE 58 -2.579 -5.666 -4.570 476 HE1 PHE 58 2HE PHE 58 -0.144 -1.403 -4.253 477 HE2 PHE 58 1HE PHE 58 -0.663 -5.457 -3.040 478 HZ PHE 58 HZ PHE 58 0.558 -3.324 -2.881 479 H ILE 59 H ILE 59 -6.639 -4.454 -7.058 480 HA ILE 59 HA ILE 59 -6.887 -2.777 -9.251 481 HB ILE 59 HB ILE 59 -9.057 -4.511 -8.065 482 HG12 ILE 59 1HG1 ILE 59 -7.055 -5.197 -10.224 483 HG13 ILE 59 2HG1 ILE 59 -6.875 -5.666 -8.537 484 HG21 ILE 59 1HG2 ILE 59 -9.650 -4.613 -10.597 485 HG22 ILE 59 2HG2 ILE 59 -10.159 -3.227 -9.633 486 HG23 ILE 59 3HG2 ILE 59 -8.745 -3.102 -10.680 487 HD11 ILE 59 1HD1 ILE 59 -9.152 -6.787 -8.797 488 HD12 ILE 59 2HD1 ILE 59 -8.902 -6.592 -10.532 489 HD13 ILE 59 3HD1 ILE 59 -7.765 -7.544 -9.579 490 H ASN 60 H ASN 60 -9.463 -3.097 -6.814 491 HA ASN 60 HA ASN 60 -10.714 -0.676 -7.477 492 HB2 ASN 60 1HB ASN 60 -10.842 -2.083 -4.803 493 HB3 ASN 60 2HB ASN 60 -12.042 -0.989 -5.485 494 HD21 ASN 60 1HD2 ASN 60 -12.393 -3.703 -4.577 495 HD22 ASN 60 2HD2 ASN 60 -12.966 -4.608 -5.933 496 H ALA 61 H ALA 61 -8.402 -1.470 -4.909 497 HA ALA 61 HA ALA 61 -8.372 0.927 -3.533 498 HB1 ALA 61 1HB ALA 61 -5.980 0.336 -2.986 499 HB2 ALA 61 2HB ALA 61 -7.181 -0.907 -2.632 500 HB3 ALA 61 3HB ALA 61 -6.166 -1.046 -4.067 501 H ARG 62 H ARG 62 -6.572 0.026 -6.450 502 HA ARG 62 HA ARG 62 -5.064 2.405 -6.640 503 HB2 ARG 62 1HB ARG 62 -4.544 0.279 -7.837 504 HB3 ARG 62 2HB ARG 62 -5.921 0.579 -8.890 505 HG2 ARG 62 1HG ARG 62 -4.876 2.622 -9.699 506 HG3 ARG 62 2HG ARG 62 -3.505 2.356 -8.620 507 HD2 ARG 62 1HD ARG 62 -2.687 1.485 -10.580 508 HD3 ARG 62 2HD ARG 62 -3.383 0.044 -9.840 509 HE ARG 62 HE ARG 62 -4.973 -0.010 -11.498 510 HH11 ARG 62 2HH1 ARG 62 -3.291 3.037 -11.587 511 HH12 ARG 62 1HH1 ARG 62 -3.982 3.523 -13.099 512 HH21 ARG 62 2HH2 ARG 62 -5.890 0.619 -13.490 513 HH22 ARG 62 1HH2 ARG 62 -5.461 2.147 -14.180 514 H ARG 63 H ARG 63 -8.320 2.043 -6.794 515 HA ARG 63 HA ARG 63 -8.698 4.151 -8.804 516 HB2 ARG 63 1HB ARG 63 -10.792 2.417 -7.484 517 HB3 ARG 63 2HB ARG 63 -11.035 3.511 -8.838 518 HG2 ARG 63 1HG ARG 63 -9.472 2.110 -10.171 519 HG3 ARG 63 2HG ARG 63 -9.426 0.970 -8.824 520 HD2 ARG 63 1HD ARG 63 -11.762 0.519 -9.034 521 HD3 ARG 63 2HD ARG 63 -11.964 1.826 -10.200 522 HE ARG 63 HE ARG 63 -11.026 -0.833 -10.728 523 HH11 ARG 63 2HH1 ARG 63 -10.957 2.479 -11.798 524 HH12 ARG 63 1HH1 ARG 63 -10.598 2.076 -13.444 525 HH21 ARG 63 2HH2 ARG 63 -10.553 -1.376 -12.892 526 HH22 ARG 63 1HH2 ARG 63 -10.369 -0.117 -14.066 527 H ARG 64 H ARG 64 -8.989 3.428 -5.419 528 HA ARG 64 HA ARG 64 -9.927 6.181 -4.953 529 HB2 ARG 64 1HB ARG 64 -11.503 4.120 -4.427 530 HB3 ARG 64 2HB ARG 64 -10.526 4.035 -2.968 531 HG2 ARG 64 1HG ARG 64 -11.305 6.042 -2.163 532 HG3 ARG 64 2HG ARG 64 -11.728 6.641 -3.768 533 HD2 ARG 64 1HD ARG 64 -13.810 6.179 -2.926 534 HD3 ARG 64 2HD ARG 64 -13.433 4.650 -3.719 535 HE ARG 64 HE ARG 64 -12.676 4.789 -0.936 536 HH11 ARG 64 2HH1 ARG 64 -15.163 3.958 -3.226 537 HH12 ARG 64 1HH1 ARG 64 -15.972 2.867 -2.149 538 HH21 ARG 64 2HH2 ARG 64 -13.732 3.357 0.491 539 HH22 ARG 64 1HH2 ARG 64 -15.157 2.527 -0.035 540 H ILE 65 H ILE 65 -8.110 3.436 -3.642 541 HA ILE 65 HA ILE 65 -6.951 4.866 -1.484 542 HB ILE 65 HB ILE 65 -6.061 2.335 -2.867 543 HG12 ILE 65 1HG1 ILE 65 -7.740 2.950 -0.451 544 HG13 ILE 65 2HG1 ILE 65 -8.102 1.883 -1.803 545 HG21 ILE 65 1HG2 ILE 65 -5.087 3.464 -0.247 546 HG22 ILE 65 2HG2 ILE 65 -4.575 1.956 -1.004 547 HG23 ILE 65 3HG2 ILE 65 -4.184 3.500 -1.761 548 HD11 ILE 65 1HD1 ILE 65 -6.003 1.358 0.287 549 HD12 ILE 65 2HD1 ILE 65 -7.630 0.676 0.284 550 HD13 ILE 65 3HD1 ILE 65 -6.501 0.270 -1.009 551 H LEU 66 H LEU 66 -5.513 3.753 -4.556 552 HA LEU 66 HA LEU 66 -3.040 4.889 -4.379 553 HB2 LEU 66 1HB LEU 66 -3.397 3.582 -6.257 554 HB3 LEU 66 2HB LEU 66 -4.878 4.434 -6.690 555 HG LEU 66 HG LEU 66 -3.527 6.367 -7.408 556 HD11 LEU 66 1HD1 LEU 66 -0.994 5.345 -7.763 557 HD12 LEU 66 2HD1 LEU 66 -1.420 4.827 -6.133 558 HD13 LEU 66 3HD1 LEU 66 -1.477 6.538 -6.557 559 HD21 LEU 66 1HD2 LEU 66 -2.395 4.002 -8.830 560 HD22 LEU 66 2HD2 LEU 66 -3.056 5.501 -9.484 561 HD23 LEU 66 3HD2 LEU 66 -4.140 4.265 -8.843 562 HA PRO 67 HA PRO 67 -4.748 9.061 -6.153 563 HB2 PRO 67 1HB PRO 67 -7.440 9.408 -6.073 564 HB3 PRO 67 2HB PRO 67 -6.603 8.695 -7.458 565 HG2 PRO 67 1HG PRO 67 -8.068 7.339 -5.226 566 HG3 PRO 67 2HG PRO 67 -8.100 6.985 -6.964 567 HD2 PRO 67 1HD PRO 67 -6.626 5.542 -5.209 568 HD3 PRO 67 2HD PRO 67 -6.117 5.812 -6.889 569 H ASP 68 H ASP 68 -5.700 7.452 -3.328 570 HA ASP 68 HA ASP 68 -6.517 9.863 -1.917 571 HB2 ASP 68 1HB ASP 68 -7.725 7.800 -1.434 572 HB3 ASP 68 2HB ASP 68 -6.223 7.004 -0.971 573 H MET 69 H MET 69 -3.912 7.451 -1.767 574 HA MET 69 HA MET 69 -2.484 8.839 0.285 575 HB2 MET 69 1HB MET 69 -0.645 7.233 -0.294 576 HB3 MET 69 2HB MET 69 -2.175 6.473 0.125 577 HG2 MET 69 1HG MET 69 -2.646 5.972 -2.144 578 HG3 MET 69 2HG MET 69 -1.309 6.972 -2.707 579 HE1 MET 69 1HE MET 69 -2.067 4.350 -0.113 580 HE2 MET 69 2HE MET 69 -2.159 3.178 -1.428 581 HE3 MET 69 3HE MET 69 -0.815 3.119 -0.287 582 H LEU 70 H LEU 70 -2.398 8.777 -3.218 583 HA LEU 70 HA LEU 70 0.041 9.917 -3.769 584 HB2 LEU 70 1HB LEU 70 -2.038 9.220 -5.270 585 HB3 LEU 70 2HB LEU 70 -2.310 10.961 -5.251 586 HG LEU 70 HG LEU 70 0.272 10.939 -5.961 587 HD11 LEU 70 1HD1 LEU 70 1.030 9.055 -6.888 588 HD12 LEU 70 2HD1 LEU 70 -0.504 8.723 -7.692 589 HD13 LEU 70 3HD1 LEU 70 -0.272 8.254 -6.008 590 HD21 LEU 70 1HD2 LEU 70 -2.021 10.492 -7.869 591 HD22 LEU 70 2HD2 LEU 70 -0.476 11.257 -8.242 592 HD23 LEU 70 3HD2 LEU 70 -1.600 12.036 -7.127 593 H GLN 71 H GLN 71 -2.970 11.576 -2.890 594 HA GLN 71 HA GLN 71 -1.438 14.066 -2.574 595 HB2 GLN 71 1HB GLN 71 -3.626 15.211 -2.652 596 HB3 GLN 71 2HB GLN 71 -3.303 14.280 -4.108 597 HG2 GLN 71 1HG GLN 71 -5.442 13.643 -3.764 598 HG3 GLN 71 2HG GLN 71 -4.644 12.431 -2.763 599 HE21 GLN 71 1HE2 GLN 71 -6.014 15.692 -2.588 600 HE22 GLN 71 2HE2 GLN 71 -6.663 15.522 -0.996 601 H GLN 72 H GLN 72 -1.019 12.290 -0.583 602 HA GLN 72 HA GLN 72 -2.831 12.994 1.604 603 HB2 GLN 72 1HB GLN 72 -2.044 10.597 1.122 604 HB3 GLN 72 2HB GLN 72 -0.496 11.103 1.784 605 HG2 GLN 72 1HG GLN 72 -1.330 11.342 3.916 606 HG3 GLN 72 2HG GLN 72 -2.989 11.549 3.356 607 HE21 GLN 72 1HE2 GLN 72 -2.108 9.787 5.406 608 HE22 GLN 72 2HE2 GLN 72 -2.466 8.176 4.896 609 H ARG 73 H ARG 73 -1.623 13.263 3.792 610 HA ARG 73 HA ARG 73 -0.332 14.585 5.118 611 HB2 ARG 73 1HB ARG 73 1.590 14.126 2.840 612 HB3 ARG 73 2HB ARG 73 2.027 15.038 4.279 613 HG2 ARG 73 1HG ARG 73 2.080 13.189 5.607 614 HG3 ARG 73 2HG ARG 73 0.871 12.331 4.650 615 HD2 ARG 73 1HD ARG 73 2.670 12.262 2.817 616 HD3 ARG 73 2HD ARG 73 3.799 12.688 4.103 617 HE ARG 73 HE ARG 73 2.507 10.561 5.133 618 HH11 ARG 73 2HH1 ARG 73 4.083 11.118 2.079 619 HH12 ARG 73 1HH1 ARG 73 4.546 9.462 1.867 620 HH21 ARG 73 2HH2 ARG 73 3.110 8.377 4.866 621 HH22 ARG 73 1HH2 ARG 73 3.991 7.903 3.453 622 H ARG 74 H ARG 74 -2.241 15.919 3.696 623 HA ARG 74 HA ARG 74 -1.377 18.067 2.127 624 HB2 ARG 74 1HB ARG 74 -3.787 17.790 3.927 625 HB3 ARG 74 2HB ARG 74 -3.541 19.142 2.830 626 HG2 ARG 74 1HG ARG 74 -3.503 16.328 1.818 627 HG3 ARG 74 2HG ARG 74 -5.025 17.182 2.078 628 HD2 ARG 74 1HD ARG 74 -2.797 18.374 0.457 629 HD3 ARG 74 2HD ARG 74 -3.979 17.279 -0.258 630 HE ARG 74 HE ARG 74 -4.366 20.013 0.331 631 HH11 ARG 74 2HH1 ARG 74 -6.003 16.943 0.445 632 HH12 ARG 74 1HH1 ARG 74 -7.584 17.632 0.271 633 HH21 ARG 74 2HH2 ARG 74 -6.441 20.932 0.102 634 HH22 ARG 74 1HH2 ARG 74 -7.831 19.901 0.075 635 H ASN 75 H ASN 75 -0.287 19.859 2.592 636 HA ASN 75 HA ASN 75 0.857 21.438 3.769 637 HB2 ASN 75 1HB ASN 75 -1.668 21.962 4.202 638 HB3 ASN 75 2HB ASN 75 -1.318 21.407 5.836 639 HD21 ASN 75 1HD2 ASN 75 -0.431 23.745 3.372 640 HD22 ASN 75 2HD2 ASN 75 0.194 24.933 4.460 641 H ASP 76 H ASP 76 1.656 18.830 4.321 642 HA ASP 76 HA ASP 76 2.029 18.694 7.216 643 HB2 ASP 76 1HB ASP 76 1.364 16.657 5.914 644 HB3 ASP 76 2HB ASP 76 2.931 16.720 5.111 645 HA PRO 77 HA PRO 77 6.055 20.475 7.036 646 HB2 PRO 77 1HB PRO 77 7.023 19.521 9.387 647 HB3 PRO 77 2HB PRO 77 5.831 20.823 9.296 648 HG2 PRO 77 1HG PRO 77 5.415 17.908 9.836 649 HG3 PRO 77 2HG PRO 77 4.678 19.310 10.634 650 HD2 PRO 77 1HD PRO 77 3.390 17.868 8.738 651 HD3 PRO 77 2HD PRO 77 3.131 19.612 8.953 652 H SER 78 H SER 78 8.321 19.886 6.973 653 HA SER 78 HA SER 78 8.926 17.734 5.377 654 HB2 SER 78 1HB SER 78 10.465 19.610 5.732 655 HB3 SER 78 2HB SER 78 10.751 19.075 7.388 656 HG SER 78 HG SER 78 11.564 17.892 4.969 657 H GLY 79 H GLY 79 9.787 15.674 5.697 658 HA2 GLY 79 1HA GLY 79 8.698 14.083 7.653 659 HA3 GLY 79 2HA GLY 79 10.165 13.677 6.773 660 HA PRO 80 HA PRO 80 10.865 14.864 11.396 661 HB2 PRO 80 1HB PRO 80 10.462 12.484 12.637 662 HB3 PRO 80 2HB PRO 80 9.187 13.692 12.439 663 HG2 PRO 80 1HG PRO 80 9.729 11.228 10.828 664 HG3 PRO 80 2HG PRO 80 8.180 11.867 11.409 665 HD2 PRO 80 1HD PRO 80 9.035 12.212 8.863 666 HD3 PRO 80 2HD PRO 80 8.035 13.413 9.706 667 H SER 81 H SER 81 11.655 12.136 9.370 668 HA SER 81 HA SER 81 13.768 10.952 10.629 669 HB2 SER 81 1HB SER 81 13.614 11.650 7.687 670 HB3 SER 81 2HB SER 81 14.669 10.428 8.397 671 HG SER 81 HG SER 81 13.046 9.098 8.467 672 H SER 82 H SER 82 14.036 13.750 8.433 673 HA SER 82 HA SER 82 15.702 15.286 8.142 674 HB2 SER 82 1HB SER 82 15.386 15.057 11.116 675 HB3 SER 82 2HB SER 82 16.627 16.117 10.448 676 HG SER 82 HG SER 82 14.633 17.203 10.786 677 H GLY 83 H GLY 83 16.615 12.715 7.692 678 HA2 GLY 83 1HA GLY 83 19.434 13.042 8.395 679 HA3 GLY 83 2HA GLY 83 18.660 11.537 8.872 Start of MODEL 13 1 H1 GLY 1 H GLY 1 7.456 -18.155 2.080 2 HA2 GLY 1 1HA GLY 1 7.812 -19.571 -0.486 3 HA3 GLY 1 2HA GLY 1 8.284 -20.214 1.080 4 H SER 2 H SER 2 7.016 -22.080 0.245 5 HA SER 2 HA SER 2 4.126 -21.698 0.664 6 HB2 SER 2 1HB SER 2 5.699 -23.544 -1.088 7 HB3 SER 2 2HB SER 2 4.122 -24.070 -0.497 8 HG SER 2 HG SER 2 3.363 -22.929 -2.082 9 H SER 3 H SER 3 3.960 -21.970 2.850 10 HA SER 3 HA SER 3 4.742 -24.616 3.885 11 HB2 SER 3 1HB SER 3 6.214 -23.075 4.946 12 HB3 SER 3 2HB SER 3 4.912 -21.922 5.238 13 HG SER 3 HG SER 3 5.648 -24.158 6.668 14 H GLY 4 H GLY 4 2.650 -21.826 4.662 15 HA2 GLY 4 1HA GLY 4 0.692 -23.638 5.845 16 HA3 GLY 4 2HA GLY 4 0.655 -21.882 5.904 17 H SER 5 H SER 5 -0.583 -24.650 4.418 18 HA SER 5 HA SER 5 -1.281 -23.667 1.877 19 HB2 SER 5 1HB SER 5 -2.680 -25.748 3.574 20 HB3 SER 5 2HB SER 5 -2.955 -25.488 1.852 21 HG SER 5 HG SER 5 -0.364 -25.997 2.833 22 H SER 6 H SER 6 -3.041 -22.580 1.112 23 HA SER 6 HA SER 6 -4.240 -20.594 2.486 24 HB2 SER 6 1HB SER 6 -5.222 -22.230 0.168 25 HB3 SER 6 2HB SER 6 -6.240 -20.959 0.846 26 HG SER 6 HG SER 6 -3.846 -20.768 -0.564 27 H GLY 7 H GLY 7 -5.132 -20.754 4.450 28 HA2 GLY 7 1HA GLY 7 -6.711 -23.039 5.226 29 HA3 GLY 7 2HA GLY 7 -6.367 -21.624 6.209 30 H LYS 8 H LYS 8 -8.212 -20.733 6.837 31 HA LYS 8 HA LYS 8 -10.719 -21.098 5.767 32 HB2 LYS 8 1HB LYS 8 -11.458 -19.307 7.121 33 HB3 LYS 8 2HB LYS 8 -10.092 -20.010 7.978 34 HG2 LYS 8 1HG LYS 8 -9.562 -17.743 6.137 35 HG3 LYS 8 2HG LYS 8 -10.361 -17.403 7.674 36 HD2 LYS 8 1HD LYS 8 -7.816 -18.999 7.475 37 HD3 LYS 8 2HD LYS 8 -7.831 -17.244 7.662 38 HE2 LYS 8 1HE LYS 8 -9.018 -17.434 9.753 39 HE3 LYS 8 2HE LYS 8 -9.178 -19.177 9.544 40 HZ1 LYS 8 1HZ LYS 8 -7.364 -18.437 11.076 41 HZ2 LYS 8 2HZ LYS 8 -6.556 -17.808 9.730 42 HZ3 LYS 8 3HZ LYS 8 -6.865 -19.468 9.830 43 H LYS 9 H LYS 9 -12.119 -19.717 4.536 44 HA LYS 9 HA LYS 9 -10.789 -17.767 2.802 45 HB2 LYS 9 1HB LYS 9 -12.123 -20.294 1.952 46 HB3 LYS 9 2HB LYS 9 -12.336 -18.869 0.944 47 HG2 LYS 9 1HG LYS 9 -10.042 -18.719 0.480 48 HG3 LYS 9 2HG LYS 9 -9.621 -19.822 1.792 49 HD2 LYS 9 1HD LYS 9 -9.403 -21.071 -0.203 50 HD3 LYS 9 2HD LYS 9 -10.918 -21.597 0.534 51 HE2 LYS 9 1HE LYS 9 -12.157 -20.105 -0.960 52 HE3 LYS 9 2HE LYS 9 -10.643 -19.580 -1.694 53 HZ1 LYS 9 1HZ LYS 9 -11.083 -22.444 -1.665 54 HZ2 LYS 9 2HZ LYS 9 -10.477 -21.453 -2.895 55 HZ3 LYS 9 3HZ LYS 9 -12.147 -21.565 -2.645 56 H ARG 10 H ARG 10 -11.876 -15.936 3.042 57 HA ARG 10 HA ARG 10 -14.814 -16.037 3.055 58 HB2 ARG 10 1HB ARG 10 -13.575 -15.606 5.346 59 HB3 ARG 10 2HB ARG 10 -13.410 -13.978 4.703 60 HG2 ARG 10 1HG ARG 10 -15.357 -13.980 6.030 61 HG3 ARG 10 2HG ARG 10 -15.903 -13.986 4.352 62 HD2 ARG 10 1HD ARG 10 -17.255 -15.614 5.220 63 HD3 ARG 10 2HD ARG 10 -15.882 -16.594 4.706 64 HE ARG 10 HE ARG 10 -15.608 -15.697 7.399 65 HH11 ARG 10 2HH1 ARG 10 -17.159 -18.070 5.378 66 HH12 ARG 10 1HH1 ARG 10 -17.308 -19.242 6.646 67 HH21 ARG 10 2HH2 ARG 10 -15.799 -17.232 9.076 68 HH22 ARG 10 1HH2 ARG 10 -16.535 -18.764 8.748 69 H LYS 11 H LYS 11 -15.854 -14.104 2.302 70 HA LYS 11 HA LYS 11 -14.186 -12.639 0.384 71 HB2 LYS 11 1HB LYS 11 -16.388 -13.955 -0.191 72 HB3 LYS 11 2HB LYS 11 -17.176 -12.500 0.406 73 HG2 LYS 11 1HG LYS 11 -15.013 -12.197 -1.607 74 HG3 LYS 11 2HG LYS 11 -16.580 -12.811 -2.140 75 HD2 LYS 11 1HD LYS 11 -17.652 -10.833 -1.087 76 HD3 LYS 11 2HD LYS 11 -16.046 -10.208 -0.709 77 HE2 LYS 11 1HE LYS 11 -15.495 -10.052 -3.039 78 HE3 LYS 11 2HE LYS 11 -16.988 -10.872 -3.494 79 HZ1 LYS 11 1HZ LYS 11 -17.700 -8.773 -3.775 80 HZ2 LYS 11 2HZ LYS 11 -16.554 -8.107 -2.725 81 HZ3 LYS 11 3HZ LYS 11 -17.955 -8.824 -2.103 82 H GLY 12 H GLY 12 -14.166 -10.402 0.285 83 HA2 GLY 12 1HA GLY 12 -15.514 -8.384 1.148 84 HA3 GLY 12 2HA GLY 12 -15.145 -9.072 2.722 85 H ASN 13 H ASN 13 -14.372 -6.555 2.355 86 HA ASN 13 HA ASN 13 -11.832 -6.176 1.189 87 HB2 ASN 13 1HB ASN 13 -13.017 -4.611 3.489 88 HB3 ASN 13 2HB ASN 13 -11.789 -4.062 2.352 89 HD21 ASN 13 1HD2 ASN 13 -12.394 -3.215 0.441 90 HD22 ASN 13 2HD2 ASN 13 -14.035 -3.026 -0.064 91 H LEU 14 H LEU 14 -9.870 -5.517 2.473 92 HA LEU 14 HA LEU 14 -9.313 -7.604 4.427 93 HB2 LEU 14 1HB LEU 14 -7.311 -5.601 3.467 94 HB3 LEU 14 2HB LEU 14 -7.056 -7.260 4.004 95 HG LEU 14 HG LEU 14 -8.551 -6.704 1.469 96 HD11 LEU 14 1HD1 LEU 14 -5.694 -7.278 1.184 97 HD12 LEU 14 2HD1 LEU 14 -6.057 -5.676 1.824 98 HD13 LEU 14 3HD1 LEU 14 -6.731 -6.180 0.275 99 HD21 LEU 14 1HD2 LEU 14 -7.603 -9.001 2.898 100 HD22 LEU 14 2HD2 LEU 14 -6.847 -8.929 1.306 101 HD23 LEU 14 3HD2 LEU 14 -8.605 -8.922 1.448 102 HA PRO 15 HA PRO 15 -9.487 -5.015 7.971 103 HB2 PRO 15 1HB PRO 15 -7.603 -6.184 9.537 104 HB3 PRO 15 2HB PRO 15 -9.179 -6.920 9.218 105 HG2 PRO 15 1HG PRO 15 -6.530 -7.484 7.941 106 HG3 PRO 15 2HG PRO 15 -7.778 -8.623 8.479 107 HD2 PRO 15 1HD PRO 15 -7.476 -7.913 5.884 108 HD3 PRO 15 2HD PRO 15 -9.057 -8.312 6.587 109 H ALA 16 H ALA 16 -8.582 -3.168 8.728 110 HA ALA 16 HA ALA 16 -6.706 -1.735 7.409 111 HB1 ALA 16 1HB ALA 16 -8.160 -1.350 9.693 112 HB2 ALA 16 2HB ALA 16 -6.501 -1.305 10.291 113 HB3 ALA 16 3HB ALA 16 -7.006 -0.203 9.011 114 H GLU 17 H GLU 17 -5.954 -3.483 10.433 115 HA GLU 17 HA GLU 17 -3.308 -3.165 10.668 116 HB2 GLU 17 1HB GLU 17 -3.151 -5.489 11.536 117 HB3 GLU 17 2HB GLU 17 -4.515 -4.591 12.190 118 HG2 GLU 17 1HG GLU 17 -6.029 -5.731 10.691 119 HG3 GLU 17 2HG GLU 17 -4.680 -6.577 9.935 120 H SER 18 H SER 18 -4.821 -5.449 8.412 121 HA SER 18 HA SER 18 -2.315 -6.311 7.319 122 HB2 SER 18 1HB SER 18 -3.975 -7.940 7.131 123 HB3 SER 18 2HB SER 18 -5.200 -6.775 6.626 124 HG SER 18 HG SER 18 -4.321 -8.179 4.937 125 H VAL 19 H VAL 19 -4.824 -4.018 6.386 126 HA VAL 19 HA VAL 19 -4.015 -3.425 3.800 127 HB VAL 19 HB VAL 19 -5.142 -1.490 5.829 128 HG11 VAL 19 1HG1 VAL 19 -4.146 -0.421 3.836 129 HG12 VAL 19 2HG1 VAL 19 -5.219 -1.381 2.815 130 HG13 VAL 19 3HG1 VAL 19 -5.892 -0.194 3.934 131 HG21 VAL 19 1HG2 VAL 19 -6.305 -3.799 4.959 132 HG22 VAL 19 2HG2 VAL 19 -7.181 -2.375 5.521 133 HG23 VAL 19 3HG2 VAL 19 -6.917 -2.625 3.795 134 H LYS 20 H LYS 20 -3.059 -1.769 6.809 135 HA LYS 20 HA LYS 20 -1.395 0.160 5.935 136 HB2 LYS 20 1HB LYS 20 -1.760 -0.245 8.300 137 HB3 LYS 20 2HB LYS 20 -0.863 -1.755 8.212 138 HG2 LYS 20 1HG LYS 20 1.173 -0.701 8.101 139 HG3 LYS 20 2HG LYS 20 0.489 0.782 7.431 140 HD2 LYS 20 1HD LYS 20 -0.176 -0.113 10.216 141 HD3 LYS 20 2HD LYS 20 1.299 0.797 9.878 142 HE2 LYS 20 1HE LYS 20 0.152 2.704 9.304 143 HE3 LYS 20 2HE LYS 20 -1.297 1.818 8.830 144 HZ1 LYS 20 1HZ LYS 20 -2.085 1.804 10.927 145 HZ2 LYS 20 2HZ LYS 20 -1.108 3.174 11.094 146 HZ3 LYS 20 3HZ LYS 20 -0.557 1.671 11.639 147 H ILE 21 H ILE 21 -0.568 -3.278 6.159 148 HA ILE 21 HA ILE 21 2.123 -3.072 5.409 149 HB ILE 21 HB ILE 21 0.170 -5.336 5.004 150 HG12 ILE 21 1HG1 ILE 21 1.867 -6.200 6.888 151 HG13 ILE 21 2HG1 ILE 21 1.997 -4.470 7.186 152 HG21 ILE 21 1HG2 ILE 21 1.695 -6.451 3.839 153 HG22 ILE 21 2HG2 ILE 21 2.689 -4.995 3.805 154 HG23 ILE 21 3HG2 ILE 21 2.904 -6.179 5.094 155 HD11 ILE 21 1HD1 ILE 21 -0.077 -6.299 7.935 156 HD12 ILE 21 2HD1 ILE 21 0.173 -4.622 8.423 157 HD13 ILE 21 3HD1 ILE 21 -0.737 -4.988 6.957 158 H LEU 22 H LEU 22 -0.758 -3.715 3.420 159 HA LEU 22 HA LEU 22 0.649 -3.803 0.961 160 HB2 LEU 22 1HB LEU 22 -2.256 -3.297 1.575 161 HB3 LEU 22 2HB LEU 22 -1.613 -3.518 -0.051 162 HG LEU 22 HG LEU 22 -1.664 -5.569 2.162 163 HD11 LEU 22 1HD1 LEU 22 -3.304 -5.062 -0.271 164 HD12 LEU 22 2HD1 LEU 22 -3.800 -5.595 1.335 165 HD13 LEU 22 3HD1 LEU 22 -3.014 -6.727 0.235 166 HD21 LEU 22 1HD2 LEU 22 0.309 -6.038 1.013 167 HD22 LEU 22 2HD2 LEU 22 -0.369 -5.560 -0.543 168 HD23 LEU 22 3HD2 LEU 22 -0.888 -7.062 0.221 169 H ARG 23 H ARG 23 -1.485 -1.291 2.330 170 HA ARG 23 HA ARG 23 -1.236 0.656 0.435 171 HB2 ARG 23 1HB ARG 23 -1.578 0.735 3.399 172 HB3 ARG 23 2HB ARG 23 -1.267 2.246 2.555 173 HG2 ARG 23 1HG ARG 23 -3.216 1.780 1.099 174 HG3 ARG 23 2HG ARG 23 -3.552 0.348 2.073 175 HD2 ARG 23 1HD ARG 23 -3.537 3.216 3.004 176 HD3 ARG 23 2HD ARG 23 -4.944 2.170 2.820 177 HE ARG 23 HE ARG 23 -3.105 0.990 4.601 178 HH11 ARG 23 2HH1 ARG 23 -5.371 3.625 4.391 179 HH12 ARG 23 1HH1 ARG 23 -5.694 3.655 6.093 180 HH21 ARG 23 2HH2 ARG 23 -3.522 1.019 6.844 181 HH22 ARG 23 1HH2 ARG 23 -4.641 2.173 7.487 182 H ASP 24 H ASP 24 0.854 0.429 3.321 183 HA ASP 24 HA ASP 24 2.640 2.388 2.927 184 HB2 ASP 24 1HB ASP 24 2.643 0.427 4.645 185 HB3 ASP 24 2HB ASP 24 3.728 -0.351 3.496 186 H TRP 25 H TRP 25 2.631 -0.686 1.174 187 HA TRP 25 HA TRP 25 4.970 -0.056 -0.355 188 HB2 TRP 25 1HB TRP 25 4.350 -2.382 0.101 189 HB3 TRP 25 2HB TRP 25 2.848 -2.168 -0.794 190 HD1 TRP 25 HD TRP 25 6.531 -2.873 -1.272 191 HE1 TRP 25 1HE TRP 25 6.988 -3.355 -3.759 192 HE3 TRP 25 3HE TRP 25 2.000 -1.513 -3.210 193 HZ2 TRP 25 2HZ TRP 25 5.611 -3.181 -6.216 194 HZ3 TRP 25 3HZ TRP 25 1.652 -1.700 -5.638 195 HH2 TRP 25 HH TRP 25 3.421 -2.517 -7.109 196 H MET 26 H MET 26 1.513 -0.333 -1.197 197 HA MET 26 HA MET 26 1.608 0.453 -3.821 198 HB2 MET 26 1HB MET 26 -0.453 -0.298 -2.817 199 HB3 MET 26 2HB MET 26 -0.485 1.090 -1.738 200 HG2 MET 26 1HG MET 26 -0.720 2.562 -3.714 201 HG3 MET 26 2HG MET 26 -0.818 1.123 -4.726 202 HE1 MET 26 1HE MET 26 -2.974 0.017 -5.342 203 HE2 MET 26 2HE MET 26 -4.474 0.891 -5.032 204 HE3 MET 26 3HE MET 26 -3.107 1.722 -5.776 205 H TYR 27 H TYR 27 2.330 2.331 -1.059 206 HA TYR 27 HA TYR 27 1.784 4.901 -2.194 207 HB2 TYR 27 1HB TYR 27 1.874 4.439 0.264 208 HB3 TYR 27 2HB TYR 27 3.615 4.231 0.118 209 HD1 TYR 27 2HD TYR 27 0.945 6.724 -0.662 210 HD2 TYR 27 1HD TYR 27 4.985 6.056 0.494 211 HE1 TYR 27 2HE TYR 27 1.253 9.146 -0.361 212 HE2 TYR 27 1HE TYR 27 5.304 8.476 0.799 213 HH TYR 27 HH TYR 27 2.978 10.603 1.177 214 H LYS 28 H LYS 28 4.754 3.031 -1.612 215 HA LYS 28 HA LYS 28 6.496 4.907 -2.819 216 HB2 LYS 28 1HB LYS 28 6.768 1.965 -2.216 217 HB3 LYS 28 2HB LYS 28 8.067 2.905 -2.939 218 HG2 LYS 28 1HG LYS 28 8.097 4.374 -0.992 219 HG3 LYS 28 2HG LYS 28 6.785 3.442 -0.267 220 HD2 LYS 28 1HD LYS 28 8.158 1.515 -0.054 221 HD3 LYS 28 2HD LYS 28 9.421 2.223 -1.065 222 HE2 LYS 28 1HE LYS 28 8.589 3.575 1.470 223 HE3 LYS 28 2HE LYS 28 9.692 2.201 1.524 224 HZ1 LYS 28 1HZ LYS 28 10.626 3.895 -0.460 225 HZ2 LYS 28 2HZ LYS 28 11.324 3.600 1.051 226 HZ3 LYS 28 3HZ LYS 28 10.245 4.888 0.856 227 H HIS 29 H HIS 29 4.704 2.142 -4.050 228 HA HIS 29 HA HIS 29 5.805 2.608 -6.729 229 HB2 HIS 29 1HB HIS 29 4.030 0.323 -5.871 230 HB3 HIS 29 2HB HIS 29 5.025 0.429 -7.320 231 HD1 HIS 29 1HD HIS 29 7.153 -0.808 -7.168 232 HD2 HIS 29 2HD HIS 29 5.788 0.370 -3.425 233 HE1 HIS 29 1HE HIS 29 8.798 -1.761 -5.522 234 HE2 HIS 29 2HE HIS 29 7.905 -1.107 -3.260 235 H ARG 30 H ARG 30 3.387 3.796 -4.969 236 HA ARG 30 HA ARG 30 0.971 3.527 -6.084 237 HB2 ARG 30 1HB ARG 30 0.493 5.828 -5.583 238 HB3 ARG 30 2HB ARG 30 1.591 5.215 -4.354 239 HG2 ARG 30 1HG ARG 30 3.466 6.252 -5.682 240 HG3 ARG 30 2HG ARG 30 2.222 7.053 -6.644 241 HD2 ARG 30 1HD ARG 30 1.344 8.128 -4.649 242 HD3 ARG 30 2HD ARG 30 2.528 7.284 -3.652 243 HE ARG 30 HE ARG 30 3.750 8.835 -5.717 244 HH11 ARG 30 2HH1 ARG 30 2.335 8.988 -2.540 245 HH12 ARG 30 1HH1 ARG 30 3.221 10.402 -2.071 246 HH21 ARG 30 2HH2 ARG 30 4.922 10.696 -5.112 247 HH22 ARG 30 1HH2 ARG 30 4.691 11.373 -3.535 248 H PHE 31 H PHE 31 3.762 4.882 -7.668 249 HA PHE 31 HA PHE 31 2.596 6.231 -9.791 250 HB2 PHE 31 1HB PHE 31 5.123 5.828 -9.090 251 HB3 PHE 31 2HB PHE 31 5.019 4.569 -10.316 252 HD1 PHE 31 2HD PHE 31 3.756 8.073 -10.044 253 HD2 PHE 31 1HD PHE 31 5.969 5.215 -12.292 254 HE1 PHE 31 2HE PHE 31 4.139 9.755 -11.798 255 HE2 PHE 31 1HE PHE 31 6.357 6.893 -14.049 256 HZ PHE 31 HZ PHE 31 5.440 9.166 -13.805 257 H LYS 32 H LYS 32 3.492 2.797 -9.580 258 HA LYS 32 HA LYS 32 1.947 2.292 -12.027 259 HB2 LYS 32 1HB LYS 32 3.118 0.122 -12.091 260 HB3 LYS 32 2HB LYS 32 4.236 1.479 -12.097 261 HG2 LYS 32 1HG LYS 32 4.175 1.039 -9.479 262 HG3 LYS 32 2HG LYS 32 3.762 -0.587 -10.030 263 HD2 LYS 32 1HD LYS 32 6.036 -0.768 -10.025 264 HD3 LYS 32 2HD LYS 32 5.807 -0.147 -11.662 265 HE2 LYS 32 1HE LYS 32 6.112 1.822 -9.460 266 HE3 LYS 32 2HE LYS 32 7.545 0.929 -9.965 267 HZ1 LYS 32 1HZ LYS 32 7.705 2.149 -11.796 268 HZ2 LYS 32 2HZ LYS 32 6.522 3.173 -11.154 269 HZ3 LYS 32 3HZ LYS 32 6.078 1.918 -12.199 270 H ALA 33 H ALA 33 2.287 1.319 -8.656 271 HA ALA 33 HA ALA 33 0.915 0.185 -7.237 272 HB1 ALA 33 1HB ALA 33 -0.602 2.052 -8.107 273 HB2 ALA 33 2HB ALA 33 -1.360 0.801 -9.094 274 HB3 ALA 33 3HB ALA 33 -1.372 0.664 -7.336 275 H TYR 34 H TYR 34 2.229 -1.347 -9.235 276 HA TYR 34 HA TYR 34 0.354 -3.599 -9.421 277 HB2 TYR 34 1HB TYR 34 2.169 -2.607 -11.624 278 HB3 TYR 34 2HB TYR 34 1.349 -4.164 -11.652 279 HD1 TYR 34 1HD TYR 34 -1.307 -3.472 -10.600 280 HD2 TYR 34 2HD TYR 34 1.186 -1.367 -13.331 281 HE1 TYR 34 1HE TYR 34 -3.294 -2.410 -11.586 282 HE2 TYR 34 2HE TYR 34 -0.794 -0.298 -14.323 283 HH TYR 34 HH TYR 34 -3.050 0.195 -13.854 284 HA PRO 35 HA PRO 35 4.162 -5.012 -7.321 285 HB2 PRO 35 1HB PRO 35 2.880 -6.866 -5.807 286 HB3 PRO 35 2HB PRO 35 2.982 -5.160 -5.355 287 HG2 PRO 35 1HG PRO 35 0.734 -6.643 -6.664 288 HG3 PRO 35 2HG PRO 35 0.673 -5.442 -5.361 289 HD2 PRO 35 1HD PRO 35 0.115 -4.825 -7.937 290 HD3 PRO 35 2HD PRO 35 0.860 -3.666 -6.818 291 H SER 36 H SER 36 5.402 -6.802 -7.732 292 HA SER 36 HA SER 36 4.467 -8.554 -9.845 293 HB2 SER 36 1HB SER 36 6.701 -7.636 -10.063 294 HB3 SER 36 2HB SER 36 7.162 -8.290 -8.492 295 HG SER 36 HG SER 36 7.620 -10.088 -9.455 296 H GLU 37 H GLU 37 4.598 -10.857 -9.744 297 HA GLU 37 HA GLU 37 3.271 -12.162 -7.849 298 HB2 GLU 37 1HB GLU 37 5.682 -13.134 -9.372 299 HB3 GLU 37 2HB GLU 37 4.741 -14.199 -8.337 300 HG2 GLU 37 1HG GLU 37 3.412 -12.603 -10.486 301 HG3 GLU 37 2HG GLU 37 4.229 -14.119 -10.859 302 H GLU 38 H GLU 38 6.728 -11.430 -7.640 303 HA GLU 38 HA GLU 38 7.209 -12.770 -5.207 304 HB2 GLU 38 1HB GLU 38 8.809 -11.604 -7.014 305 HB3 GLU 38 2HB GLU 38 8.761 -10.313 -5.822 306 HG2 GLU 38 1HG GLU 38 9.285 -12.322 -4.178 307 HG3 GLU 38 2HG GLU 38 9.961 -13.015 -5.651 308 H GLU 39 H GLU 39 6.551 -9.335 -5.883 309 HA GLU 39 HA GLU 39 6.636 -8.371 -3.289 310 HB2 GLU 39 1HB GLU 39 4.753 -7.467 -5.475 311 HB3 GLU 39 2HB GLU 39 5.239 -6.531 -4.068 312 HG2 GLU 39 1HG GLU 39 7.179 -7.517 -6.139 313 HG3 GLU 39 2HG GLU 39 6.385 -5.945 -6.219 314 H LYS 40 H LYS 40 3.764 -9.498 -5.074 315 HA LYS 40 HA LYS 40 1.910 -9.225 -3.020 316 HB2 LYS 40 1HB LYS 40 1.635 -11.567 -4.830 317 HB3 LYS 40 2HB LYS 40 0.449 -10.350 -4.379 318 HG2 LYS 40 1HG LYS 40 1.817 -8.738 -5.808 319 HG3 LYS 40 2HG LYS 40 2.610 -10.179 -6.449 320 HD2 LYS 40 1HD LYS 40 0.344 -11.064 -7.035 321 HD3 LYS 40 2HD LYS 40 -0.325 -9.499 -6.568 322 HE2 LYS 40 1HE LYS 40 0.684 -8.397 -8.343 323 HE3 LYS 40 2HE LYS 40 1.903 -9.653 -8.559 324 HZ1 LYS 40 1HZ LYS 40 -0.923 -10.311 -9.011 325 HZ2 LYS 40 2HZ LYS 40 0.461 -10.982 -9.714 326 HZ3 LYS 40 3HZ LYS 40 -0.081 -9.456 -10.203 327 H GLN 41 H GLN 41 3.520 -12.252 -4.019 328 HA GLN 41 HA GLN 41 2.648 -13.863 -1.958 329 HB2 GLN 41 1HB GLN 41 4.112 -14.382 -4.066 330 HB3 GLN 41 2HB GLN 41 5.458 -14.127 -2.963 331 HG2 GLN 41 1HG GLN 41 4.708 -16.506 -3.262 332 HG3 GLN 41 2HG GLN 41 4.818 -15.932 -1.598 333 HE21 GLN 41 1HE2 GLN 41 2.931 -15.585 -0.421 334 HE22 GLN 41 2HE2 GLN 41 1.412 -16.247 -0.910 335 H MET 42 H MET 42 5.264 -11.524 -1.978 336 HA MET 42 HA MET 42 6.428 -12.300 0.490 337 HB2 MET 42 1HB MET 42 7.878 -11.004 -0.738 338 HB3 MET 42 2HB MET 42 6.608 -9.927 -1.304 339 HG2 MET 42 1HG MET 42 6.489 -8.966 0.984 340 HG3 MET 42 2HG MET 42 7.881 -9.955 1.420 341 HE1 MET 42 1HE MET 42 6.957 -6.352 0.140 342 HE2 MET 42 2HE MET 42 7.778 -6.372 -1.421 343 HE3 MET 42 3HE MET 42 6.468 -7.508 -1.100 344 H LEU 43 H LEU 43 4.222 -9.629 -0.351 345 HA LEU 43 HA LEU 43 3.866 -8.679 2.264 346 HB2 LEU 43 1HB LEU 43 1.885 -8.560 -0.003 347 HB3 LEU 43 2HB LEU 43 1.930 -7.511 1.412 348 HG LEU 43 HG LEU 43 4.305 -7.559 -0.380 349 HD11 LEU 43 1HD1 LEU 43 1.847 -7.245 -1.528 350 HD12 LEU 43 2HD1 LEU 43 3.353 -6.565 -2.142 351 HD13 LEU 43 3HD1 LEU 43 2.289 -5.584 -1.134 352 HD21 LEU 43 1HD2 LEU 43 4.577 -5.337 0.364 353 HD22 LEU 43 2HD2 LEU 43 4.107 -6.265 1.788 354 HD23 LEU 43 3HD2 LEU 43 2.920 -5.252 0.964 355 H SER 44 H SER 44 2.016 -11.037 0.373 356 HA SER 44 HA SER 44 -0.127 -11.489 2.017 357 HB2 SER 44 1HB SER 44 -0.292 -12.765 0.121 358 HB3 SER 44 2HB SER 44 1.421 -13.187 0.127 359 HG SER 44 HG SER 44 -0.590 -14.247 1.828 360 H GLU 45 H GLU 45 3.188 -12.235 2.608 361 HA GLU 45 HA GLU 45 2.788 -14.234 4.596 362 HB2 GLU 45 1HB GLU 45 5.137 -12.420 4.032 363 HB3 GLU 45 2HB GLU 45 5.162 -13.726 5.209 364 HG2 GLU 45 1HG GLU 45 4.513 -15.255 3.280 365 HG3 GLU 45 2HG GLU 45 4.939 -13.907 2.226 366 H LYS 46 H LYS 46 3.062 -10.731 4.643 367 HA LYS 46 HA LYS 46 2.996 -10.641 7.545 368 HB2 LYS 46 1HB LYS 46 3.043 -8.461 5.453 369 HB3 LYS 46 2HB LYS 46 3.025 -8.160 7.186 370 HG2 LYS 46 1HG LYS 46 5.257 -8.035 6.828 371 HG3 LYS 46 2HG LYS 46 5.127 -9.773 7.108 372 HD2 LYS 46 1HD LYS 46 6.329 -9.800 5.168 373 HD3 LYS 46 2HD LYS 46 4.700 -9.785 4.491 374 HE2 LYS 46 1HE LYS 46 5.908 -8.148 3.298 375 HE3 LYS 46 2HE LYS 46 4.894 -7.261 4.435 376 HZ1 LYS 46 1HZ LYS 46 7.319 -6.567 4.217 377 HZ2 LYS 46 2HZ LYS 46 7.686 -7.965 5.095 378 HZ3 LYS 46 3HZ LYS 46 6.708 -6.767 5.782 379 H THR 47 H THR 47 0.858 -10.134 4.821 380 HA THR 47 HA THR 47 -1.275 -9.115 6.515 381 HB THR 47 HB THR 47 -2.597 -9.033 4.407 382 HG1 THR 47 1HG THR 47 -0.152 -9.884 3.208 383 HG21 THR 47 1HG2 THR 47 -1.018 -7.350 3.247 384 HG22 THR 47 2HG2 THR 47 0.072 -7.674 4.596 385 HG23 THR 47 3HG2 THR 47 -1.534 -7.013 4.899 386 H ASN 48 H ASN 48 -0.227 -12.100 5.125 387 HA ASN 48 HA ASN 48 -0.983 -14.235 5.354 388 HB2 ASN 48 1HB ASN 48 -1.509 -13.273 7.727 389 HB3 ASN 48 2HB ASN 48 -3.182 -13.321 7.179 390 HD21 ASN 48 1HD2 ASN 48 -1.072 -14.943 8.952 391 HD22 ASN 48 2HD2 ASN 48 -1.605 -16.566 8.697 392 H LEU 49 H LEU 49 -2.054 -12.399 3.353 393 HA LEU 49 HA LEU 49 -4.783 -13.411 2.993 394 HB2 LEU 49 1HB LEU 49 -3.348 -11.295 1.400 395 HB3 LEU 49 2HB LEU 49 -5.066 -11.685 1.344 396 HG LEU 49 HG LEU 49 -3.720 -10.603 3.810 397 HD11 LEU 49 1HD1 LEU 49 -4.914 -8.450 3.052 398 HD12 LEU 49 2HD1 LEU 49 -4.865 -9.171 1.444 399 HD13 LEU 49 3HD1 LEU 49 -3.365 -8.862 2.317 400 HD21 LEU 49 1HD2 LEU 49 -5.837 -11.724 4.187 401 HD22 LEU 49 2HD2 LEU 49 -6.599 -10.757 2.923 402 HD23 LEU 49 3HD2 LEU 49 -6.024 -9.983 4.401 403 H SER 50 H SER 50 -5.208 -13.506 0.405 404 HA SER 50 HA SER 50 -3.295 -15.520 -0.560 405 HB2 SER 50 1HB SER 50 -6.226 -15.095 -1.164 406 HB3 SER 50 2HB SER 50 -5.211 -16.230 -2.052 407 HG SER 50 HG SER 50 -6.359 -17.201 -0.296 408 H LEU 51 H LEU 51 -2.308 -15.315 -2.504 409 HA LEU 51 HA LEU 51 -1.661 -12.967 -3.635 410 HB2 LEU 51 1HB LEU 51 -2.112 -15.602 -5.017 411 HB3 LEU 51 2HB LEU 51 -1.373 -14.212 -5.811 412 HG LEU 51 HG LEU 51 -0.277 -15.777 -3.478 413 HD11 LEU 51 1HD1 LEU 51 0.708 -16.981 -5.055 414 HD12 LEU 51 2HD1 LEU 51 1.554 -15.530 -5.593 415 HD13 LEU 51 3HD1 LEU 51 0.009 -15.970 -6.320 416 HD21 LEU 51 1HD2 LEU 51 1.727 -14.140 -4.134 417 HD22 LEU 51 2HD2 LEU 51 0.539 -13.745 -2.890 418 HD23 LEU 51 3HD2 LEU 51 0.369 -13.081 -4.516 419 H LEU 52 H LEU 52 -4.595 -14.799 -4.310 420 HA LEU 52 HA LEU 52 -5.517 -13.234 -6.465 421 HB2 LEU 52 1HB LEU 52 -6.524 -15.329 -6.189 422 HB3 LEU 52 2HB LEU 52 -6.865 -15.037 -4.485 423 HG LEU 52 HG LEU 52 -8.537 -13.303 -5.235 424 HD11 LEU 52 1HD1 LEU 52 -7.930 -12.786 -7.427 425 HD12 LEU 52 2HD1 LEU 52 -9.383 -13.768 -7.607 426 HD13 LEU 52 3HD1 LEU 52 -7.796 -14.482 -7.891 427 HD21 LEU 52 1HD2 LEU 52 -10.186 -14.856 -5.190 428 HD22 LEU 52 2HD2 LEU 52 -8.847 -15.909 -4.733 429 HD23 LEU 52 3HD2 LEU 52 -9.413 -15.876 -6.404 430 H GLN 53 H GLN 53 -6.243 -13.093 -2.986 431 HA GLN 53 HA GLN 53 -8.001 -10.893 -3.142 432 HB2 GLN 53 1HB GLN 53 -6.356 -12.020 -0.881 433 HB3 GLN 53 2HB GLN 53 -7.444 -10.654 -0.670 434 HG2 GLN 53 1HG GLN 53 -9.241 -12.197 -1.659 435 HG3 GLN 53 2HG GLN 53 -8.104 -13.499 -1.315 436 HE21 GLN 53 1HE2 GLN 53 -7.365 -13.708 0.909 437 HE22 GLN 53 2HE2 GLN 53 -8.442 -13.286 2.192 438 H ILE 54 H ILE 54 -4.518 -11.124 -2.589 439 HA ILE 54 HA ILE 54 -3.906 -8.546 -1.871 440 HB ILE 54 HB ILE 54 -2.348 -10.355 -3.719 441 HG12 ILE 54 1HG1 ILE 54 -2.724 -11.334 -1.524 442 HG13 ILE 54 2HG1 ILE 54 -1.040 -10.844 -1.672 443 HG21 ILE 54 1HG2 ILE 54 -0.496 -8.780 -2.518 444 HG22 ILE 54 2HG2 ILE 54 -1.157 -8.495 -4.127 445 HG23 ILE 54 3HG2 ILE 54 -1.824 -7.640 -2.736 446 HD11 ILE 54 1HD1 ILE 54 -3.220 -9.634 -0.032 447 HD12 ILE 54 2HD1 ILE 54 -1.604 -10.147 0.452 448 HD13 ILE 54 3HD1 ILE 54 -1.814 -8.679 -0.502 449 H SER 55 H SER 55 -3.575 -9.695 -5.231 450 HA SER 55 HA SER 55 -3.382 -7.177 -6.396 451 HB2 SER 55 1HB SER 55 -4.040 -9.907 -7.383 452 HB3 SER 55 2HB SER 55 -4.424 -8.551 -8.443 453 HG SER 55 HG SER 55 -2.359 -9.077 -8.927 454 H ASN 56 H ASN 56 -6.245 -9.216 -5.906 455 HA ASN 56 HA ASN 56 -8.159 -7.745 -7.210 456 HB2 ASN 56 1HB ASN 56 -8.192 -9.509 -4.810 457 HB3 ASN 56 2HB ASN 56 -9.625 -8.535 -5.126 458 HD21 ASN 56 1HD2 ASN 56 -10.074 -11.093 -5.185 459 HD22 ASN 56 2HD2 ASN 56 -10.210 -11.708 -6.794 460 H TRP 57 H TRP 57 -6.756 -7.152 -4.031 461 HA TRP 57 HA TRP 57 -8.512 -4.983 -3.396 462 HB2 TRP 57 1HB TRP 57 -7.549 -6.130 -1.551 463 HB3 TRP 57 2HB TRP 57 -5.921 -5.965 -2.204 464 HD1 TRP 57 HD TRP 57 -8.458 -4.191 -0.053 465 HE1 TRP 57 1HE TRP 57 -7.434 -2.013 0.860 466 HE3 TRP 57 3HE TRP 57 -4.204 -4.046 -2.884 467 HZ2 TRP 57 2HZ TRP 57 -5.128 -0.441 0.435 468 HZ3 TRP 57 3HZ TRP 57 -2.641 -2.171 -2.570 469 HH2 TRP 57 HH TRP 57 -3.096 -0.407 -0.945 470 H PHE 58 H PHE 58 -5.228 -5.256 -4.682 471 HA PHE 58 HA PHE 58 -4.527 -2.560 -4.647 472 HB2 PHE 58 1HB PHE 58 -3.666 -4.944 -6.201 473 HB3 PHE 58 2HB PHE 58 -3.207 -3.366 -6.833 474 HD1 PHE 58 2HD PHE 58 -1.736 -1.893 -5.543 475 HD2 PHE 58 1HD PHE 58 -2.685 -5.823 -4.212 476 HE1 PHE 58 2HE PHE 58 0.154 -1.813 -3.969 477 HE2 PHE 58 1HE PHE 58 -0.798 -5.749 -2.636 478 HZ PHE 58 HZ PHE 58 0.626 -3.743 -2.514 479 H ILE 59 H ILE 59 -6.552 -4.359 -6.855 480 HA ILE 59 HA ILE 59 -6.626 -2.490 -8.964 481 HB ILE 59 HB ILE 59 -8.710 -4.506 -8.118 482 HG12 ILE 59 1HG1 ILE 59 -6.690 -4.683 -10.357 483 HG13 ILE 59 2HG1 ILE 59 -6.411 -5.353 -8.754 484 HG21 ILE 59 1HG2 ILE 59 -8.458 -2.832 -10.605 485 HG22 ILE 59 2HG2 ILE 59 -9.459 -4.279 -10.512 486 HG23 ILE 59 3HG2 ILE 59 -9.808 -2.898 -9.473 487 HD11 ILE 59 1HD1 ILE 59 -7.789 -7.097 -9.100 488 HD12 ILE 59 2HD1 ILE 59 -8.917 -6.155 -10.076 489 HD13 ILE 59 3HD1 ILE 59 -7.421 -6.756 -10.791 490 H ASN 60 H ASN 60 -9.299 -3.188 -6.711 491 HA ASN 60 HA ASN 60 -10.745 -0.872 -7.225 492 HB2 ASN 60 1HB ASN 60 -10.783 -2.076 -4.484 493 HB3 ASN 60 2HB ASN 60 -12.124 -1.489 -5.463 494 HD21 ASN 60 1HD2 ASN 60 -12.543 -2.761 -7.476 495 HD22 ASN 60 2HD2 ASN 60 -12.412 -4.480 -7.362 496 H ALA 61 H ALA 61 -7.990 -1.388 -5.170 497 HA ALA 61 HA ALA 61 -8.277 1.033 -3.664 498 HB1 ALA 61 1HB ALA 61 -7.059 -0.952 -2.824 499 HB2 ALA 61 2HB ALA 61 -5.810 -0.659 -4.035 500 HB3 ALA 61 3HB ALA 61 -6.102 0.529 -2.764 501 H ARG 62 H ARG 62 -6.371 0.026 -6.474 502 HA ARG 62 HA ARG 62 -4.918 2.441 -6.737 503 HB2 ARG 62 1HB ARG 62 -4.363 0.195 -7.781 504 HB3 ARG 62 2HB ARG 62 -5.609 0.538 -8.973 505 HG2 ARG 62 1HG ARG 62 -4.346 2.669 -9.485 506 HG3 ARG 62 2HG ARG 62 -3.032 2.005 -8.512 507 HD2 ARG 62 1HD ARG 62 -3.043 -0.002 -9.983 508 HD3 ARG 62 2HD ARG 62 -4.239 0.802 -10.999 509 HE ARG 62 HE ARG 62 -1.419 1.305 -10.922 510 HH11 ARG 62 2HH1 ARG 62 -4.536 2.699 -11.603 511 HH12 ARG 62 1HH1 ARG 62 -3.909 3.895 -12.689 512 HH21 ARG 62 2HH2 ARG 62 -0.582 2.875 -12.350 513 HH22 ARG 62 1HH2 ARG 62 -1.660 3.993 -13.114 514 H ARG 63 H ARG 63 -8.145 1.982 -6.971 515 HA ARG 63 HA ARG 63 -8.516 3.917 -9.148 516 HB2 ARG 63 1HB ARG 63 -10.428 2.015 -7.792 517 HB3 ARG 63 2HB ARG 63 -10.950 3.257 -8.922 518 HG2 ARG 63 1HG ARG 63 -9.555 2.246 -10.665 519 HG3 ARG 63 2HG ARG 63 -9.066 0.988 -9.528 520 HD2 ARG 63 1HD ARG 63 -10.853 0.212 -11.004 521 HD3 ARG 63 2HD ARG 63 -11.381 0.259 -9.322 522 HE ARG 63 HE ARG 63 -12.332 1.919 -11.501 523 HH11 ARG 63 2HH1 ARG 63 -12.196 1.387 -8.063 524 HH12 ARG 63 1HH1 ARG 63 -13.594 2.353 -7.726 525 HH21 ARG 63 2HH2 ARG 63 -14.174 3.193 -11.070 526 HH22 ARG 63 1HH2 ARG 63 -14.719 3.379 -9.438 527 H ARG 64 H ARG 64 -8.812 3.487 -5.727 528 HA ARG 64 HA ARG 64 -9.876 6.225 -5.507 529 HB2 ARG 64 1HB ARG 64 -11.365 4.154 -4.803 530 HB3 ARG 64 2HB ARG 64 -10.388 4.233 -3.343 531 HG2 ARG 64 1HG ARG 64 -12.311 5.491 -2.882 532 HG3 ARG 64 2HG ARG 64 -11.044 6.677 -3.206 533 HD2 ARG 64 1HD ARG 64 -12.737 5.752 -5.471 534 HD3 ARG 64 2HD ARG 64 -13.439 6.872 -4.304 535 HE ARG 64 HE ARG 64 -10.906 7.792 -5.174 536 HH11 ARG 64 2HH1 ARG 64 -14.217 7.475 -6.199 537 HH12 ARG 64 1HH1 ARG 64 -14.145 8.820 -7.290 538 HH21 ARG 64 2HH2 ARG 64 -10.798 9.564 -6.606 539 HH22 ARG 64 1HH2 ARG 64 -12.199 10.007 -7.521 540 H ILE 65 H ILE 65 -7.951 3.689 -3.950 541 HA ILE 65 HA ILE 65 -6.870 5.338 -1.920 542 HB ILE 65 HB ILE 65 -5.761 2.795 -3.113 543 HG12 ILE 65 1HG1 ILE 65 -7.618 3.375 -0.814 544 HG13 ILE 65 2HG1 ILE 65 -7.860 2.274 -2.166 545 HG21 ILE 65 1HG2 ILE 65 -4.397 4.577 -1.561 546 HG22 ILE 65 2HG2 ILE 65 -5.064 3.477 -0.356 547 HG23 ILE 65 3HG2 ILE 65 -4.057 2.850 -1.661 548 HD11 ILE 65 1HD1 ILE 65 -5.607 1.287 -0.929 549 HD12 ILE 65 2HD1 ILE 65 -6.629 1.810 0.410 550 HD13 ILE 65 3HD1 ILE 65 -7.248 0.661 -0.775 551 H LEU 66 H LEU 66 -5.334 4.066 -4.882 552 HA LEU 66 HA LEU 66 -2.941 5.368 -4.789 553 HB2 LEU 66 1HB LEU 66 -3.216 3.877 -6.547 554 HB3 LEU 66 2HB LEU 66 -4.722 4.626 -7.074 555 HG LEU 66 HG LEU 66 -3.464 6.530 -7.961 556 HD11 LEU 66 1HD1 LEU 66 -1.025 6.440 -8.087 557 HD12 LEU 66 2HD1 LEU 66 -1.027 4.970 -7.114 558 HD13 LEU 66 3HD1 LEU 66 -1.584 6.490 -6.415 559 HD21 LEU 66 1HD2 LEU 66 -3.954 4.618 -9.407 560 HD22 LEU 66 2HD2 LEU 66 -2.432 3.866 -8.931 561 HD23 LEU 66 3HD2 LEU 66 -2.422 5.379 -9.839 562 HA PRO 67 HA PRO 67 -4.886 9.260 -6.919 563 HB2 PRO 67 1HB PRO 67 -7.594 9.443 -6.884 564 HB3 PRO 67 2HB PRO 67 -6.701 8.670 -8.198 565 HG2 PRO 67 1HG PRO 67 -8.102 7.418 -5.868 566 HG3 PRO 67 2HG PRO 67 -8.093 6.917 -7.569 567 HD2 PRO 67 1HD PRO 67 -6.551 5.722 -5.691 568 HD3 PRO 67 2HD PRO 67 -6.042 5.881 -7.384 569 H ASP 68 H ASP 68 -5.785 7.836 -3.975 570 HA ASP 68 HA ASP 68 -6.747 10.309 -2.780 571 HB2 ASP 68 1HB ASP 68 -7.873 8.263 -2.125 572 HB3 ASP 68 2HB ASP 68 -6.345 7.543 -1.625 573 H MET 69 H MET 69 -3.940 8.179 -2.659 574 HA MET 69 HA MET 69 -2.632 9.613 -0.562 575 HB2 MET 69 1HB MET 69 -0.642 8.264 -1.235 576 HB3 MET 69 2HB MET 69 -2.071 7.301 -0.888 577 HG2 MET 69 1HG MET 69 -2.513 7.103 -3.287 578 HG3 MET 69 2HG MET 69 -1.064 8.048 -3.623 579 HE1 MET 69 1HE MET 69 -2.480 4.579 -2.383 580 HE2 MET 69 2HE MET 69 -1.033 3.869 -1.669 581 HE3 MET 69 3HE MET 69 -1.767 5.297 -0.939 582 H LEU 70 H LEU 70 -2.341 9.551 -4.094 583 HA LEU 70 HA LEU 70 -0.162 11.064 -4.589 584 HB2 LEU 70 1HB LEU 70 -2.805 10.828 -5.888 585 HB3 LEU 70 2HB LEU 70 -1.815 12.202 -6.374 586 HG LEU 70 HG LEU 70 -1.477 10.413 -7.931 587 HD11 LEU 70 1HD1 LEU 70 0.489 11.803 -6.978 588 HD12 LEU 70 2HD1 LEU 70 0.835 10.391 -7.975 589 HD13 LEU 70 3HD1 LEU 70 0.972 10.284 -6.220 590 HD21 LEU 70 1HD2 LEU 70 -1.275 8.785 -5.464 591 HD22 LEU 70 2HD2 LEU 70 -0.254 8.321 -6.825 592 HD23 LEU 70 3HD2 LEU 70 -2.005 8.400 -7.022 593 H GLN 71 H GLN 71 -3.322 12.308 -3.580 594 HA GLN 71 HA GLN 71 -2.923 15.013 -3.792 595 HB2 GLN 71 1HB GLN 71 -4.439 13.362 -1.797 596 HB3 GLN 71 2HB GLN 71 -4.380 15.113 -1.641 597 HG2 GLN 71 1HG GLN 71 -5.394 13.597 -4.035 598 HG3 GLN 71 2HG GLN 71 -6.389 14.369 -2.802 599 HE21 GLN 71 1HE2 GLN 71 -6.960 16.415 -3.093 600 HE22 GLN 71 2HE2 GLN 71 -6.305 17.480 -4.285 601 H GLN 72 H GLN 72 -2.758 16.496 -1.731 602 HA GLN 72 HA GLN 72 -1.399 17.441 -0.172 603 HB2 GLN 72 1HB GLN 72 -1.012 14.528 0.486 604 HB3 GLN 72 2HB GLN 72 -0.207 15.801 1.394 605 HG2 GLN 72 1HG GLN 72 -2.181 15.151 2.567 606 HG3 GLN 72 2HG GLN 72 -2.421 16.770 1.914 607 HE21 GLN 72 1HE2 GLN 72 -3.167 13.371 1.445 608 HE22 GLN 72 2HE2 GLN 72 -4.623 13.621 0.550 609 H ARG 73 H ARG 73 -0.377 17.327 -2.721 610 HA ARG 73 HA ARG 73 2.491 17.189 -2.159 611 HB2 ARG 73 1HB ARG 73 1.061 15.786 -4.402 612 HB3 ARG 73 2HB ARG 73 2.751 16.249 -4.549 613 HG2 ARG 73 1HG ARG 73 1.707 14.555 -2.297 614 HG3 ARG 73 2HG ARG 73 2.317 13.887 -3.813 615 HD2 ARG 73 1HD ARG 73 4.482 14.863 -3.432 616 HD3 ARG 73 2HD ARG 73 3.890 15.718 -2.008 617 HE ARG 73 HE ARG 73 3.430 13.069 -1.487 618 HH11 ARG 73 2HH1 ARG 73 6.213 15.000 -2.289 619 HH12 ARG 73 1HH1 ARG 73 7.323 13.997 -1.417 620 HH21 ARG 73 2HH2 ARG 73 4.882 11.740 -0.335 621 HH22 ARG 73 1HH2 ARG 73 6.565 12.142 -0.306 622 H ARG 74 H ARG 74 3.774 18.570 -3.448 623 HA ARG 74 HA ARG 74 2.249 20.768 -4.645 624 HB2 ARG 74 1HB ARG 74 4.116 22.167 -4.229 625 HB3 ARG 74 2HB ARG 74 3.922 21.181 -2.786 626 HG2 ARG 74 1HG ARG 74 5.864 20.056 -3.120 627 HG3 ARG 74 2HG ARG 74 5.761 20.177 -4.878 628 HD2 ARG 74 1HD ARG 74 7.458 21.649 -4.518 629 HD3 ARG 74 2HD ARG 74 6.094 22.752 -4.340 630 HE ARG 74 HE ARG 74 6.465 21.907 -1.822 631 HH11 ARG 74 2HH1 ARG 74 8.675 23.124 -4.221 632 HH12 ARG 74 1HH1 ARG 74 9.756 23.821 -3.061 633 HH21 ARG 74 2HH2 ARG 74 7.881 22.820 -0.284 634 HH22 ARG 74 1HH2 ARG 74 9.304 23.647 -0.822 635 H ASN 75 H ASN 75 2.697 18.271 -6.057 636 HA ASN 75 HA ASN 75 4.786 18.614 -7.964 637 HB2 ASN 75 1HB ASN 75 2.427 16.782 -7.707 638 HB3 ASN 75 2HB ASN 75 3.305 16.856 -9.232 639 HD21 ASN 75 1HD2 ASN 75 5.679 16.557 -9.071 640 HD22 ASN 75 2HD2 ASN 75 6.266 15.398 -7.932 641 H ASP 76 H ASP 76 4.817 20.143 -9.463 642 HA ASP 76 HA ASP 76 2.266 21.067 -10.602 643 HB2 ASP 76 1HB ASP 76 4.923 22.425 -10.219 644 HB3 ASP 76 2HB ASP 76 3.742 23.041 -11.371 645 HA PRO 77 HA PRO 77 3.306 19.332 -14.504 646 HB2 PRO 77 1HB PRO 77 1.903 20.990 -16.132 647 HB3 PRO 77 2HB PRO 77 1.134 19.767 -15.115 648 HG2 PRO 77 1HG PRO 77 1.449 22.704 -14.634 649 HG3 PRO 77 2HG PRO 77 0.034 21.671 -14.360 650 HD2 PRO 77 1HD PRO 77 1.693 22.430 -12.359 651 HD3 PRO 77 2HD PRO 77 0.852 20.866 -12.361 652 H SER 78 H SER 78 4.194 19.938 -16.666 653 HA SER 78 HA SER 78 6.163 22.095 -16.350 654 HB2 SER 78 1HB SER 78 7.561 20.918 -17.896 655 HB3 SER 78 2HB SER 78 6.953 19.724 -16.749 656 HG SER 78 HG SER 78 6.089 20.194 -19.404 657 H GLY 79 H GLY 79 6.731 23.361 -18.258 658 HA2 GLY 79 1HA GLY 79 4.630 24.688 -19.415 659 HA3 GLY 79 2HA GLY 79 6.235 24.612 -20.126 660 HA PRO 80 HA PRO 80 2.911 22.297 -22.658 661 HB2 PRO 80 1HB PRO 80 2.432 24.178 -24.556 662 HB3 PRO 80 2HB PRO 80 1.491 24.056 -23.066 663 HG2 PRO 80 1HG PRO 80 3.754 25.899 -23.731 664 HG3 PRO 80 2HG PRO 80 2.228 26.256 -22.901 665 HD2 PRO 80 1HD PRO 80 4.559 25.889 -21.572 666 HD3 PRO 80 2HD PRO 80 2.986 25.431 -20.887 667 H SER 81 H SER 81 5.962 23.516 -22.854 668 HA SER 81 HA SER 81 6.839 23.596 -25.402 669 HB2 SER 81 1HB SER 81 8.174 23.576 -23.165 670 HB3 SER 81 2HB SER 81 8.329 21.845 -23.467 671 HG SER 81 HG SER 81 9.876 22.344 -24.780 672 H SER 82 H SER 82 5.843 22.396 -26.947 673 HA SER 82 HA SER 82 6.684 19.696 -27.292 674 HB2 SER 82 1HB SER 82 3.872 20.239 -26.387 675 HB3 SER 82 2HB SER 82 4.215 18.871 -27.446 676 HG SER 82 HG SER 82 5.355 19.375 -24.895 677 H GLY 83 H GLY 83 6.414 18.984 -29.395 678 HA2 GLY 83 1HA GLY 83 4.755 20.539 -31.219 679 HA3 GLY 83 2HA GLY 83 6.488 20.602 -31.503 Start of MODEL 14 1 H1 GLY 1 H GLY 1 5.368 -26.094 -15.976 2 HA2 GLY 1 1HA GLY 1 4.602 -23.271 -16.284 3 HA3 GLY 1 2HA GLY 1 3.728 -24.499 -17.187 4 H SER 2 H SER 2 2.235 -22.969 -15.618 5 HA SER 2 HA SER 2 1.104 -24.828 -13.777 6 HB2 SER 2 1HB SER 2 3.116 -23.651 -12.565 7 HB3 SER 2 2HB SER 2 1.988 -22.303 -12.425 8 HG SER 2 HG SER 2 0.505 -24.013 -11.555 9 H SER 3 H SER 3 -0.977 -24.251 -13.132 10 HA SER 3 HA SER 3 -2.052 -21.642 -13.557 11 HB2 SER 3 1HB SER 3 -1.893 -22.496 -15.907 12 HB3 SER 3 2HB SER 3 -2.994 -23.799 -15.459 13 HG SER 3 HG SER 3 -3.783 -21.193 -14.871 14 H GLY 4 H GLY 4 -3.965 -21.370 -12.493 15 HA2 GLY 4 1HA GLY 4 -5.532 -23.691 -11.699 16 HA3 GLY 4 2HA GLY 4 -4.747 -22.817 -10.392 17 H SER 5 H SER 5 -7.515 -23.118 -10.560 18 HA SER 5 HA SER 5 -8.364 -20.437 -10.268 19 HB2 SER 5 1HB SER 5 -8.890 -21.776 -12.878 20 HB3 SER 5 2HB SER 5 -10.191 -20.812 -12.178 21 HG SER 5 HG SER 5 -8.941 -19.474 -13.448 22 H SER 6 H SER 6 -10.240 -20.317 -9.119 23 HA SER 6 HA SER 6 -11.792 -22.792 -8.781 24 HB2 SER 6 1HB SER 6 -10.899 -20.949 -6.550 25 HB3 SER 6 2HB SER 6 -11.956 -22.348 -6.363 26 HG SER 6 HG SER 6 -9.524 -22.523 -6.000 27 H GLY 7 H GLY 7 -11.816 -19.380 -7.720 28 HA2 GLY 7 1HA GLY 7 -14.336 -18.927 -9.066 29 HA3 GLY 7 2HA GLY 7 -14.452 -18.948 -7.312 30 H LYS 8 H LYS 8 -14.733 -16.807 -9.458 31 HA LYS 8 HA LYS 8 -12.700 -14.917 -8.507 32 HB2 LYS 8 1HB LYS 8 -13.064 -15.237 -10.977 33 HB3 LYS 8 2HB LYS 8 -14.667 -14.545 -10.769 34 HG2 LYS 8 1HG LYS 8 -13.493 -12.515 -9.787 35 HG3 LYS 8 2HG LYS 8 -12.002 -13.211 -10.427 36 HD2 LYS 8 1HD LYS 8 -14.430 -12.766 -12.145 37 HD3 LYS 8 2HD LYS 8 -13.216 -11.510 -11.890 38 HE2 LYS 8 1HE LYS 8 -11.504 -13.225 -12.653 39 HE3 LYS 8 2HE LYS 8 -12.871 -14.203 -13.184 40 HZ1 LYS 8 1HZ LYS 8 -12.199 -11.467 -14.123 41 HZ2 LYS 8 2HZ LYS 8 -13.573 -12.337 -14.589 42 HZ3 LYS 8 3HZ LYS 8 -12.034 -12.900 -15.007 43 H LYS 9 H LYS 9 -13.549 -14.397 -6.493 44 HA LYS 9 HA LYS 9 -16.220 -13.179 -6.448 45 HB2 LYS 9 1HB LYS 9 -14.442 -14.084 -4.175 46 HB3 LYS 9 2HB LYS 9 -16.037 -13.368 -3.985 47 HG2 LYS 9 1HG LYS 9 -15.762 -15.788 -5.691 48 HG3 LYS 9 2HG LYS 9 -15.691 -15.969 -3.936 49 HD2 LYS 9 1HD LYS 9 -17.942 -16.186 -4.243 50 HD3 LYS 9 2HD LYS 9 -17.847 -14.433 -4.062 51 HE2 LYS 9 1HE LYS 9 -18.046 -14.075 -6.371 52 HE3 LYS 9 2HE LYS 9 -17.661 -15.752 -6.752 53 HZ1 LYS 9 1HZ LYS 9 -19.922 -15.713 -7.027 54 HZ2 LYS 9 2HZ LYS 9 -20.184 -14.603 -5.779 55 HZ3 LYS 9 3HZ LYS 9 -19.820 -16.214 -5.414 56 H ARG 10 H ARG 10 -16.138 -11.070 -6.900 57 HA ARG 10 HA ARG 10 -13.851 -9.464 -6.138 58 HB2 ARG 10 1HB ARG 10 -15.023 -7.646 -7.321 59 HB3 ARG 10 2HB ARG 10 -14.861 -9.086 -8.317 60 HG2 ARG 10 1HG ARG 10 -17.027 -8.566 -8.753 61 HG3 ARG 10 2HG ARG 10 -17.260 -9.600 -7.342 62 HD2 ARG 10 1HD ARG 10 -17.682 -7.801 -5.937 63 HD3 ARG 10 2HD ARG 10 -16.885 -6.651 -7.010 64 HE ARG 10 HE ARG 10 -19.625 -7.398 -7.054 65 HH11 ARG 10 2HH1 ARG 10 -16.963 -6.503 -9.112 66 HH12 ARG 10 1HH1 ARG 10 -17.976 -5.862 -10.362 67 HH21 ARG 10 2HH2 ARG 10 -20.969 -6.557 -8.693 68 HH22 ARG 10 1HH2 ARG 10 -20.254 -5.892 -10.123 69 H LYS 11 H LYS 11 -15.571 -10.627 -4.055 70 HA LYS 11 HA LYS 11 -16.483 -8.132 -2.776 71 HB2 LYS 11 1HB LYS 11 -17.533 -10.936 -2.355 72 HB3 LYS 11 2HB LYS 11 -18.077 -9.505 -1.491 73 HG2 LYS 11 1HG LYS 11 -18.277 -9.827 -4.475 74 HG3 LYS 11 2HG LYS 11 -19.568 -10.251 -3.348 75 HD2 LYS 11 1HD LYS 11 -19.397 -7.868 -2.486 76 HD3 LYS 11 2HD LYS 11 -18.391 -7.536 -3.898 77 HE2 LYS 11 1HE LYS 11 -20.447 -6.959 -4.719 78 HE3 LYS 11 2HE LYS 11 -20.397 -8.660 -5.176 79 HZ1 LYS 11 1HZ LYS 11 -22.198 -7.330 -3.435 80 HZ2 LYS 11 2HZ LYS 11 -21.432 -8.601 -2.624 81 HZ3 LYS 11 3HZ LYS 11 -22.279 -8.901 -4.057 82 H GLY 12 H GLY 12 -16.190 -7.977 -0.472 83 HA2 GLY 12 1HA GLY 12 -15.248 -8.720 1.585 84 HA3 GLY 12 2HA GLY 12 -14.263 -9.865 0.686 85 H ASN 13 H ASN 13 -13.870 -7.425 2.623 86 HA ASN 13 HA ASN 13 -11.702 -6.193 1.052 87 HB2 ASN 13 1HB ASN 13 -13.362 -5.005 3.284 88 HB3 ASN 13 2HB ASN 13 -11.948 -4.227 2.581 89 HD21 ASN 13 1HD2 ASN 13 -12.039 -3.511 0.425 90 HD22 ASN 13 2HD2 ASN 13 -13.552 -3.209 -0.354 91 H LEU 14 H LEU 14 -9.898 -5.337 2.469 92 HA LEU 14 HA LEU 14 -9.193 -7.418 4.408 93 HB2 LEU 14 1HB LEU 14 -7.307 -5.350 3.344 94 HB3 LEU 14 2HB LEU 14 -6.947 -6.952 3.986 95 HG LEU 14 HG LEU 14 -8.445 -6.608 1.409 96 HD11 LEU 14 1HD1 LEU 14 -6.544 -6.358 0.168 97 HD12 LEU 14 2HD1 LEU 14 -5.508 -7.071 1.404 98 HD13 LEU 14 3HD1 LEU 14 -6.102 -5.422 1.596 99 HD21 LEU 14 1HD2 LEU 14 -7.711 -8.802 2.988 100 HD22 LEU 14 2HD2 LEU 14 -6.623 -8.820 1.600 101 HD23 LEU 14 3HD2 LEU 14 -8.370 -8.825 1.352 102 HA PRO 15 HA PRO 15 -9.550 -4.701 7.846 103 HB2 PRO 15 1HB PRO 15 -7.720 -5.814 9.515 104 HB3 PRO 15 2HB PRO 15 -9.283 -6.563 9.166 105 HG2 PRO 15 1HG PRO 15 -6.592 -7.165 8.001 106 HG3 PRO 15 2HG PRO 15 -7.856 -8.287 8.534 107 HD2 PRO 15 1HD PRO 15 -7.466 -7.664 5.928 108 HD3 PRO 15 2HD PRO 15 -9.070 -8.043 6.589 109 H ALA 16 H ALA 16 -8.658 -2.842 8.609 110 HA ALA 16 HA ALA 16 -6.838 -1.361 7.339 111 HB1 ALA 16 1HB ALA 16 -6.471 -1.111 10.233 112 HB2 ALA 16 2HB ALA 16 -7.017 0.077 9.049 113 HB3 ALA 16 3HB ALA 16 -8.155 -1.097 9.710 114 H GLU 17 H GLU 17 -5.839 -3.107 10.289 115 HA GLU 17 HA GLU 17 -3.187 -2.815 10.277 116 HB2 GLU 17 1HB GLU 17 -4.632 -4.344 11.752 117 HB3 GLU 17 2HB GLU 17 -4.316 -5.591 10.554 118 HG2 GLU 17 1HG GLU 17 -1.869 -5.190 10.926 119 HG3 GLU 17 2HG GLU 17 -2.319 -4.159 12.283 120 H SER 18 H SER 18 -4.756 -5.419 8.409 121 HA SER 18 HA SER 18 -2.452 -6.283 7.080 122 HB2 SER 18 1HB SER 18 -4.216 -7.786 6.925 123 HB3 SER 18 2HB SER 18 -5.390 -6.527 6.539 124 HG SER 18 HG SER 18 -4.745 -7.917 4.749 125 H VAL 19 H VAL 19 -4.945 -3.965 6.066 126 HA VAL 19 HA VAL 19 -4.045 -3.387 3.520 127 HB VAL 19 HB VAL 19 -5.228 -1.431 5.496 128 HG11 VAL 19 1HG1 VAL 19 -4.808 0.071 3.899 129 HG12 VAL 19 2HG1 VAL 19 -4.377 -1.175 2.726 130 HG13 VAL 19 3HG1 VAL 19 -6.069 -0.735 2.967 131 HG21 VAL 19 1HG2 VAL 19 -6.712 -2.934 3.364 132 HG22 VAL 19 2HG2 VAL 19 -6.493 -3.597 4.983 133 HG23 VAL 19 3HG2 VAL 19 -7.357 -2.076 4.763 134 H LYS 20 H LYS 20 -3.169 -1.688 6.530 135 HA LYS 20 HA LYS 20 -1.474 0.220 5.679 136 HB2 LYS 20 1HB LYS 20 -1.879 -0.111 8.031 137 HB3 LYS 20 2HB LYS 20 -1.059 -1.667 8.001 138 HG2 LYS 20 1HG LYS 20 1.029 -0.406 7.337 139 HG3 LYS 20 2HG LYS 20 0.149 1.070 7.740 140 HD2 LYS 20 1HD LYS 20 -0.279 0.056 10.009 141 HD3 LYS 20 2HD LYS 20 0.862 -1.216 9.569 142 HE2 LYS 20 1HE LYS 20 2.095 0.385 10.798 143 HE3 LYS 20 2HE LYS 20 2.536 0.615 9.107 144 HZ1 LYS 20 1HZ LYS 20 0.381 2.264 9.522 145 HZ2 LYS 20 2HZ LYS 20 2.000 2.734 9.388 146 HZ3 LYS 20 3HZ LYS 20 1.326 2.448 10.913 147 H ILE 21 H ILE 21 -0.719 -3.225 5.880 148 HA ILE 21 HA ILE 21 2.012 -3.046 5.237 149 HB ILE 21 HB ILE 21 0.019 -5.273 4.860 150 HG12 ILE 21 1HG1 ILE 21 1.781 -6.197 6.642 151 HG13 ILE 21 2HG1 ILE 21 2.007 -4.475 6.930 152 HG21 ILE 21 1HG2 ILE 21 2.589 -6.359 4.781 153 HG22 ILE 21 2HG2 ILE 21 1.429 -6.262 3.457 154 HG23 ILE 21 3HG2 ILE 21 2.627 -4.986 3.675 155 HD11 ILE 21 1HD1 ILE 21 0.172 -4.406 8.156 156 HD12 ILE 21 2HD1 ILE 21 -0.786 -5.071 6.833 157 HD13 ILE 21 3HD1 ILE 21 0.021 -6.153 7.968 158 H LEU 22 H LEU 22 -0.811 -3.681 3.162 159 HA LEU 22 HA LEU 22 0.679 -3.759 0.748 160 HB2 LEU 22 1HB LEU 22 -2.252 -3.271 1.249 161 HB3 LEU 22 2HB LEU 22 -1.541 -3.524 -0.343 162 HG LEU 22 HG LEU 22 -1.606 -5.536 1.906 163 HD11 LEU 22 1HD1 LEU 22 -3.326 -5.034 -0.466 164 HD12 LEU 22 2HD1 LEU 22 -3.757 -5.599 1.148 165 HD13 LEU 22 3HD1 LEU 22 -3.002 -6.704 0.000 166 HD21 LEU 22 1HD2 LEU 22 0.342 -6.000 0.697 167 HD22 LEU 22 2HD2 LEU 22 -0.405 -5.582 -0.845 168 HD23 LEU 22 3HD2 LEU 22 -0.874 -7.063 -0.010 169 H ARG 23 H ARG 23 -1.491 -1.267 2.092 170 HA ARG 23 HA ARG 23 -1.233 0.686 0.200 171 HB2 ARG 23 1HB ARG 23 -1.640 0.741 3.152 172 HB3 ARG 23 2HB ARG 23 -1.296 2.263 2.339 173 HG2 ARG 23 1HG ARG 23 -3.208 1.829 0.823 174 HG3 ARG 23 2HG ARG 23 -3.582 0.390 1.774 175 HD2 ARG 23 1HD ARG 23 -4.990 2.066 2.624 176 HD3 ARG 23 2HD ARG 23 -3.673 1.939 3.789 177 HE ARG 23 HE ARG 23 -3.308 3.953 1.751 178 HH11 ARG 23 2HH1 ARG 23 -4.511 3.227 4.936 179 HH12 ARG 23 1HH1 ARG 23 -4.436 4.870 5.481 180 HH21 ARG 23 2HH2 ARG 23 -3.204 6.120 2.457 181 HH22 ARG 23 1HH2 ARG 23 -3.693 6.515 4.070 182 H ASP 24 H ASP 24 0.793 0.518 3.135 183 HA ASP 24 HA ASP 24 2.578 2.485 2.703 184 HB2 ASP 24 1HB ASP 24 2.517 0.622 4.530 185 HB3 ASP 24 2HB ASP 24 3.655 -0.207 3.472 186 H TRP 25 H TRP 25 2.663 -0.697 1.153 187 HA TRP 25 HA TRP 25 5.051 -0.148 -0.324 188 HB2 TRP 25 1HB TRP 25 4.461 -2.443 0.216 189 HB3 TRP 25 2HB TRP 25 2.945 -2.293 -0.668 190 HD1 TRP 25 HD TRP 25 6.548 -3.194 -1.124 191 HE1 TRP 25 1HE TRP 25 7.007 -3.735 -3.599 192 HE3 TRP 25 3HE TRP 25 2.169 -1.505 -3.150 193 HZ2 TRP 25 2HZ TRP 25 5.688 -3.479 -6.081 194 HZ3 TRP 25 3HZ TRP 25 1.846 -1.689 -5.582 195 HH2 TRP 25 HH TRP 25 3.571 -2.655 -7.016 196 H MET 26 H MET 26 1.588 -0.062 -1.034 197 HA MET 26 HA MET 26 1.700 0.372 -3.777 198 HB2 MET 26 1HB MET 26 -0.408 -0.078 -2.745 199 HB3 MET 26 2HB MET 26 -0.272 1.333 -1.705 200 HG2 MET 26 1HG MET 26 -1.720 2.131 -3.262 201 HG3 MET 26 2HG MET 26 -0.192 2.609 -3.999 202 HE1 MET 26 1HE MET 26 -3.462 0.015 -5.297 203 HE2 MET 26 2HE MET 26 -3.336 1.447 -4.277 204 HE3 MET 26 3HE MET 26 -3.312 1.611 -6.033 205 H TYR 27 H TYR 27 2.332 2.541 -1.128 206 HA TYR 27 HA TYR 27 2.111 4.982 -2.532 207 HB2 TYR 27 1HB TYR 27 2.205 4.689 -0.023 208 HB3 TYR 27 2HB TYR 27 3.938 4.434 -0.190 209 HD1 TYR 27 2HD TYR 27 1.636 6.879 -1.824 210 HD2 TYR 27 1HD TYR 27 5.009 6.284 0.700 211 HE1 TYR 27 2HE TYR 27 1.995 9.311 -1.741 212 HE2 TYR 27 1HE TYR 27 5.377 8.714 0.791 213 HH TYR 27 HH TYR 27 4.384 10.743 0.384 214 H LYS 28 H LYS 28 4.957 3.000 -1.723 215 HA LYS 28 HA LYS 28 6.879 4.559 -3.000 216 HB2 LYS 28 1HB LYS 28 6.859 1.550 -2.700 217 HB3 LYS 28 2HB LYS 28 8.273 2.546 -3.017 218 HG2 LYS 28 1HG LYS 28 8.154 3.546 -0.864 219 HG3 LYS 28 2HG LYS 28 6.572 2.828 -0.553 220 HD2 LYS 28 1HD LYS 28 7.445 0.761 -0.113 221 HD3 LYS 28 2HD LYS 28 8.830 0.999 -1.180 222 HE2 LYS 28 1HE LYS 28 8.504 2.515 1.395 223 HE3 LYS 28 2HE LYS 28 9.286 0.936 1.326 224 HZ1 LYS 28 1HZ LYS 28 10.454 3.386 0.864 225 HZ2 LYS 28 2HZ LYS 28 10.329 2.670 -0.663 226 HZ3 LYS 28 3HZ LYS 28 11.141 1.865 0.584 227 H HIS 29 H HIS 29 5.045 1.784 -4.264 228 HA HIS 29 HA HIS 29 6.076 2.284 -6.941 229 HB2 HIS 29 1HB HIS 29 4.093 0.172 -6.084 230 HB3 HIS 29 2HB HIS 29 5.046 0.207 -7.565 231 HD1 HIS 29 1HD HIS 29 7.000 -1.291 -7.498 232 HD2 HIS 29 2HD HIS 29 5.975 0.064 -3.706 233 HE1 HIS 29 1HE HIS 29 8.611 -2.412 -5.925 234 HE2 HIS 29 2HE HIS 29 7.916 -1.643 -3.629 235 H ARG 30 H ARG 30 3.784 3.685 -5.168 236 HA ARG 30 HA ARG 30 1.356 3.675 -6.288 237 HB2 ARG 30 1HB ARG 30 1.081 5.959 -5.697 238 HB3 ARG 30 2HB ARG 30 2.222 5.283 -4.543 239 HG2 ARG 30 1HG ARG 30 4.069 6.311 -5.682 240 HG3 ARG 30 2HG ARG 30 3.008 6.867 -6.978 241 HD2 ARG 30 1HD ARG 30 1.770 8.227 -5.320 242 HD3 ARG 30 2HD ARG 30 2.930 7.730 -4.090 243 HE ARG 30 HE ARG 30 3.297 9.741 -6.081 244 HH11 ARG 30 2HH1 ARG 30 4.951 7.347 -4.169 245 HH12 ARG 30 1HH1 ARG 30 6.475 8.169 -4.220 246 HH21 ARG 30 2HH2 ARG 30 5.298 10.833 -6.155 247 HH22 ARG 30 1HH2 ARG 30 6.671 10.153 -5.350 248 H PHE 31 H PHE 31 4.215 5.149 -7.752 249 HA PHE 31 HA PHE 31 3.198 6.499 -9.878 250 HB2 PHE 31 1HB PHE 31 5.636 4.743 -9.684 251 HB3 PHE 31 2HB PHE 31 5.258 5.629 -11.158 252 HD1 PHE 31 1HD PHE 31 4.584 8.206 -10.610 253 HD2 PHE 31 2HD PHE 31 7.168 5.728 -8.307 254 HE1 PHE 31 1HE PHE 31 5.677 10.208 -9.687 255 HE2 PHE 31 2HE PHE 31 8.263 7.726 -7.380 256 HZ PHE 31 HZ PHE 31 7.518 9.970 -8.069 257 H LYS 32 H LYS 32 3.827 2.999 -9.790 258 HA LYS 32 HA LYS 32 2.315 2.684 -12.278 259 HB2 LYS 32 1HB LYS 32 3.202 0.386 -12.287 260 HB3 LYS 32 2HB LYS 32 4.485 1.585 -12.204 261 HG2 LYS 32 1HG LYS 32 4.594 1.210 -9.749 262 HG3 LYS 32 2HG LYS 32 3.428 -0.100 -9.946 263 HD2 LYS 32 1HD LYS 32 5.408 -1.265 -10.019 264 HD3 LYS 32 2HD LYS 32 5.147 -0.946 -11.736 265 HE2 LYS 32 1HE LYS 32 6.545 1.177 -11.333 266 HE3 LYS 32 2HE LYS 32 7.042 0.393 -9.834 267 HZ1 LYS 32 1HZ LYS 32 8.443 -0.901 -10.940 268 HZ2 LYS 32 2HZ LYS 32 8.152 0.036 -12.318 269 HZ3 LYS 32 3HZ LYS 32 7.259 -1.376 -12.052 270 H ALA 33 H ALA 33 2.408 1.465 -8.947 271 HA ALA 33 HA ALA 33 0.733 0.723 -7.582 272 HB1 ALA 33 1HB ALA 33 -1.250 1.705 -7.842 273 HB2 ALA 33 2HB ALA 33 -0.581 2.434 -9.303 274 HB3 ALA 33 3HB ALA 33 -1.512 0.940 -9.410 275 H TYR 34 H TYR 34 2.181 -1.158 -8.818 276 HA TYR 34 HA TYR 34 0.347 -3.361 -8.971 277 HB2 TYR 34 1HB TYR 34 1.782 -2.396 -11.431 278 HB3 TYR 34 2HB TYR 34 1.344 -4.090 -11.242 279 HD1 TYR 34 1HD TYR 34 -1.193 -4.483 -10.560 280 HD2 TYR 34 2HD TYR 34 0.289 -1.000 -12.504 281 HE1 TYR 34 1HE TYR 34 -3.454 -3.996 -11.397 282 HE2 TYR 34 2HE TYR 34 -1.968 -0.503 -13.346 283 HH TYR 34 HH TYR 34 -4.189 -2.255 -13.798 284 HA PRO 35 HA PRO 35 4.208 -4.703 -7.064 285 HB2 PRO 35 1HB PRO 35 3.099 -6.846 -5.820 286 HB3 PRO 35 2HB PRO 35 2.979 -5.200 -5.187 287 HG2 PRO 35 1HG PRO 35 0.976 -6.776 -6.757 288 HG3 PRO 35 2HG PRO 35 0.723 -5.741 -5.340 289 HD2 PRO 35 1HD PRO 35 0.194 -4.912 -7.863 290 HD3 PRO 35 2HD PRO 35 0.752 -3.806 -6.592 291 H SER 36 H SER 36 5.422 -6.750 -7.120 292 HA SER 36 HA SER 36 4.967 -8.132 -9.662 293 HB2 SER 36 1HB SER 36 7.375 -7.633 -7.954 294 HB3 SER 36 2HB SER 36 7.372 -9.015 -9.049 295 HG SER 36 HG SER 36 7.351 -7.700 -10.745 296 H GLU 37 H GLU 37 5.157 -10.425 -9.811 297 HA GLU 37 HA GLU 37 3.626 -11.933 -8.184 298 HB2 GLU 37 1HB GLU 37 4.251 -13.088 -10.066 299 HB3 GLU 37 2HB GLU 37 5.934 -12.594 -9.942 300 HG2 GLU 37 1HG GLU 37 6.463 -14.272 -8.461 301 HG3 GLU 37 2HG GLU 37 4.798 -14.459 -7.914 302 H GLU 38 H GLU 38 6.832 -10.833 -7.502 303 HA GLU 38 HA GLU 38 7.214 -12.666 -5.289 304 HB2 GLU 38 1HB GLU 38 8.848 -10.570 -6.633 305 HB3 GLU 38 2HB GLU 38 9.229 -10.954 -4.960 306 HG2 GLU 38 1HG GLU 38 10.613 -12.404 -6.035 307 HG3 GLU 38 2HG GLU 38 9.186 -13.421 -5.846 308 H GLU 39 H GLU 39 6.743 -9.172 -5.737 309 HA GLU 39 HA GLU 39 6.837 -8.334 -3.117 310 HB2 GLU 39 1HB GLU 39 4.951 -7.340 -5.261 311 HB3 GLU 39 2HB GLU 39 5.383 -6.474 -3.794 312 HG2 GLU 39 1HG GLU 39 7.280 -7.244 -6.000 313 HG3 GLU 39 2HG GLU 39 6.598 -5.640 -5.735 314 H LYS 40 H LYS 40 3.980 -9.492 -4.894 315 HA LYS 40 HA LYS 40 2.120 -9.256 -2.835 316 HB2 LYS 40 1HB LYS 40 1.895 -11.595 -4.658 317 HB3 LYS 40 2HB LYS 40 0.680 -10.411 -4.194 318 HG2 LYS 40 1HG LYS 40 1.998 -8.754 -5.616 319 HG3 LYS 40 2HG LYS 40 2.830 -10.167 -6.269 320 HD2 LYS 40 1HD LYS 40 0.626 -11.113 -6.901 321 HD3 LYS 40 2HD LYS 40 -0.137 -9.620 -6.349 322 HE2 LYS 40 1HE LYS 40 1.039 -8.344 -8.013 323 HE3 LYS 40 2HE LYS 40 1.986 -9.753 -8.486 324 HZ1 LYS 40 1HZ LYS 40 -0.587 -8.948 -9.370 325 HZ2 LYS 40 2HZ LYS 40 -0.650 -10.511 -8.727 326 HZ3 LYS 40 3HZ LYS 40 0.424 -10.157 -9.986 327 H GLN 41 H GLN 41 3.620 -12.318 -3.888 328 HA GLN 41 HA GLN 41 2.845 -13.956 -1.870 329 HB2 GLN 41 1HB GLN 41 4.330 -14.477 -3.892 330 HB3 GLN 41 2HB GLN 41 5.684 -14.002 -2.875 331 HG2 GLN 41 1HG GLN 41 5.489 -16.372 -2.802 332 HG3 GLN 41 2HG GLN 41 4.987 -15.731 -1.238 333 HE21 GLN 41 1HE2 GLN 41 2.989 -16.157 -0.504 334 HE22 GLN 41 2HE2 GLN 41 1.796 -17.056 -1.371 335 H MET 42 H MET 42 5.181 -11.387 -1.683 336 HA MET 42 HA MET 42 6.293 -12.204 0.834 337 HB2 MET 42 1HB MET 42 7.793 -10.898 -0.337 338 HB3 MET 42 2HB MET 42 6.545 -9.817 -0.941 339 HG2 MET 42 1HG MET 42 6.318 -8.905 1.366 340 HG3 MET 42 2HG MET 42 7.710 -9.882 1.829 341 HE1 MET 42 1HE MET 42 6.865 -6.192 0.599 342 HE2 MET 42 2HE MET 42 7.608 -6.302 -0.997 343 HE3 MET 42 3HE MET 42 6.285 -7.385 -0.564 344 H LEU 43 H LEU 43 4.022 -9.666 -0.196 345 HA LEU 43 HA LEU 43 3.506 -8.675 2.396 346 HB2 LEU 43 1HB LEU 43 1.675 -8.592 0.005 347 HB3 LEU 43 2HB LEU 43 1.631 -7.528 1.409 348 HG LEU 43 HG LEU 43 4.103 -7.581 -0.250 349 HD11 LEU 43 1HD1 LEU 43 2.339 -7.451 -1.916 350 HD12 LEU 43 2HD1 LEU 43 3.162 -5.899 -1.759 351 HD13 LEU 43 3HD1 LEU 43 1.575 -6.133 -1.027 352 HD21 LEU 43 1HD2 LEU 43 3.235 -6.151 1.938 353 HD22 LEU 43 2HD2 LEU 43 2.964 -5.041 0.595 354 HD23 LEU 43 3HD2 LEU 43 4.572 -5.712 0.874 355 H SER 44 H SER 44 1.829 -11.061 0.381 356 HA SER 44 HA SER 44 -0.410 -11.542 1.898 357 HB2 SER 44 1HB SER 44 -0.680 -13.472 0.668 358 HB3 SER 44 2HB SER 44 0.511 -12.644 -0.335 359 HG SER 44 HG SER 44 0.933 -14.732 1.526 360 H GLU 45 H GLU 45 2.875 -12.274 2.650 361 HA GLU 45 HA GLU 45 2.337 -14.285 4.614 362 HB2 GLU 45 1HB GLU 45 4.771 -12.605 4.018 363 HB3 GLU 45 2HB GLU 45 4.729 -13.804 5.303 364 HG2 GLU 45 1HG GLU 45 4.053 -15.471 3.504 365 HG3 GLU 45 2HG GLU 45 4.538 -14.236 2.344 366 H LYS 46 H LYS 46 3.022 -10.811 4.710 367 HA LYS 46 HA LYS 46 2.883 -10.659 7.568 368 HB2 LYS 46 1HB LYS 46 2.713 -8.433 5.529 369 HB3 LYS 46 2HB LYS 46 3.032 -8.245 7.248 370 HG2 LYS 46 1HG LYS 46 5.190 -8.933 7.067 371 HG3 LYS 46 2HG LYS 46 4.853 -10.000 5.703 372 HD2 LYS 46 1HD LYS 46 4.760 -8.156 4.189 373 HD3 LYS 46 2HD LYS 46 4.811 -6.992 5.516 374 HE2 LYS 46 1HE LYS 46 6.981 -7.132 4.451 375 HE3 LYS 46 2HE LYS 46 7.071 -7.777 6.090 376 HZ1 LYS 46 1HZ LYS 46 8.213 -9.332 4.848 377 HZ2 LYS 46 2HZ LYS 46 7.164 -9.226 3.526 378 HZ3 LYS 46 3HZ LYS 46 6.671 -10.023 4.934 379 H THR 47 H THR 47 0.689 -9.935 4.894 380 HA THR 47 HA THR 47 -1.397 -8.997 6.654 381 HB THR 47 HB THR 47 -2.774 -8.831 4.630 382 HG1 THR 47 1HG THR 47 -1.216 -10.709 3.713 383 HG21 THR 47 1HG2 THR 47 -1.450 -6.917 5.016 384 HG22 THR 47 2HG2 THR 47 -1.215 -7.302 3.311 385 HG23 THR 47 3HG2 THR 47 0.023 -7.731 4.491 386 H ASN 48 H ASN 48 -0.397 -12.004 5.300 387 HA ASN 48 HA ASN 48 -1.141 -14.132 5.646 388 HB2 ASN 48 1HB ASN 48 -1.721 -13.177 7.951 389 HB3 ASN 48 2HB ASN 48 -3.369 -13.024 7.349 390 HD21 ASN 48 1HD2 ASN 48 -2.284 -14.672 9.504 391 HD22 ASN 48 2HD2 ASN 48 -2.712 -16.301 9.115 392 H LEU 49 H LEU 49 -2.130 -12.365 3.523 393 HA LEU 49 HA LEU 49 -4.808 -13.476 3.055 394 HB2 LEU 49 1HB LEU 49 -3.463 -11.348 1.419 395 HB3 LEU 49 2HB LEU 49 -5.179 -11.738 1.505 396 HG LEU 49 HG LEU 49 -3.677 -10.621 3.857 397 HD11 LEU 49 1HD1 LEU 49 -4.529 -9.273 1.403 398 HD12 LEU 49 2HD1 LEU 49 -3.393 -8.758 2.649 399 HD13 LEU 49 3HD1 LEU 49 -5.126 -8.531 2.887 400 HD21 LEU 49 1HD2 LEU 49 -5.908 -11.746 4.143 401 HD22 LEU 49 2HD2 LEU 49 -6.599 -10.464 3.148 402 HD23 LEU 49 3HD2 LEU 49 -5.832 -10.070 4.687 403 H SER 50 H SER 50 -5.067 -13.513 0.411 404 HA SER 50 HA SER 50 -2.974 -15.382 -0.488 405 HB2 SER 50 1HB SER 50 -5.952 -15.373 -0.883 406 HB3 SER 50 2HB SER 50 -4.905 -16.205 -2.032 407 HG SER 50 HG SER 50 -5.799 -17.210 0.146 408 H LEU 51 H LEU 51 -1.982 -15.029 -2.394 409 HA LEU 51 HA LEU 51 -1.621 -12.678 -3.577 410 HB2 LEU 51 1HB LEU 51 -1.830 -15.370 -4.893 411 HB3 LEU 51 2HB LEU 51 -1.336 -13.930 -5.783 412 HG LEU 51 HG LEU 51 0.530 -13.695 -4.073 413 HD11 LEU 51 1HD1 LEU 51 0.105 -15.024 -2.278 414 HD12 LEU 51 2HD1 LEU 51 1.081 -16.145 -3.226 415 HD13 LEU 51 3HD1 LEU 51 -0.677 -16.275 -3.244 416 HD21 LEU 51 1HD2 LEU 51 0.793 -16.248 -5.605 417 HD22 LEU 51 2HD2 LEU 51 1.964 -14.948 -5.380 418 HD23 LEU 51 3HD2 LEU 51 0.588 -14.719 -6.461 419 H LEU 52 H LEU 52 -4.363 -14.801 -4.255 420 HA LEU 52 HA LEU 52 -5.492 -13.389 -6.377 421 HB2 LEU 52 1HB LEU 52 -6.339 -15.533 -5.901 422 HB3 LEU 52 2HB LEU 52 -6.684 -15.112 -4.225 423 HG LEU 52 HG LEU 52 -8.504 -13.635 -5.006 424 HD11 LEU 52 1HD1 LEU 52 -7.701 -14.710 -7.698 425 HD12 LEU 52 2HD1 LEU 52 -7.797 -13.026 -7.183 426 HD13 LEU 52 3HD1 LEU 52 -9.271 -13.974 -7.377 427 HD21 LEU 52 1HD2 LEU 52 -8.766 -16.106 -4.425 428 HD22 LEU 52 2HD2 LEU 52 -8.880 -16.381 -6.163 429 HD23 LEU 52 3HD2 LEU 52 -10.062 -15.352 -5.353 430 H GLN 53 H GLN 53 -6.088 -13.071 -2.885 431 HA GLN 53 HA GLN 53 -7.918 -10.904 -3.186 432 HB2 GLN 53 1HB GLN 53 -6.444 -12.065 -0.831 433 HB3 GLN 53 2HB GLN 53 -7.459 -10.637 -0.674 434 HG2 GLN 53 1HG GLN 53 -9.229 -12.185 -1.859 435 HG3 GLN 53 2HG GLN 53 -8.217 -13.461 -1.185 436 HE21 GLN 53 1HE2 GLN 53 -7.621 -13.038 1.187 437 HE22 GLN 53 2HE2 GLN 53 -8.927 -12.555 2.209 438 H ILE 54 H ILE 54 -4.463 -11.179 -2.768 439 HA ILE 54 HA ILE 54 -3.858 -8.589 -1.922 440 HB ILE 54 HB ILE 54 -2.231 -10.388 -3.722 441 HG12 ILE 54 1HG1 ILE 54 -2.818 -11.388 -1.538 442 HG13 ILE 54 2HG1 ILE 54 -1.092 -11.069 -1.677 443 HG21 ILE 54 1HG2 ILE 54 -0.799 -8.703 -3.904 444 HG22 ILE 54 2HG2 ILE 54 -1.801 -7.692 -2.866 445 HG23 ILE 54 3HG2 ILE 54 -0.577 -8.743 -2.155 446 HD11 ILE 54 1HD1 ILE 54 -1.612 -10.378 0.470 447 HD12 ILE 54 2HD1 ILE 54 -1.619 -8.874 -0.453 448 HD13 ILE 54 3HD1 ILE 54 -3.142 -9.654 -0.027 449 H SER 55 H SER 55 -3.408 -9.780 -5.254 450 HA SER 55 HA SER 55 -3.157 -7.270 -6.433 451 HB2 SER 55 1HB SER 55 -2.747 -9.686 -7.383 452 HB3 SER 55 2HB SER 55 -4.408 -9.529 -7.955 453 HG SER 55 HG SER 55 -3.734 -7.559 -8.983 454 H ASN 56 H ASN 56 -6.037 -9.336 -6.144 455 HA ASN 56 HA ASN 56 -7.875 -7.827 -7.514 456 HB2 ASN 56 1HB ASN 56 -8.184 -9.489 -5.016 457 HB3 ASN 56 2HB ASN 56 -9.560 -8.743 -5.823 458 HD21 ASN 56 1HD2 ASN 56 -9.908 -11.243 -5.723 459 HD22 ASN 56 2HD2 ASN 56 -9.484 -12.080 -7.174 460 H TRP 57 H TRP 57 -6.742 -7.380 -4.197 461 HA TRP 57 HA TRP 57 -8.532 -5.312 -3.503 462 HB2 TRP 57 1HB TRP 57 -7.435 -6.380 -1.709 463 HB3 TRP 57 2HB TRP 57 -5.847 -6.161 -2.439 464 HD1 TRP 57 HD TRP 57 -8.470 -4.325 -0.364 465 HE1 TRP 57 1HE TRP 57 -7.418 -2.178 0.590 466 HE3 TRP 57 3HE TRP 57 -4.034 -4.396 -2.905 467 HZ2 TRP 57 2HZ TRP 57 -5.025 -0.709 0.304 468 HZ3 TRP 57 3HZ TRP 57 -2.418 -2.583 -2.508 469 HH2 TRP 57 HH TRP 57 -2.906 -0.778 -0.937 470 H PHE 58 H PHE 58 -5.229 -5.250 -4.801 471 HA PHE 58 HA PHE 58 -4.788 -2.514 -4.756 472 HB2 PHE 58 1HB PHE 58 -3.760 -4.773 -6.398 473 HB3 PHE 58 2HB PHE 58 -3.441 -3.141 -6.975 474 HD1 PHE 58 1HD PHE 58 -2.778 -5.586 -4.342 475 HD2 PHE 58 2HD PHE 58 -1.974 -1.656 -5.765 476 HE1 PHE 58 1HE PHE 58 -0.877 -5.416 -2.789 477 HE2 PHE 58 2HE PHE 58 -0.072 -1.480 -4.215 478 HZ PHE 58 HZ PHE 58 0.480 -3.362 -2.725 479 H ILE 59 H ILE 59 -6.549 -4.467 -7.095 480 HA ILE 59 HA ILE 59 -6.866 -2.686 -9.172 481 HB ILE 59 HB ILE 59 -8.936 -4.601 -8.092 482 HG12 ILE 59 1HG1 ILE 59 -7.127 -5.039 -10.457 483 HG13 ILE 59 2HG1 ILE 59 -6.608 -5.450 -8.826 484 HG21 ILE 59 1HG2 ILE 59 -8.780 -3.025 -10.639 485 HG22 ILE 59 2HG2 ILE 59 -9.698 -4.527 -10.537 486 HG23 ILE 59 3HG2 ILE 59 -10.121 -3.163 -9.502 487 HD11 ILE 59 1HD1 ILE 59 -7.452 -7.452 -9.458 488 HD12 ILE 59 2HD1 ILE 59 -8.928 -6.727 -8.821 489 HD13 ILE 59 3HD1 ILE 59 -8.629 -6.736 -10.559 490 H ASN 60 H ASN 60 -9.280 -3.162 -6.584 491 HA ASN 60 HA ASN 60 -10.696 -0.789 -7.210 492 HB2 ASN 60 1HB ASN 60 -10.805 -2.076 -4.500 493 HB3 ASN 60 2HB ASN 60 -12.102 -1.322 -5.423 494 HD21 ASN 60 1HD2 ASN 60 -12.540 -2.455 -7.569 495 HD22 ASN 60 2HD2 ASN 60 -12.612 -4.181 -7.509 496 H ALA 61 H ALA 61 -8.023 -1.511 -5.092 497 HA ALA 61 HA ALA 61 -8.138 0.775 -3.451 498 HB1 ALA 61 1HB ALA 61 -6.071 0.143 -2.641 499 HB2 ALA 61 2HB ALA 61 -6.713 -1.388 -3.238 500 HB3 ALA 61 3HB ALA 61 -5.536 -0.490 -4.198 501 H ARG 62 H ARG 62 -6.624 0.177 -6.582 502 HA ARG 62 HA ARG 62 -5.237 2.654 -6.713 503 HB2 ARG 62 1HB ARG 62 -6.089 0.741 -8.892 504 HB3 ARG 62 2HB ARG 62 -5.031 2.123 -9.143 505 HG2 ARG 62 1HG ARG 62 -3.276 1.158 -7.998 506 HG3 ARG 62 2HG ARG 62 -4.330 0.070 -7.094 507 HD2 ARG 62 1HD ARG 62 -3.016 -1.114 -8.800 508 HD3 ARG 62 2HD ARG 62 -4.750 -1.232 -9.093 509 HE ARG 62 HE ARG 62 -2.810 0.274 -10.673 510 HH11 ARG 62 2HH1 ARG 62 -6.112 -0.675 -10.107 511 HH12 ARG 62 1HH1 ARG 62 -6.654 -0.206 -11.685 512 HH21 ARG 62 2HH2 ARG 62 -3.512 0.896 -12.752 513 HH22 ARG 62 1HH2 ARG 62 -5.174 0.687 -13.188 514 H ARG 63 H ARG 63 -8.451 2.112 -6.613 515 HA ARG 63 HA ARG 63 -9.131 4.245 -8.512 516 HB2 ARG 63 1HB ARG 63 -10.698 2.021 -7.252 517 HB3 ARG 63 2HB ARG 63 -11.531 3.445 -7.862 518 HG2 ARG 63 1HG ARG 63 -10.813 3.037 -10.074 519 HG3 ARG 63 2HG ARG 63 -9.643 1.826 -9.545 520 HD2 ARG 63 1HD ARG 63 -11.753 0.614 -8.603 521 HD3 ARG 63 2HD ARG 63 -12.617 1.631 -9.756 522 HE ARG 63 HE ARG 63 -10.424 0.279 -10.971 523 HH11 ARG 63 2HH1 ARG 63 -13.706 -0.129 -9.886 524 HH12 ARG 63 1HH1 ARG 63 -14.052 -1.412 -10.998 525 HH21 ARG 63 2HH2 ARG 63 -10.867 -1.408 -12.440 526 HH22 ARG 63 1HH2 ARG 63 -12.436 -2.139 -12.450 527 H ARG 64 H ARG 64 -8.935 3.485 -5.152 528 HA ARG 64 HA ARG 64 -10.075 6.125 -4.513 529 HB2 ARG 64 1HB ARG 64 -11.340 3.907 -3.806 530 HB3 ARG 64 2HB ARG 64 -10.164 3.925 -2.499 531 HG2 ARG 64 1HG ARG 64 -11.689 6.413 -3.063 532 HG3 ARG 64 2HG ARG 64 -12.510 5.078 -2.251 533 HD2 ARG 64 1HD ARG 64 -10.699 5.044 -0.565 534 HD3 ARG 64 2HD ARG 64 -9.978 6.448 -1.352 535 HE ARG 64 HE ARG 64 -12.576 7.159 -0.785 536 HH11 ARG 64 2HH1 ARG 64 -9.787 6.119 1.019 537 HH12 ARG 64 1HH1 ARG 64 -10.222 6.996 2.448 538 HH21 ARG 64 2HH2 ARG 64 -13.160 8.319 1.091 539 HH22 ARG 64 1HH2 ARG 64 -12.141 8.246 2.488 540 H ILE 65 H ILE 65 -7.816 3.583 -3.520 541 HA ILE 65 HA ILE 65 -6.505 5.190 -1.559 542 HB ILE 65 HB ILE 65 -5.583 2.661 -2.930 543 HG12 ILE 65 1HG1 ILE 65 -6.971 3.175 -0.294 544 HG13 ILE 65 2HG1 ILE 65 -7.593 2.262 -1.665 545 HG21 ILE 65 1HG2 ILE 65 -4.345 2.839 -0.461 546 HG22 ILE 65 2HG2 ILE 65 -3.596 3.113 -2.033 547 HG23 ILE 65 3HG2 ILE 65 -4.238 4.474 -1.113 548 HD11 ILE 65 1HD1 ILE 65 -6.785 0.421 -0.757 549 HD12 ILE 65 2HD1 ILE 65 -5.153 1.069 -0.928 550 HD13 ILE 65 3HD1 ILE 65 -6.063 1.353 0.555 551 H LEU 66 H LEU 66 -5.294 3.893 -4.658 552 HA LEU 66 HA LEU 66 -2.945 5.204 -4.901 553 HB2 LEU 66 1HB LEU 66 -3.554 3.721 -6.615 554 HB3 LEU 66 2HB LEU 66 -5.034 4.608 -6.970 555 HG LEU 66 HG LEU 66 -3.891 6.268 -8.158 556 HD11 LEU 66 1HD1 LEU 66 -1.200 5.859 -8.116 557 HD12 LEU 66 2HD1 LEU 66 -1.646 5.485 -6.452 558 HD13 LEU 66 3HD1 LEU 66 -2.058 7.054 -7.143 559 HD21 LEU 66 1HD2 LEU 66 -2.091 4.057 -8.955 560 HD22 LEU 66 2HD2 LEU 66 -3.137 5.082 -9.938 561 HD23 LEU 66 3HD2 LEU 66 -3.826 3.744 -9.017 562 HA PRO 67 HA PRO 67 -5.154 9.158 -6.635 563 HB2 PRO 67 1HB PRO 67 -7.810 9.378 -6.119 564 HB3 PRO 67 2HB PRO 67 -7.176 8.616 -7.582 565 HG2 PRO 67 1HG PRO 67 -8.165 7.343 -5.059 566 HG3 PRO 67 2HG PRO 67 -8.465 6.872 -6.742 567 HD2 PRO 67 1HD PRO 67 -6.636 5.623 -5.183 568 HD3 PRO 67 2HD PRO 67 -6.432 5.804 -6.937 569 H ASP 68 H ASP 68 -5.964 7.687 -3.596 570 HA ASP 68 HA ASP 68 -6.465 10.187 -2.241 571 HB2 ASP 68 1HB ASP 68 -6.444 7.306 -1.485 572 HB3 ASP 68 2HB ASP 68 -6.186 8.487 -0.203 573 H MET 69 H MET 69 -3.807 7.920 -2.613 574 HA MET 69 HA MET 69 -2.144 9.393 -0.737 575 HB2 MET 69 1HB MET 69 -0.424 7.669 -1.364 576 HB3 MET 69 2HB MET 69 -1.893 7.022 -0.646 577 HG2 MET 69 1HG MET 69 -2.657 6.177 -2.684 578 HG3 MET 69 2HG MET 69 -1.539 7.171 -3.615 579 HE1 MET 69 1HE MET 69 -0.118 3.831 -0.840 580 HE2 MET 69 2HE MET 69 -1.400 5.007 -0.550 581 HE3 MET 69 3HE MET 69 -1.715 3.587 -1.547 582 H LEU 70 H LEU 70 -2.460 8.870 -4.199 583 HA LEU 70 HA LEU 70 -0.046 10.158 -4.948 584 HB2 LEU 70 1HB LEU 70 -0.986 8.726 -6.543 585 HB3 LEU 70 2HB LEU 70 -2.579 9.465 -6.396 586 HG LEU 70 HG LEU 70 -1.692 11.491 -7.517 587 HD11 LEU 70 1HD1 LEU 70 0.782 9.794 -7.751 588 HD12 LEU 70 2HD1 LEU 70 0.625 11.389 -7.015 589 HD13 LEU 70 3HD1 LEU 70 0.469 11.205 -8.762 590 HD21 LEU 70 1HD2 LEU 70 -1.502 10.453 -9.769 591 HD22 LEU 70 2HD2 LEU 70 -2.886 9.882 -8.836 592 HD23 LEU 70 3HD2 LEU 70 -1.448 8.872 -8.989 593 H GLN 71 H GLN 71 -3.424 11.269 -4.846 594 HA GLN 71 HA GLN 71 -3.221 13.791 -5.835 595 HB2 GLN 71 1HB GLN 71 -4.881 12.575 -3.689 596 HB3 GLN 71 2HB GLN 71 -4.889 14.329 -3.818 597 HG2 GLN 71 1HG GLN 71 -5.513 14.087 -6.212 598 HG3 GLN 71 2HG GLN 71 -5.658 12.350 -5.947 599 HE21 GLN 71 1HE2 GLN 71 -7.493 14.847 -6.439 600 HE22 GLN 71 2HE2 GLN 71 -8.825 14.530 -5.386 601 H GLN 72 H GLN 72 -1.739 15.298 -5.470 602 HA GLN 72 HA GLN 72 -0.913 15.799 -2.686 603 HB2 GLN 72 1HB GLN 72 0.915 14.816 -3.994 604 HB3 GLN 72 2HB GLN 72 0.753 16.093 -5.192 605 HG2 GLN 72 1HG GLN 72 1.626 17.709 -3.773 606 HG3 GLN 72 2HG GLN 72 1.320 16.744 -2.330 607 HE21 GLN 72 1HE2 GLN 72 3.654 17.809 -4.382 608 HE22 GLN 72 2HE2 GLN 72 4.875 16.628 -4.070 609 H ARG 73 H ARG 73 -2.097 17.538 -2.129 610 HA ARG 73 HA ARG 73 -3.123 19.531 -3.692 611 HB2 ARG 73 1HB ARG 73 -3.490 19.155 -1.214 612 HB3 ARG 73 2HB ARG 73 -1.990 20.030 -0.940 613 HG2 ARG 73 1HG ARG 73 -4.077 21.328 -2.605 614 HG3 ARG 73 2HG ARG 73 -4.336 21.228 -0.862 615 HD2 ARG 73 1HD ARG 73 -1.945 22.438 -2.246 616 HD3 ARG 73 2HD ARG 73 -3.250 23.324 -1.459 617 HE ARG 73 HE ARG 73 -2.339 21.788 0.539 618 HH11 ARG 73 2HH1 ARG 73 -0.698 23.824 -1.759 619 HH12 ARG 73 1HH1 ARG 73 0.605 24.210 -0.683 620 HH21 ARG 73 2HH2 ARG 73 -0.630 22.288 1.964 621 HH22 ARG 73 1HH2 ARG 73 0.643 23.335 1.434 622 H ARG 74 H ARG 74 0.037 19.589 -2.050 623 HA ARG 74 HA ARG 74 0.884 22.090 -2.922 624 HB2 ARG 74 1HB ARG 74 2.258 19.612 -2.004 625 HB3 ARG 74 2HB ARG 74 3.236 20.852 -2.779 626 HG2 ARG 74 1HG ARG 74 2.157 22.469 -1.107 627 HG3 ARG 74 2HG ARG 74 1.669 21.015 -0.234 628 HD2 ARG 74 1HD ARG 74 3.759 21.861 0.654 629 HD3 ARG 74 2HD ARG 74 4.019 20.306 -0.135 630 HE ARG 74 HE ARG 74 4.519 22.285 -2.022 631 HH11 ARG 74 2HH1 ARG 74 5.826 21.193 1.015 632 HH12 ARG 74 1HH1 ARG 74 7.441 21.702 0.652 633 HH21 ARG 74 2HH2 ARG 74 6.642 22.960 -2.512 634 HH22 ARG 74 1HH2 ARG 74 7.905 22.708 -1.354 635 H ASN 75 H ASN 75 2.129 22.797 -4.659 636 HA ASN 75 HA ASN 75 1.822 21.193 -7.078 637 HB2 ASN 75 1HB ASN 75 1.106 23.614 -6.973 638 HB3 ASN 75 2HB ASN 75 2.811 24.040 -6.863 639 HD21 ASN 75 1HD2 ASN 75 3.107 25.037 -8.763 640 HD22 ASN 75 2HD2 ASN 75 2.873 24.297 -10.307 641 H ASP 76 H ASP 76 3.436 19.974 -7.774 642 HA ASP 76 HA ASP 76 6.183 20.675 -6.986 643 HB2 ASP 76 1HB ASP 76 5.759 18.520 -6.171 644 HB3 ASP 76 2HB ASP 76 4.846 18.056 -7.605 645 HA PRO 77 HA PRO 77 7.215 21.606 -11.158 646 HB2 PRO 77 1HB PRO 77 9.882 21.105 -11.083 647 HB3 PRO 77 2HB PRO 77 9.149 22.522 -10.321 648 HG2 PRO 77 1HG PRO 77 9.995 19.931 -9.083 649 HG3 PRO 77 2HG PRO 77 10.223 21.585 -8.484 650 HD2 PRO 77 1HD PRO 77 8.269 19.955 -7.558 651 HD3 PRO 77 2HD PRO 77 8.074 21.717 -7.662 652 H SER 78 H SER 78 6.024 19.823 -12.085 653 HA SER 78 HA SER 78 7.451 17.324 -12.504 654 HB2 SER 78 1HB SER 78 5.098 17.123 -12.025 655 HB3 SER 78 2HB SER 78 4.688 18.250 -13.318 656 HG SER 78 HG SER 78 5.559 16.697 -14.794 657 H GLY 79 H GLY 79 7.891 16.455 -14.591 658 HA2 GLY 79 1HA GLY 79 8.193 18.533 -16.672 659 HA3 GLY 79 2HA GLY 79 9.384 17.272 -16.391 660 HA PRO 80 HA PRO 80 5.483 15.202 -18.414 661 HB2 PRO 80 1HB PRO 80 3.761 16.915 -19.628 662 HB3 PRO 80 2HB PRO 80 3.583 16.406 -17.944 663 HG2 PRO 80 1HG PRO 80 4.753 18.931 -19.046 664 HG3 PRO 80 2HG PRO 80 3.664 18.713 -17.664 665 HD2 PRO 80 1HD PRO 80 6.331 19.074 -17.374 666 HD3 PRO 80 2HD PRO 80 5.375 18.082 -16.255 667 H SER 81 H SER 81 4.998 14.763 -20.689 668 HA SER 81 HA SER 81 6.391 16.368 -22.670 669 HB2 SER 81 1HB SER 81 7.827 14.626 -23.459 670 HB3 SER 81 2HB SER 81 8.071 14.730 -21.715 671 HG SER 81 HG SER 81 6.888 12.893 -21.438 672 H SER 82 H SER 82 5.795 15.875 -24.831 673 HA SER 82 HA SER 82 3.682 13.901 -25.224 674 HB2 SER 82 1HB SER 82 2.172 15.511 -26.266 675 HB3 SER 82 2HB SER 82 2.523 16.004 -24.609 676 HG SER 82 HG SER 82 4.047 16.991 -26.764 677 H GLY 83 H GLY 83 3.112 13.680 -27.565 678 HA2 GLY 83 1HA GLY 83 5.292 14.527 -29.349 679 HA3 GLY 83 2HA GLY 83 4.890 12.821 -29.234 Start of MODEL 15 1 H1 GLY 1 H GLY 1 10.652 -25.816 -4.288 2 HA2 GLY 1 1HA GLY 1 9.345 -24.138 -3.297 3 HA3 GLY 1 2HA GLY 1 9.822 -23.038 -4.583 4 H SER 2 H SER 2 7.495 -25.330 -3.500 5 HA SER 2 HA SER 2 5.934 -24.893 -5.963 6 HB2 SER 2 1HB SER 2 4.822 -27.053 -5.501 7 HB3 SER 2 2HB SER 2 6.561 -27.245 -5.720 8 HG SER 2 HG SER 2 6.710 -27.200 -3.388 9 H SER 3 H SER 3 4.014 -23.929 -5.764 10 HA SER 3 HA SER 3 2.850 -23.691 -3.068 11 HB2 SER 3 1HB SER 3 3.830 -21.550 -3.721 12 HB3 SER 3 2HB SER 3 2.928 -21.578 -5.236 13 HG SER 3 HG SER 3 1.062 -21.834 -3.569 14 H GLY 4 H GLY 4 2.108 -23.399 -6.543 15 HA2 GLY 4 1HA GLY 4 0.401 -24.755 -7.557 16 HA3 GLY 4 2HA GLY 4 -0.435 -24.786 -6.011 17 H SER 5 H SER 5 -1.773 -24.165 -8.341 18 HA SER 5 HA SER 5 -2.366 -21.311 -7.924 19 HB2 SER 5 1HB SER 5 -1.926 -22.807 -10.474 20 HB3 SER 5 2HB SER 5 -3.108 -21.498 -10.458 21 HG SER 5 HG SER 5 -1.390 -20.173 -9.566 22 H SER 6 H SER 6 -4.545 -20.688 -8.186 23 HA SER 6 HA SER 6 -6.592 -22.590 -8.795 24 HB2 SER 6 1HB SER 6 -7.658 -22.585 -6.556 25 HB3 SER 6 2HB SER 6 -6.078 -23.367 -6.540 26 HG SER 6 HG SER 6 -6.168 -20.637 -5.988 27 H GLY 7 H GLY 7 -8.210 -21.487 -9.680 28 HA2 GLY 7 1HA GLY 7 -8.411 -18.610 -9.083 29 HA3 GLY 7 2HA GLY 7 -8.967 -19.382 -10.561 30 H LYS 8 H LYS 8 -10.060 -17.872 -7.937 31 HA LYS 8 HA LYS 8 -12.639 -19.243 -8.074 32 HB2 LYS 8 1HB LYS 8 -10.975 -18.860 -5.616 33 HB3 LYS 8 2HB LYS 8 -12.727 -18.787 -5.483 34 HG2 LYS 8 1HG LYS 8 -11.239 -21.102 -6.697 35 HG3 LYS 8 2HG LYS 8 -11.731 -21.020 -5.004 36 HD2 LYS 8 1HD LYS 8 -13.803 -20.520 -7.072 37 HD3 LYS 8 2HD LYS 8 -13.237 -22.179 -6.862 38 HE2 LYS 8 1HE LYS 8 -14.914 -22.185 -5.327 39 HE3 LYS 8 2HE LYS 8 -13.616 -21.571 -4.304 40 HZ1 LYS 8 1HZ LYS 8 -14.541 -19.300 -5.306 41 HZ2 LYS 8 2HZ LYS 8 -15.137 -19.984 -3.878 42 HZ3 LYS 8 3HZ LYS 8 -15.969 -20.208 -5.334 43 H LYS 9 H LYS 9 -14.420 -17.938 -7.258 44 HA LYS 9 HA LYS 9 -13.861 -15.067 -7.564 45 HB2 LYS 9 1HB LYS 9 -16.421 -16.619 -7.987 46 HB3 LYS 9 2HB LYS 9 -16.276 -14.873 -8.135 47 HG2 LYS 9 1HG LYS 9 -15.019 -15.011 -10.074 48 HG3 LYS 9 2HG LYS 9 -14.532 -16.678 -9.758 49 HD2 LYS 9 1HD LYS 9 -16.117 -16.799 -11.500 50 HD3 LYS 9 2HD LYS 9 -16.980 -17.291 -10.041 51 HE2 LYS 9 1HE LYS 9 -17.015 -14.421 -10.847 52 HE3 LYS 9 2HE LYS 9 -18.031 -15.565 -11.723 53 HZ1 LYS 9 1HZ LYS 9 -19.361 -15.895 -9.937 54 HZ2 LYS 9 2HZ LYS 9 -18.855 -14.326 -9.558 55 HZ3 LYS 9 3HZ LYS 9 -18.126 -15.654 -8.807 56 H ARG 10 H ARG 10 -14.012 -13.817 -5.829 57 HA ARG 10 HA ARG 10 -16.064 -14.172 -3.860 58 HB2 ARG 10 1HB ARG 10 -14.229 -15.842 -3.241 59 HB3 ARG 10 2HB ARG 10 -13.235 -14.442 -2.860 60 HG2 ARG 10 1HG ARG 10 -14.121 -15.037 -0.809 61 HG3 ARG 10 2HG ARG 10 -15.192 -13.740 -1.342 62 HD2 ARG 10 1HD ARG 10 -16.918 -15.212 -1.861 63 HD3 ARG 10 2HD ARG 10 -15.835 -16.600 -1.948 64 HE ARG 10 HE ARG 10 -15.711 -15.739 0.656 65 HH11 ARG 10 2HH1 ARG 10 -18.205 -16.837 -1.510 66 HH12 ARG 10 1HH1 ARG 10 -19.185 -17.510 -0.250 67 HH21 ARG 10 2HH2 ARG 10 -16.992 -16.621 2.324 68 HH22 ARG 10 1HH2 ARG 10 -18.495 -17.387 1.931 69 H LYS 11 H LYS 11 -16.256 -12.392 -2.450 70 HA LYS 11 HA LYS 11 -14.553 -10.090 -3.153 71 HB2 LYS 11 1HB LYS 11 -17.501 -10.085 -2.477 72 HB3 LYS 11 2HB LYS 11 -16.526 -8.653 -2.778 73 HG2 LYS 11 1HG LYS 11 -17.480 -8.916 -4.825 74 HG3 LYS 11 2HG LYS 11 -16.022 -9.885 -5.049 75 HD2 LYS 11 1HD LYS 11 -17.345 -11.896 -4.393 76 HD3 LYS 11 2HD LYS 11 -18.789 -10.881 -4.378 77 HE2 LYS 11 1HE LYS 11 -16.997 -11.137 -6.782 78 HE3 LYS 11 2HE LYS 11 -18.362 -12.214 -6.492 79 HZ1 LYS 11 1HZ LYS 11 -19.224 -10.557 -7.846 80 HZ2 LYS 11 2HZ LYS 11 -18.392 -9.317 -7.053 81 HZ3 LYS 11 3HZ LYS 11 -19.707 -10.068 -6.300 82 H GLY 12 H GLY 12 -14.373 -8.430 -1.473 83 HA2 GLY 12 1HA GLY 12 -15.188 -8.358 1.072 84 HA3 GLY 12 2HA GLY 12 -14.032 -9.680 1.129 85 H ASN 13 H ASN 13 -14.057 -6.939 2.348 86 HA ASN 13 HA ASN 13 -11.685 -5.764 1.096 87 HB2 ASN 13 1HB ASN 13 -13.796 -4.425 1.797 88 HB3 ASN 13 2HB ASN 13 -13.156 -4.574 3.432 89 HD21 ASN 13 1HD2 ASN 13 -12.664 -3.214 0.271 90 HD22 ASN 13 2HD2 ASN 13 -11.458 -2.066 0.732 91 H LEU 14 H LEU 14 -9.739 -5.576 2.126 92 HA LEU 14 HA LEU 14 -9.224 -7.421 4.262 93 HB2 LEU 14 1HB LEU 14 -7.323 -5.375 3.148 94 HB3 LEU 14 2HB LEU 14 -6.930 -6.883 3.972 95 HG LEU 14 HG LEU 14 -8.349 -6.867 1.326 96 HD11 LEU 14 1HD1 LEU 14 -6.241 -7.040 0.197 97 HD12 LEU 14 2HD1 LEU 14 -5.364 -6.963 1.725 98 HD13 LEU 14 3HD1 LEU 14 -6.250 -5.553 1.145 99 HD21 LEU 14 1HD2 LEU 14 -6.567 -9.019 1.646 100 HD22 LEU 14 2HD2 LEU 14 -8.330 -9.059 1.668 101 HD23 LEU 14 3HD2 LEU 14 -7.433 -8.852 3.173 102 HA PRO 15 HA PRO 15 -9.592 -4.736 7.721 103 HB2 PRO 15 1HB PRO 15 -7.772 -5.852 9.397 104 HB3 PRO 15 2HB PRO 15 -9.328 -6.606 9.030 105 HG2 PRO 15 1HG PRO 15 -6.624 -7.186 7.884 106 HG3 PRO 15 2HG PRO 15 -7.888 -8.319 8.398 107 HD2 PRO 15 1HD PRO 15 -7.478 -7.675 5.800 108 HD3 PRO 15 2HD PRO 15 -9.085 -8.066 6.444 109 H ALA 16 H ALA 16 -8.800 -2.789 8.237 110 HA ALA 16 HA ALA 16 -6.879 -1.397 7.042 111 HB1 ALA 16 1HB ALA 16 -7.389 0.144 8.557 112 HB2 ALA 16 2HB ALA 16 -8.319 -1.084 9.417 113 HB3 ALA 16 3HB ALA 16 -6.632 -0.795 9.844 114 H GLU 17 H GLU 17 -6.179 -3.138 10.082 115 HA GLU 17 HA GLU 17 -3.516 -2.758 10.327 116 HB2 GLU 17 1HB GLU 17 -5.124 -4.251 11.706 117 HB3 GLU 17 2HB GLU 17 -4.608 -5.540 10.627 118 HG2 GLU 17 1HG GLU 17 -2.243 -4.994 11.280 119 HG3 GLU 17 2HG GLU 17 -2.915 -3.938 12.521 120 H SER 18 H SER 18 -4.977 -5.328 8.340 121 HA SER 18 HA SER 18 -2.493 -6.199 7.262 122 HB2 SER 18 1HB SER 18 -5.330 -6.645 6.303 123 HB3 SER 18 2HB SER 18 -3.913 -7.474 5.658 124 HG SER 18 HG SER 18 -4.290 -7.537 8.417 125 H VAL 19 H VAL 19 -4.897 -3.850 6.289 126 HA VAL 19 HA VAL 19 -4.109 -3.479 3.622 127 HB VAL 19 HB VAL 19 -5.295 -1.457 5.528 128 HG11 VAL 19 1HG1 VAL 19 -4.590 -0.112 3.814 129 HG12 VAL 19 2HG1 VAL 19 -4.707 -1.397 2.610 130 HG13 VAL 19 3HG1 VAL 19 -6.168 -0.601 3.198 131 HG21 VAL 19 1HG2 VAL 19 -6.496 -3.521 3.714 132 HG22 VAL 19 2HG2 VAL 19 -6.830 -3.215 5.418 133 HG23 VAL 19 3HG2 VAL 19 -7.397 -2.083 4.191 134 H LYS 20 H LYS 20 -3.179 -1.662 6.543 135 HA LYS 20 HA LYS 20 -1.529 0.237 5.585 136 HB2 LYS 20 1HB LYS 20 -2.002 -0.484 8.029 137 HB3 LYS 20 2HB LYS 20 -0.564 -1.482 7.855 138 HG2 LYS 20 1HG LYS 20 0.781 0.470 7.391 139 HG3 LYS 20 2HG LYS 20 -0.652 1.500 7.441 140 HD2 LYS 20 1HD LYS 20 -0.868 1.310 9.735 141 HD3 LYS 20 2HD LYS 20 0.029 -0.209 9.797 142 HE2 LYS 20 1HE LYS 20 1.277 2.439 9.088 143 HE3 LYS 20 2HE LYS 20 1.233 1.791 10.727 144 HZ1 LYS 20 1HZ LYS 20 2.638 0.688 8.367 145 HZ2 LYS 20 2HZ LYS 20 2.360 -0.232 9.758 146 HZ3 LYS 20 3HZ LYS 20 3.300 1.172 9.847 147 H ILE 21 H ILE 21 -0.669 -3.180 5.968 148 HA ILE 21 HA ILE 21 2.017 -3.009 5.230 149 HB ILE 21 HB ILE 21 0.066 -5.275 4.811 150 HG12 ILE 21 1HG1 ILE 21 1.647 -6.116 6.785 151 HG13 ILE 21 2HG1 ILE 21 1.825 -4.384 7.047 152 HG21 ILE 21 1HG2 ILE 21 2.598 -4.971 3.674 153 HG22 ILE 21 2HG2 ILE 21 2.825 -6.067 5.035 154 HG23 ILE 21 3HG2 ILE 21 1.646 -6.451 3.782 155 HD11 ILE 21 1HD1 ILE 21 -0.929 -4.925 6.703 156 HD12 ILE 21 2HD1 ILE 21 -0.280 -6.094 7.854 157 HD13 ILE 21 3HD1 ILE 21 -0.086 -4.365 8.147 158 H LEU 22 H LEU 22 -0.858 -3.583 3.220 159 HA LEU 22 HA LEU 22 0.602 -3.743 0.779 160 HB2 LEU 22 1HB LEU 22 -2.320 -3.206 1.290 161 HB3 LEU 22 2HB LEU 22 -1.616 -3.551 -0.289 162 HG LEU 22 HG LEU 22 -1.724 -5.444 2.059 163 HD11 LEU 22 1HD1 LEU 22 -3.860 -5.555 1.294 164 HD12 LEU 22 2HD1 LEU 22 -3.107 -6.675 0.159 165 HD13 LEU 22 3HD1 LEU 22 -3.429 -5.011 -0.328 166 HD21 LEU 22 1HD2 LEU 22 -0.657 -5.810 -0.738 167 HD22 LEU 22 2HD2 LEU 22 -0.886 -7.104 0.438 168 HD23 LEU 22 3HD2 LEU 22 0.279 -5.818 0.757 169 H ARG 23 H ARG 23 -1.514 -1.219 2.145 170 HA ARG 23 HA ARG 23 -1.276 0.705 0.209 171 HB2 ARG 23 1HB ARG 23 -1.644 0.816 3.169 172 HB3 ARG 23 2HB ARG 23 -1.339 2.319 2.308 173 HG2 ARG 23 1HG ARG 23 -3.268 1.727 0.809 174 HG3 ARG 23 2HG ARG 23 -3.629 0.412 1.928 175 HD2 ARG 23 1HD ARG 23 -3.522 3.350 2.601 176 HD3 ARG 23 2HD ARG 23 -4.981 2.375 2.428 177 HE ARG 23 HE ARG 23 -3.174 1.338 4.392 178 HH11 ARG 23 2HH1 ARG 23 -5.700 3.662 3.811 179 HH12 ARG 23 1HH1 ARG 23 -6.193 3.736 5.470 180 HH21 ARG 23 2HH2 ARG 23 -3.813 1.427 6.580 181 HH22 ARG 23 1HH2 ARG 23 -5.118 2.465 7.045 182 H ASP 24 H ASP 24 0.775 0.544 3.127 183 HA ASP 24 HA ASP 24 2.561 2.506 2.675 184 HB2 ASP 24 1HB ASP 24 2.518 0.656 4.508 185 HB3 ASP 24 2HB ASP 24 3.627 -0.195 3.437 186 H TRP 25 H TRP 25 2.578 -0.655 1.092 187 HA TRP 25 HA TRP 25 4.972 -0.146 -0.390 188 HB2 TRP 25 1HB TRP 25 4.316 -2.433 0.122 189 HB3 TRP 25 2HB TRP 25 2.807 -2.227 -0.764 190 HD1 TRP 25 HD TRP 25 6.463 -3.042 -1.250 191 HE1 TRP 25 1HE TRP 25 6.885 -3.627 -3.721 192 HE3 TRP 25 3HE TRP 25 1.954 -1.628 -3.200 193 HZ2 TRP 25 2HZ TRP 25 5.492 -3.505 -6.172 194 HZ3 TRP 25 3HZ TRP 25 1.579 -1.894 -5.617 195 HH2 TRP 25 HH TRP 25 3.313 -2.813 -7.071 196 H MET 26 H MET 26 1.523 -0.284 -1.278 197 HA MET 26 HA MET 26 1.679 0.319 -3.945 198 HB2 MET 26 1HB MET 26 -0.429 -0.208 -2.861 199 HB3 MET 26 2HB MET 26 -0.367 1.291 -1.943 200 HG2 MET 26 1HG MET 26 -0.466 2.533 -4.099 201 HG3 MET 26 2HG MET 26 -0.720 0.991 -4.913 202 HE1 MET 26 1HE MET 26 -3.097 1.755 -5.994 203 HE2 MET 26 2HE MET 26 -2.857 0.096 -5.446 204 HE3 MET 26 3HE MET 26 -4.377 0.925 -5.108 205 H TYR 27 H TYR 27 2.432 2.358 -1.279 206 HA TYR 27 HA TYR 27 2.103 4.867 -2.578 207 HB2 TYR 27 1HB TYR 27 2.243 4.473 -0.078 208 HB3 TYR 27 2HB TYR 27 3.978 4.267 -0.288 209 HD1 TYR 27 2HD TYR 27 1.432 6.716 -1.531 210 HD2 TYR 27 1HD TYR 27 5.176 6.106 0.397 211 HE1 TYR 27 2HE TYR 27 1.735 9.150 -1.363 212 HE2 TYR 27 1HE TYR 27 5.489 8.540 0.571 213 HH TYR 27 HH TYR 27 3.008 10.751 0.075 214 H LYS 28 H LYS 28 4.948 2.832 -1.934 215 HA LYS 28 HA LYS 28 6.831 4.484 -3.202 216 HB2 LYS 28 1HB LYS 28 6.773 1.535 -2.600 217 HB3 LYS 28 2HB LYS 28 8.137 2.280 -3.422 218 HG2 LYS 28 1HG LYS 28 8.388 3.819 -1.491 219 HG3 LYS 28 2HG LYS 28 7.118 2.916 -0.663 220 HD2 LYS 28 1HD LYS 28 8.688 0.871 -1.298 221 HD3 LYS 28 2HD LYS 28 9.918 2.137 -1.282 222 HE2 LYS 28 1HE LYS 28 9.856 1.201 0.900 223 HE3 LYS 28 2HE LYS 28 9.078 2.780 0.997 224 HZ1 LYS 28 1HZ LYS 28 6.955 1.778 1.069 225 HZ2 LYS 28 2HZ LYS 28 7.909 0.932 2.180 226 HZ3 LYS 28 3HZ LYS 28 7.566 0.252 0.670 227 H HIS 29 H HIS 29 4.725 1.950 -4.437 228 HA HIS 29 HA HIS 29 5.818 2.333 -7.131 229 HB2 HIS 29 1HB HIS 29 3.790 0.272 -6.262 230 HB3 HIS 29 2HB HIS 29 4.751 0.280 -7.739 231 HD1 HIS 29 1HD HIS 29 6.684 -1.246 -7.664 232 HD2 HIS 29 2HD HIS 29 5.636 0.090 -3.872 233 HE1 HIS 29 1HE HIS 29 8.251 -2.416 -6.082 234 HE2 HIS 29 2HE HIS 29 7.541 -1.657 -3.787 235 H ARG 30 H ARG 30 3.602 3.788 -5.310 236 HA ARG 30 HA ARG 30 1.150 3.842 -6.373 237 HB2 ARG 30 1HB ARG 30 1.038 6.249 -5.939 238 HB3 ARG 30 2HB ARG 30 1.886 5.412 -4.646 239 HG2 ARG 30 1HG ARG 30 4.017 6.061 -5.987 240 HG3 ARG 30 2HG ARG 30 2.957 7.264 -6.723 241 HD2 ARG 30 1HD ARG 30 2.933 7.023 -3.765 242 HD3 ARG 30 2HD ARG 30 4.349 7.758 -4.515 243 HE ARG 30 HE ARG 30 1.830 8.832 -5.416 244 HH11 ARG 30 2HH1 ARG 30 4.395 9.059 -3.073 245 HH12 ARG 30 1HH1 ARG 30 4.077 10.719 -2.692 246 HH21 ARG 30 2HH2 ARG 30 1.402 11.018 -4.924 247 HH22 ARG 30 1HH2 ARG 30 2.374 11.832 -3.745 248 H PHE 31 H PHE 31 4.048 5.000 -7.970 249 HA PHE 31 HA PHE 31 2.935 6.416 -10.084 250 HB2 PHE 31 1HB PHE 31 5.478 4.912 -9.682 251 HB3 PHE 31 2HB PHE 31 5.061 5.401 -11.321 252 HD1 PHE 31 2HD PHE 31 4.128 7.366 -8.368 253 HD2 PHE 31 1HD PHE 31 6.895 6.916 -11.570 254 HE1 PHE 31 2HE PHE 31 5.010 9.618 -7.917 255 HE2 PHE 31 1HE PHE 31 7.783 9.167 -11.123 256 HZ PHE 31 HZ PHE 31 6.840 10.522 -9.296 257 H LYS 32 H LYS 32 3.715 2.951 -9.904 258 HA LYS 32 HA LYS 32 2.269 2.499 -12.405 259 HB2 LYS 32 1HB LYS 32 3.209 0.239 -12.317 260 HB3 LYS 32 2HB LYS 32 4.471 1.455 -12.174 261 HG2 LYS 32 1HG LYS 32 4.149 1.096 -9.617 262 HG3 LYS 32 2HG LYS 32 3.415 -0.429 -10.118 263 HD2 LYS 32 1HD LYS 32 5.611 -1.062 -9.864 264 HD3 LYS 32 2HD LYS 32 5.581 -0.639 -11.578 265 HE2 LYS 32 1HE LYS 32 6.221 1.512 -9.635 266 HE3 LYS 32 2HE LYS 32 7.445 0.275 -9.914 267 HZ1 LYS 32 1HZ LYS 32 7.167 0.754 -12.340 268 HZ2 LYS 32 2HZ LYS 32 7.853 2.011 -11.440 269 HZ3 LYS 32 3HZ LYS 32 6.231 2.097 -11.911 270 H ALA 33 H ALA 33 2.287 1.370 -9.036 271 HA ALA 33 HA ALA 33 0.596 0.625 -7.696 272 HB1 ALA 33 1HB ALA 33 -1.481 1.449 -8.019 273 HB2 ALA 33 2HB ALA 33 -0.668 2.410 -9.254 274 HB3 ALA 33 3HB ALA 33 -1.537 0.945 -9.708 275 H TYR 34 H TYR 34 2.043 -1.277 -8.872 276 HA TYR 34 HA TYR 34 0.208 -3.468 -9.044 277 HB2 TYR 34 1HB TYR 34 1.772 -2.666 -11.503 278 HB3 TYR 34 2HB TYR 34 1.018 -4.242 -11.292 279 HD1 TYR 34 1HD TYR 34 -1.498 -4.345 -11.006 280 HD2 TYR 34 2HD TYR 34 0.527 -0.826 -12.279 281 HE1 TYR 34 1HE TYR 34 -3.611 -3.459 -11.900 282 HE2 TYR 34 2HE TYR 34 -1.580 0.070 -13.175 283 HH TYR 34 HH TYR 34 -3.715 -0.534 -13.811 284 HA PRO 35 HA PRO 35 4.062 -4.814 -7.125 285 HB2 PRO 35 1HB PRO 35 2.945 -6.949 -5.875 286 HB3 PRO 35 2HB PRO 35 2.828 -5.300 -5.249 287 HG2 PRO 35 1HG PRO 35 0.824 -6.877 -6.816 288 HG3 PRO 35 2HG PRO 35 0.571 -5.835 -5.403 289 HD2 PRO 35 1HD PRO 35 0.049 -5.015 -7.931 290 HD3 PRO 35 2HD PRO 35 0.608 -3.905 -6.663 291 H SER 36 H SER 36 5.268 -6.868 -7.168 292 HA SER 36 HA SER 36 4.767 -8.296 -9.684 293 HB2 SER 36 1HB SER 36 7.283 -7.990 -8.030 294 HB3 SER 36 2HB SER 36 7.165 -9.001 -9.470 295 HG SER 36 HG SER 36 6.238 -6.465 -9.872 296 H GLU 37 H GLU 37 5.021 -10.584 -9.783 297 HA GLU 37 HA GLU 37 3.608 -12.113 -8.097 298 HB2 GLU 37 1HB GLU 37 6.051 -12.798 -9.701 299 HB3 GLU 37 2HB GLU 37 5.253 -14.024 -8.726 300 HG2 GLU 37 1HG GLU 37 3.130 -13.459 -9.948 301 HG3 GLU 37 2HG GLU 37 4.113 -12.481 -11.036 302 H GLU 38 H GLU 38 6.842 -10.950 -7.519 303 HA GLU 38 HA GLU 38 7.294 -12.645 -5.233 304 HB2 GLU 38 1HB GLU 38 8.790 -10.431 -6.574 305 HB3 GLU 38 2HB GLU 38 9.223 -10.877 -4.930 306 HG2 GLU 38 1HG GLU 38 9.624 -13.173 -5.653 307 HG3 GLU 38 2HG GLU 38 9.187 -12.729 -7.302 308 H GLU 39 H GLU 39 6.593 -9.202 -5.763 309 HA GLU 39 HA GLU 39 6.627 -8.339 -3.130 310 HB2 GLU 39 1HB GLU 39 4.819 -7.410 -5.368 311 HB3 GLU 39 2HB GLU 39 5.108 -6.535 -3.871 312 HG2 GLU 39 1HG GLU 39 7.017 -7.066 -6.119 313 HG3 GLU 39 2HG GLU 39 6.478 -5.517 -5.473 314 H LYS 40 H LYS 40 3.808 -9.462 -4.999 315 HA LYS 40 HA LYS 40 1.889 -9.300 -3.021 316 HB2 LYS 40 1HB LYS 40 1.802 -11.680 -4.801 317 HB3 LYS 40 2HB LYS 40 0.538 -10.522 -4.412 318 HG2 LYS 40 1HG LYS 40 1.906 -8.861 -5.810 319 HG3 LYS 40 2HG LYS 40 2.746 -10.288 -6.420 320 HD2 LYS 40 1HD LYS 40 0.516 -11.232 -7.048 321 HD3 LYS 40 2HD LYS 40 -0.202 -9.680 -6.607 322 HE2 LYS 40 1HE LYS 40 0.873 -8.557 -8.350 323 HE3 LYS 40 2HE LYS 40 2.056 -9.845 -8.574 324 HZ1 LYS 40 1HZ LYS 40 -0.594 -10.797 -8.971 325 HZ2 LYS 40 2HZ LYS 40 0.731 -10.848 -10.022 326 HZ3 LYS 40 3HZ LYS 40 -0.270 -9.485 -9.989 327 H GLN 41 H GLN 41 3.667 -12.267 -3.909 328 HA GLN 41 HA GLN 41 2.798 -13.871 -1.836 329 HB2 GLN 41 1HB GLN 41 4.336 -14.370 -3.901 330 HB3 GLN 41 2HB GLN 41 5.639 -14.059 -2.762 331 HG2 GLN 41 1HG GLN 41 5.074 -16.448 -2.983 332 HG3 GLN 41 2HG GLN 41 4.900 -15.837 -1.338 333 HE21 GLN 41 1HE2 GLN 41 2.991 -16.031 -0.340 334 HE22 GLN 41 2HE2 GLN 41 1.551 -16.646 -1.070 335 H MET 42 H MET 42 5.238 -11.372 -1.824 336 HA MET 42 HA MET 42 6.420 -12.070 0.668 337 HB2 MET 42 1HB MET 42 7.808 -10.713 -0.579 338 HB3 MET 42 2HB MET 42 6.489 -9.691 -1.133 339 HG2 MET 42 1HG MET 42 6.332 -8.761 1.169 340 HG3 MET 42 2HG MET 42 7.775 -9.683 1.585 341 HE1 MET 42 1HE MET 42 6.861 -5.942 0.232 342 HE2 MET 42 2HE MET 42 7.378 -6.303 -1.415 343 HE3 MET 42 3HE MET 42 6.117 -7.274 -0.654 344 H LEU 43 H LEU 43 4.066 -9.559 -0.253 345 HA LEU 43 HA LEU 43 3.612 -8.618 2.363 346 HB2 LEU 43 1HB LEU 43 1.638 -8.555 0.093 347 HB3 LEU 43 2HB LEU 43 1.733 -7.456 1.468 348 HG LEU 43 HG LEU 43 4.029 -7.604 -0.433 349 HD11 LEU 43 1HD1 LEU 43 3.055 -6.151 -1.988 350 HD12 LEU 43 2HD1 LEU 43 1.674 -5.816 -0.944 351 HD13 LEU 43 3HD1 LEU 43 1.834 -7.394 -1.714 352 HD21 LEU 43 1HD2 LEU 43 3.756 -5.039 0.173 353 HD22 LEU 43 2HD2 LEU 43 4.584 -6.168 1.245 354 HD23 LEU 43 3HD2 LEU 43 2.909 -5.715 1.564 355 H SER 44 H SER 44 1.992 -11.083 0.414 356 HA SER 44 HA SER 44 -0.223 -11.622 1.940 357 HB2 SER 44 1HB SER 44 -0.077 -12.840 -0.050 358 HB3 SER 44 2HB SER 44 1.563 -13.391 0.294 359 HG SER 44 HG SER 44 -0.632 -14.163 1.895 360 H GLU 45 H GLU 45 3.080 -12.141 2.748 361 HA GLU 45 HA GLU 45 2.620 -14.122 4.772 362 HB2 GLU 45 1HB GLU 45 5.001 -12.346 4.211 363 HB3 GLU 45 2HB GLU 45 4.979 -13.619 5.423 364 HG2 GLU 45 1HG GLU 45 4.458 -15.239 3.594 365 HG3 GLU 45 2HG GLU 45 4.728 -13.930 2.444 366 H LYS 46 H LYS 46 3.105 -10.620 4.720 367 HA LYS 46 HA LYS 46 2.943 -10.385 7.586 368 HB2 LYS 46 1HB LYS 46 3.065 -8.395 5.329 369 HB3 LYS 46 2HB LYS 46 2.801 -7.888 6.993 370 HG2 LYS 46 1HG LYS 46 5.090 -7.654 6.700 371 HG3 LYS 46 2HG LYS 46 4.936 -9.207 7.525 372 HD2 LYS 46 1HD LYS 46 5.540 -10.406 5.669 373 HD3 LYS 46 2HD LYS 46 4.933 -9.184 4.549 374 HE2 LYS 46 1HE LYS 46 7.371 -8.805 6.277 375 HE3 LYS 46 2HE LYS 46 7.433 -9.424 4.628 376 HZ1 LYS 46 1HZ LYS 46 7.855 -7.059 4.669 377 HZ2 LYS 46 2HZ LYS 46 6.386 -6.770 5.455 378 HZ3 LYS 46 3HZ LYS 46 6.395 -7.365 3.871 379 H THR 47 H THR 47 0.779 -10.035 4.854 380 HA THR 47 HA THR 47 -1.369 -9.037 6.556 381 HB THR 47 HB THR 47 -2.666 -8.773 4.527 382 HG1 THR 47 1HG THR 47 -0.668 -10.427 3.482 383 HG21 THR 47 1HG2 THR 47 -1.174 -6.954 4.975 384 HG22 THR 47 2HG2 THR 47 -1.131 -7.263 3.240 385 HG23 THR 47 3HG2 THR 47 0.186 -7.824 4.269 386 H ASN 48 H ASN 48 -0.231 -11.985 5.204 387 HA ASN 48 HA ASN 48 -0.962 -14.133 5.351 388 HB2 ASN 48 1HB ASN 48 -3.089 -13.168 7.261 389 HB3 ASN 48 2HB ASN 48 -2.345 -14.762 7.180 390 HD21 ASN 48 1HD2 ASN 48 -0.398 -15.114 8.155 391 HD22 ASN 48 2HD2 ASN 48 0.376 -13.955 9.176 392 H LEU 49 H LEU 49 -1.970 -12.492 3.284 393 HA LEU 49 HA LEU 49 -4.728 -13.466 2.968 394 HB2 LEU 49 1HB LEU 49 -3.360 -11.354 1.320 395 HB3 LEU 49 2HB LEU 49 -5.081 -11.730 1.380 396 HG LEU 49 HG LEU 49 -3.593 -10.655 3.762 397 HD11 LEU 49 1HD1 LEU 49 -4.599 -9.240 1.359 398 HD12 LEU 49 2HD1 LEU 49 -3.245 -8.855 2.420 399 HD13 LEU 49 3HD1 LEU 49 -4.895 -8.500 2.932 400 HD21 LEU 49 1HD2 LEU 49 -6.509 -10.644 2.991 401 HD22 LEU 49 2HD2 LEU 49 -5.822 -9.987 4.477 402 HD23 LEU 49 3HD2 LEU 49 -5.759 -11.723 4.168 403 H SER 50 H SER 50 -5.170 -13.590 0.397 404 HA SER 50 HA SER 50 -3.219 -15.558 -0.582 405 HB2 SER 50 1HB SER 50 -6.126 -15.183 -1.341 406 HB3 SER 50 2HB SER 50 -5.058 -16.439 -1.966 407 HG SER 50 HG SER 50 -5.084 -17.443 -0.053 408 H LEU 51 H LEU 51 -2.182 -15.277 -2.473 409 HA LEU 51 HA LEU 51 -1.607 -12.943 -3.625 410 HB2 LEU 51 1HB LEU 51 -2.103 -15.473 -5.187 411 HB3 LEU 51 2HB LEU 51 -1.130 -14.103 -5.720 412 HG LEU 51 HG LEU 51 -0.505 -15.990 -3.451 413 HD11 LEU 51 1HD1 LEU 51 0.718 -17.147 -4.898 414 HD12 LEU 51 2HD1 LEU 51 1.477 -15.684 -5.526 415 HD13 LEU 51 3HD1 LEU 51 -0.065 -16.229 -6.185 416 HD21 LEU 51 1HD2 LEU 51 0.464 -13.303 -4.078 417 HD22 LEU 51 2HD2 LEU 51 1.743 -14.505 -3.904 418 HD23 LEU 51 3HD2 LEU 51 0.596 -14.241 -2.590 419 H LEU 52 H LEU 52 -4.500 -14.835 -4.336 420 HA LEU 52 HA LEU 52 -5.467 -13.301 -6.473 421 HB2 LEU 52 1HB LEU 52 -6.482 -15.378 -6.146 422 HB3 LEU 52 2HB LEU 52 -6.775 -15.066 -4.436 423 HG LEU 52 HG LEU 52 -8.495 -13.393 -5.098 424 HD11 LEU 52 1HD1 LEU 52 -8.037 -12.673 -7.228 425 HD12 LEU 52 2HD1 LEU 52 -9.325 -13.837 -7.537 426 HD13 LEU 52 3HD1 LEU 52 -7.643 -14.291 -7.810 427 HD21 LEU 52 1HD2 LEU 52 -10.120 -14.974 -5.164 428 HD22 LEU 52 2HD2 LEU 52 -8.762 -16.026 -4.765 429 HD23 LEU 52 3HD2 LEU 52 -9.323 -15.903 -6.433 430 H GLN 53 H GLN 53 -6.195 -13.093 -2.995 431 HA GLN 53 HA GLN 53 -7.926 -10.877 -3.194 432 HB2 GLN 53 1HB GLN 53 -6.318 -12.024 -0.921 433 HB3 GLN 53 2HB GLN 53 -7.327 -10.598 -0.716 434 HG2 GLN 53 1HG GLN 53 -9.286 -11.775 -0.995 435 HG3 GLN 53 2HG GLN 53 -8.498 -13.079 -1.883 436 HE21 GLN 53 1HE2 GLN 53 -8.408 -11.539 1.313 437 HE22 GLN 53 2HE2 GLN 53 -8.257 -13.009 2.207 438 H ILE 54 H ILE 54 -4.447 -11.133 -2.638 439 HA ILE 54 HA ILE 54 -3.817 -8.544 -1.960 440 HB ILE 54 HB ILE 54 -2.263 -10.407 -3.758 441 HG12 ILE 54 1HG1 ILE 54 -2.693 -11.305 -1.520 442 HG13 ILE 54 2HG1 ILE 54 -0.990 -10.904 -1.712 443 HG21 ILE 54 1HG2 ILE 54 -1.042 -8.576 -4.196 444 HG22 ILE 54 2HG2 ILE 54 -1.728 -7.674 -2.846 445 HG23 ILE 54 3HG2 ILE 54 -0.412 -8.814 -2.566 446 HD11 ILE 54 1HD1 ILE 54 -1.676 -8.655 -0.610 447 HD12 ILE 54 2HD1 ILE 54 -3.074 -9.574 -0.051 448 HD13 ILE 54 3HD1 ILE 54 -1.446 -10.092 0.385 449 H SER 55 H SER 55 -3.493 -9.774 -5.293 450 HA SER 55 HA SER 55 -3.245 -7.295 -6.522 451 HB2 SER 55 1HB SER 55 -3.994 -10.028 -7.438 452 HB3 SER 55 2HB SER 55 -4.338 -8.686 -8.529 453 HG SER 55 HG SER 55 -2.156 -9.800 -8.571 454 H ASN 56 H ASN 56 -6.157 -9.211 -5.888 455 HA ASN 56 HA ASN 56 -8.026 -7.674 -7.238 456 HB2 ASN 56 1HB ASN 56 -8.139 -9.467 -4.852 457 HB3 ASN 56 2HB ASN 56 -9.547 -8.475 -5.219 458 HD21 ASN 56 1HD2 ASN 56 -9.996 -11.046 -5.289 459 HD22 ASN 56 2HD2 ASN 56 -10.094 -11.653 -6.903 460 H TRP 57 H TRP 57 -6.644 -7.214 -4.025 461 HA TRP 57 HA TRP 57 -8.333 -5.027 -3.322 462 HB2 TRP 57 1HB TRP 57 -7.358 -6.202 -1.514 463 HB3 TRP 57 2HB TRP 57 -5.743 -6.090 -2.208 464 HD1 TRP 57 HD TRP 57 -8.055 -4.353 0.156 465 HE1 TRP 57 1HE TRP 57 -6.965 -2.186 1.018 466 HE3 TRP 57 3HE TRP 57 -4.111 -4.085 -3.085 467 HZ2 TRP 57 2HZ TRP 57 -4.729 -0.576 0.404 468 HZ3 TRP 57 3HZ TRP 57 -2.542 -2.200 -2.881 469 HH2 TRP 57 HH TRP 57 -2.847 -0.482 -1.172 470 H PHE 58 H PHE 58 -5.280 -5.347 -4.986 471 HA PHE 58 HA PHE 58 -4.497 -2.623 -4.817 472 HB2 PHE 58 1HB PHE 58 -3.651 -5.001 -6.389 473 HB3 PHE 58 2HB PHE 58 -3.206 -3.420 -7.022 474 HD1 PHE 58 2HD PHE 58 -1.802 -1.899 -5.650 475 HD2 PHE 58 1HD PHE 58 -2.557 -5.931 -4.515 476 HE1 PHE 58 2HE PHE 58 0.110 -1.818 -4.104 477 HE2 PHE 58 1HE PHE 58 -0.647 -5.857 -2.966 478 HZ PHE 58 HZ PHE 58 0.690 -3.799 -2.760 479 H ILE 59 H ILE 59 -6.564 -4.428 -6.976 480 HA ILE 59 HA ILE 59 -6.679 -2.552 -9.084 481 HB ILE 59 HB ILE 59 -8.737 -4.588 -8.225 482 HG12 ILE 59 1HG1 ILE 59 -6.756 -4.773 -10.493 483 HG13 ILE 59 2HG1 ILE 59 -6.410 -5.391 -8.881 484 HG21 ILE 59 1HG2 ILE 59 -8.540 -2.807 -10.624 485 HG22 ILE 59 2HG2 ILE 59 -9.379 -4.355 -10.709 486 HG23 ILE 59 3HG2 ILE 59 -9.926 -3.117 -9.578 487 HD11 ILE 59 1HD1 ILE 59 -7.567 -7.242 -9.259 488 HD12 ILE 59 2HD1 ILE 59 -8.954 -6.340 -9.869 489 HD13 ILE 59 3HD1 ILE 59 -7.625 -6.752 -10.952 490 H ASN 60 H ASN 60 -9.331 -3.302 -6.824 491 HA ASN 60 HA ASN 60 -10.795 -0.988 -7.297 492 HB2 ASN 60 1HB ASN 60 -10.835 -2.198 -4.565 493 HB3 ASN 60 2HB ASN 60 -12.177 -1.667 -5.575 494 HD21 ASN 60 1HD2 ASN 60 -10.226 -4.276 -4.607 495 HD22 ASN 60 2HD2 ASN 60 -10.928 -5.484 -5.623 496 H ALA 61 H ALA 61 -8.312 -1.627 -4.856 497 HA ALA 61 HA ALA 61 -8.524 0.757 -3.417 498 HB1 ALA 61 1HB ALA 61 -6.075 -0.929 -3.922 499 HB2 ALA 61 2HB ALA 61 -6.225 0.312 -2.677 500 HB3 ALA 61 3HB ALA 61 -7.234 -1.133 -2.608 501 H ARG 62 H ARG 62 -6.658 -0.018 -6.322 502 HA ARG 62 HA ARG 62 -5.240 2.409 -6.485 503 HB2 ARG 62 1HB ARG 62 -4.643 0.369 -7.750 504 HB3 ARG 62 2HB ARG 62 -6.085 0.575 -8.735 505 HG2 ARG 62 1HG ARG 62 -5.222 2.682 -9.589 506 HG3 ARG 62 2HG ARG 62 -3.789 2.516 -8.572 507 HD2 ARG 62 1HD ARG 62 -3.088 1.760 -10.667 508 HD3 ARG 62 2HD ARG 62 -3.433 0.281 -9.771 509 HE ARG 62 HE ARG 62 -5.113 -0.178 -11.253 510 HH11 ARG 62 2HH1 ARG 62 -4.226 3.176 -11.546 511 HH12 ARG 62 1HH1 ARG 62 -5.215 3.451 -12.941 512 HH21 ARG 62 2HH2 ARG 62 -6.419 0.171 -13.090 513 HH22 ARG 62 1HH2 ARG 62 -6.463 1.741 -13.818 514 H ARG 63 H ARG 63 -8.499 1.919 -6.652 515 HA ARG 63 HA ARG 63 -9.039 3.936 -8.680 516 HB2 ARG 63 1HB ARG 63 -11.047 2.544 -6.911 517 HB3 ARG 63 2HB ARG 63 -11.342 3.360 -8.440 518 HG2 ARG 63 1HG ARG 63 -9.902 1.614 -9.531 519 HG3 ARG 63 2HG ARG 63 -9.920 0.752 -7.991 520 HD2 ARG 63 1HD ARG 63 -12.282 1.443 -9.730 521 HD3 ARG 63 2HD ARG 63 -11.631 -0.162 -9.404 522 HE ARG 63 HE ARG 63 -12.270 0.715 -6.943 523 HH11 ARG 63 2HH1 ARG 63 -14.040 0.622 -9.939 524 HH12 ARG 63 1HH1 ARG 63 -15.584 0.445 -9.173 525 HH21 ARG 63 2HH2 ARG 63 -14.297 0.483 -5.922 526 HH22 ARG 63 1HH2 ARG 63 -15.729 0.368 -6.888 527 H ARG 64 H ARG 64 -9.032 3.557 -5.205 528 HA ARG 64 HA ARG 64 -9.710 6.412 -4.949 529 HB2 ARG 64 1HB ARG 64 -11.385 4.543 -4.095 530 HB3 ARG 64 2HB ARG 64 -10.300 4.530 -2.712 531 HG2 ARG 64 1HG ARG 64 -10.655 6.988 -2.499 532 HG3 ARG 64 2HG ARG 64 -11.879 6.863 -3.765 533 HD2 ARG 64 1HD ARG 64 -11.943 5.292 -1.194 534 HD3 ARG 64 2HD ARG 64 -12.778 6.827 -1.430 535 HE ARG 64 HE ARG 64 -13.405 4.792 -3.380 536 HH11 ARG 64 2HH1 ARG 64 -14.232 6.232 -0.321 537 HH12 ARG 64 1HH1 ARG 64 -15.871 5.672 -0.352 538 HH21 ARG 64 2HH2 ARG 64 -15.560 4.048 -3.433 539 HH22 ARG 64 1HH2 ARG 64 -16.625 4.429 -2.123 540 H ILE 65 H ILE 65 -8.004 3.659 -3.514 541 HA ILE 65 HA ILE 65 -6.602 5.061 -1.536 542 HB ILE 65 HB ILE 65 -5.727 2.591 -3.038 543 HG12 ILE 65 1HG1 ILE 65 -7.523 3.061 -0.692 544 HG13 ILE 65 2HG1 ILE 65 -7.719 1.948 -2.041 545 HG21 ILE 65 1HG2 ILE 65 -4.021 2.307 -1.564 546 HG22 ILE 65 2HG2 ILE 65 -4.096 4.068 -1.549 547 HG23 ILE 65 3HG2 ILE 65 -4.862 3.142 -0.258 548 HD11 ILE 65 1HD1 ILE 65 -5.500 0.950 -0.839 549 HD12 ILE 65 2HD1 ILE 65 -6.408 1.567 0.542 550 HD13 ILE 65 3HD1 ILE 65 -7.147 0.393 -0.547 551 H LEU 66 H LEU 66 -5.316 3.910 -4.663 552 HA LEU 66 HA LEU 66 -2.882 5.129 -4.658 553 HB2 LEU 66 1HB LEU 66 -3.274 3.766 -6.479 554 HB3 LEU 66 2HB LEU 66 -4.823 4.525 -6.842 555 HG LEU 66 HG LEU 66 -3.685 6.460 -7.770 556 HD11 LEU 66 1HD1 LEU 66 -1.213 6.371 -8.081 557 HD12 LEU 66 2HD1 LEU 66 -1.175 5.001 -6.972 558 HD13 LEU 66 3HD1 LEU 66 -1.728 6.576 -6.406 559 HD21 LEU 66 1HD2 LEU 66 -2.871 5.463 -9.763 560 HD22 LEU 66 2HD2 LEU 66 -4.143 4.406 -9.149 561 HD23 LEU 66 3HD2 LEU 66 -2.448 3.970 -8.923 562 HA PRO 67 HA PRO 67 -4.775 9.195 -6.477 563 HB2 PRO 67 1HB PRO 67 -7.473 9.462 -6.340 564 HB3 PRO 67 2HB PRO 67 -6.649 8.737 -7.725 565 HG2 PRO 67 1HG PRO 67 -8.016 7.401 -5.421 566 HG3 PRO 67 2HG PRO 67 -8.079 6.996 -7.147 567 HD2 PRO 67 1HD PRO 67 -6.519 5.649 -5.391 568 HD3 PRO 67 2HD PRO 67 -6.059 5.887 -7.089 569 H ASP 68 H ASP 68 -5.627 7.637 -3.588 570 HA ASP 68 HA ASP 68 -6.419 10.097 -2.231 571 HB2 ASP 68 1HB ASP 68 -6.534 7.192 -1.591 572 HB3 ASP 68 2HB ASP 68 -6.405 8.315 -0.241 573 H MET 69 H MET 69 -3.742 7.849 -2.436 574 HA MET 69 HA MET 69 -2.313 8.935 -0.204 575 HB2 MET 69 1HB MET 69 -0.382 7.622 -1.265 576 HB3 MET 69 2HB MET 69 -1.773 6.706 -0.699 577 HG2 MET 69 1HG MET 69 -2.592 6.430 -2.915 578 HG3 MET 69 2HG MET 69 -1.400 7.559 -3.555 579 HE1 MET 69 1HE MET 69 -1.237 4.601 -1.004 580 HE2 MET 69 2HE MET 69 -2.093 3.881 -2.368 581 HE3 MET 69 3HE MET 69 -0.465 3.336 -1.961 582 H LEU 70 H LEU 70 -2.627 9.721 -3.550 583 HA LEU 70 HA LEU 70 -0.187 11.121 -3.891 584 HB2 LEU 70 1HB LEU 70 -2.755 10.893 -5.338 585 HB3 LEU 70 2HB LEU 70 -1.796 12.335 -5.662 586 HG LEU 70 HG LEU 70 0.101 10.873 -6.306 587 HD11 LEU 70 1HD1 LEU 70 -0.045 8.572 -6.425 588 HD12 LEU 70 2HD1 LEU 70 -1.808 8.576 -6.402 589 HD13 LEU 70 3HD1 LEU 70 -0.907 8.920 -4.926 590 HD21 LEU 70 1HD2 LEU 70 -1.792 11.759 -7.855 591 HD22 LEU 70 2HD2 LEU 70 -2.262 10.062 -7.947 592 HD23 LEU 70 3HD2 LEU 70 -0.651 10.561 -8.466 593 H GLN 71 H GLN 71 -3.466 12.183 -3.035 594 HA GLN 71 HA GLN 71 -3.095 14.909 -2.958 595 HB2 GLN 71 1HB GLN 71 -4.751 13.166 -1.130 596 HB3 GLN 71 2HB GLN 71 -4.865 14.920 -1.177 597 HG2 GLN 71 1HG GLN 71 -5.491 13.006 -3.412 598 HG3 GLN 71 2HG GLN 71 -6.637 13.969 -2.480 599 HE21 GLN 71 1HE2 GLN 71 -6.256 16.360 -2.580 600 HE22 GLN 71 2HE2 GLN 71 -5.818 17.023 -4.114 601 H GLN 72 H GLN 72 -2.853 16.351 -1.075 602 HA GLN 72 HA GLN 72 -0.423 16.141 0.163 603 HB2 GLN 72 1HB GLN 72 -1.844 18.189 0.063 604 HB3 GLN 72 2HB GLN 72 -2.840 17.516 1.347 605 HG2 GLN 72 1HG GLN 72 0.090 17.778 1.790 606 HG3 GLN 72 2HG GLN 72 -0.922 19.219 1.868 607 HE21 GLN 72 1HE2 GLN 72 -2.048 19.609 3.667 608 HE22 GLN 72 2HE2 GLN 72 -2.170 18.535 5.014 609 H ARG 73 H ARG 73 0.408 14.956 1.751 610 HA ARG 73 HA ARG 73 -1.284 13.969 3.901 611 HB2 ARG 73 1HB ARG 73 -1.079 12.303 1.851 612 HB3 ARG 73 2HB ARG 73 0.473 11.940 2.595 613 HG2 ARG 73 1HG ARG 73 -1.198 10.372 3.347 614 HG3 ARG 73 2HG ARG 73 -0.677 11.389 4.692 615 HD2 ARG 73 1HD ARG 73 -2.668 12.599 4.706 616 HD3 ARG 73 2HD ARG 73 -3.086 12.110 3.065 617 HE ARG 73 HE ARG 73 -2.977 9.923 4.923 618 HH11 ARG 73 2HH1 ARG 73 -4.964 12.458 3.603 619 HH12 ARG 73 1HH1 ARG 73 -6.457 11.657 3.967 620 HH21 ARG 73 2HH2 ARG 73 -4.935 8.858 5.408 621 HH22 ARG 73 1HH2 ARG 73 -6.439 9.609 4.995 622 H ARG 74 H ARG 74 0.010 12.934 5.638 623 HA ARG 74 HA ARG 74 1.935 14.474 6.697 624 HB2 ARG 74 1HB ARG 74 0.843 12.287 7.592 625 HB3 ARG 74 2HB ARG 74 2.267 11.501 6.923 626 HG2 ARG 74 1HG ARG 74 3.706 12.565 8.406 627 HG3 ARG 74 2HG ARG 74 2.529 13.822 8.792 628 HD2 ARG 74 1HD ARG 74 2.196 10.911 9.501 629 HD3 ARG 74 2HD ARG 74 2.860 12.125 10.594 630 HE ARG 74 HE ARG 74 0.314 12.898 9.574 631 HH11 ARG 74 2HH1 ARG 74 1.883 10.870 11.929 632 HH12 ARG 74 1HH1 ARG 74 0.531 10.858 13.012 633 HH21 ARG 74 2HH2 ARG 74 -1.473 12.889 10.992 634 HH22 ARG 74 1HH2 ARG 74 -1.378 12.006 12.478 635 H ASN 75 H ASN 75 2.826 11.466 4.992 636 HA ASN 75 HA ASN 75 5.539 11.920 4.818 637 HB2 ASN 75 1HB ASN 75 5.504 10.387 2.853 638 HB3 ASN 75 2HB ASN 75 4.587 9.775 4.227 639 HD21 ASN 75 1HD2 ASN 75 3.258 8.467 3.046 640 HD22 ASN 75 2HD2 ASN 75 2.057 9.068 1.959 641 H ASP 76 H ASP 76 6.867 12.508 2.951 642 HA ASP 76 HA ASP 76 5.727 14.829 1.564 643 HB2 ASP 76 1HB ASP 76 7.950 15.663 1.334 644 HB3 ASP 76 2HB ASP 76 7.797 15.088 2.992 645 HA PRO 77 HA PRO 77 5.719 12.051 -1.986 646 HB2 PRO 77 1HB PRO 77 4.200 13.683 -3.535 647 HB3 PRO 77 2HB PRO 77 3.516 12.630 -2.291 648 HG2 PRO 77 1HG PRO 77 4.131 15.557 -2.166 649 HG3 PRO 77 2HG PRO 77 2.705 14.687 -1.571 650 HD2 PRO 77 1HD PRO 77 4.724 15.462 0.059 651 HD3 PRO 77 2HD PRO 77 3.776 13.989 0.347 652 H SER 78 H SER 78 7.126 11.964 -3.635 653 HA SER 78 HA SER 78 9.141 13.833 -4.003 654 HB2 SER 78 1HB SER 78 8.098 11.601 -5.729 655 HB3 SER 78 2HB SER 78 9.412 12.635 -6.289 656 HG SER 78 HG SER 78 9.883 10.592 -5.020 657 H GLY 79 H GLY 79 9.576 15.380 -5.602 658 HA2 GLY 79 1HA GLY 79 7.154 16.430 -6.928 659 HA3 GLY 79 2HA GLY 79 8.473 17.434 -6.343 660 HA PRO 80 HA PRO 80 10.140 15.156 -10.278 661 HB2 PRO 80 1HB PRO 80 8.307 13.807 -11.758 662 HB3 PRO 80 2HB PRO 80 9.233 13.052 -10.455 663 HG2 PRO 80 1HG PRO 80 6.434 14.114 -10.420 664 HG3 PRO 80 2HG PRO 80 7.071 12.613 -9.722 665 HD2 PRO 80 1HD PRO 80 6.602 14.827 -8.235 666 HD3 PRO 80 2HD PRO 80 7.910 13.685 -7.862 667 H SER 81 H SER 81 10.461 16.443 -11.992 668 HA SER 81 HA SER 81 8.237 18.166 -12.850 669 HB2 SER 81 1HB SER 81 10.380 19.192 -11.902 670 HB3 SER 81 2HB SER 81 11.164 18.663 -13.390 671 HG SER 81 HG SER 81 10.400 20.417 -14.235 672 H SER 82 H SER 82 7.990 18.637 -15.098 673 HA SER 82 HA SER 82 7.776 16.561 -16.803 674 HB2 SER 82 1HB SER 82 6.996 18.916 -17.220 675 HB3 SER 82 2HB SER 82 8.638 19.310 -17.728 676 HG SER 82 HG SER 82 8.341 18.257 -19.543 677 H GLY 83 H GLY 83 10.615 18.720 -16.695 678 HA2 GLY 83 1HA GLY 83 12.129 16.638 -18.136 679 HA3 GLY 83 2HA GLY 83 12.522 18.351 -18.148 Start of MODEL 16 1 H1 GLY 1 H GLY 1 11.960 -31.888 0.425 2 HA2 GLY 1 1HA GLY 1 14.078 -30.043 -0.147 3 HA3 GLY 1 2HA GLY 1 14.064 -31.402 -1.261 4 H SER 2 H SER 2 11.679 -31.888 -2.037 5 HA SER 2 HA SER 2 10.555 -29.308 -2.912 6 HB2 SER 2 1HB SER 2 10.497 -31.947 -4.394 7 HB3 SER 2 2HB SER 2 9.875 -30.406 -4.983 8 HG SER 2 HG SER 2 12.534 -30.470 -4.163 9 H SER 3 H SER 3 9.077 -29.171 -1.204 10 HA SER 3 HA SER 3 6.706 -30.823 -1.568 11 HB2 SER 3 1HB SER 3 8.172 -30.574 1.066 12 HB3 SER 3 2HB SER 3 6.514 -31.157 0.922 13 HG SER 3 HG SER 3 8.686 -32.576 0.708 14 H GLY 4 H GLY 4 4.890 -29.976 -0.087 15 HA2 GLY 4 1HA GLY 4 4.149 -27.991 1.187 16 HA3 GLY 4 2HA GLY 4 5.103 -27.031 0.066 17 H SER 5 H SER 5 2.130 -27.257 0.814 18 HA SER 5 HA SER 5 1.147 -26.696 -1.816 19 HB2 SER 5 1HB SER 5 0.366 -29.262 -0.441 20 HB3 SER 5 2HB SER 5 -0.695 -28.483 -1.614 21 HG SER 5 HG SER 5 1.938 -29.449 -2.035 22 H SER 6 H SER 6 -0.874 -25.677 -1.799 23 HA SER 6 HA SER 6 -2.537 -25.518 0.490 24 HB2 SER 6 1HB SER 6 -2.077 -23.310 1.279 25 HB3 SER 6 2HB SER 6 -0.529 -24.153 1.223 26 HG SER 6 HG SER 6 -1.001 -21.880 0.154 27 H GLY 7 H GLY 7 -4.298 -23.924 0.208 28 HA2 GLY 7 1HA GLY 7 -4.671 -22.407 -2.114 29 HA3 GLY 7 2HA GLY 7 -5.328 -24.009 -2.414 30 H LYS 8 H LYS 8 -6.337 -21.087 -1.782 31 HA LYS 8 HA LYS 8 -8.714 -22.015 -0.401 32 HB2 LYS 8 1HB LYS 8 -6.739 -20.134 0.790 33 HB3 LYS 8 2HB LYS 8 -8.445 -19.775 1.026 34 HG2 LYS 8 1HG LYS 8 -8.751 -22.037 1.973 35 HG3 LYS 8 2HG LYS 8 -7.012 -22.301 1.821 36 HD2 LYS 8 1HD LYS 8 -8.163 -19.981 3.351 37 HD3 LYS 8 2HD LYS 8 -7.868 -21.553 4.098 38 HE2 LYS 8 1HE LYS 8 -5.486 -21.319 3.167 39 HE3 LYS 8 2HE LYS 8 -5.889 -19.618 2.937 40 HZ1 LYS 8 1HZ LYS 8 -6.670 -20.030 5.468 41 HZ2 LYS 8 2HZ LYS 8 -5.154 -19.424 5.028 42 HZ3 LYS 8 3HZ LYS 8 -5.339 -21.070 5.374 43 H LYS 9 H LYS 9 -10.312 -20.093 -0.197 44 HA LYS 9 HA LYS 9 -9.996 -18.047 -2.220 45 HB2 LYS 9 1HB LYS 9 -11.983 -18.669 -3.488 46 HB3 LYS 9 2HB LYS 9 -10.796 -19.966 -3.533 47 HG2 LYS 9 1HG LYS 9 -12.070 -21.087 -1.700 48 HG3 LYS 9 2HG LYS 9 -13.315 -19.850 -1.892 49 HD2 LYS 9 1HD LYS 9 -13.636 -20.520 -4.215 50 HD3 LYS 9 2HD LYS 9 -12.363 -21.732 -4.053 51 HE2 LYS 9 1HE LYS 9 -13.652 -22.990 -2.496 52 HE3 LYS 9 2HE LYS 9 -14.843 -21.699 -2.345 53 HZ1 LYS 9 1HZ LYS 9 -14.597 -23.752 -4.358 54 HZ2 LYS 9 2HZ LYS 9 -14.892 -22.208 -4.983 55 HZ3 LYS 9 3HZ LYS 9 -15.960 -22.883 -3.858 56 H ARG 10 H ARG 10 -10.738 -16.251 -1.322 57 HA ARG 10 HA ARG 10 -13.246 -16.317 0.176 58 HB2 ARG 10 1HB ARG 10 -10.674 -15.147 1.253 59 HB3 ARG 10 2HB ARG 10 -12.261 -14.917 1.976 60 HG2 ARG 10 1HG ARG 10 -11.168 -17.666 1.533 61 HG3 ARG 10 2HG ARG 10 -10.698 -16.716 2.944 62 HD2 ARG 10 1HD ARG 10 -13.534 -17.380 2.161 63 HD3 ARG 10 2HD ARG 10 -12.598 -18.226 3.393 64 HE ARG 10 HE ARG 10 -13.830 -15.620 3.618 65 HH11 ARG 10 2HH1 ARG 10 -11.492 -17.855 4.905 66 HH12 ARG 10 1HH1 ARG 10 -11.469 -17.128 6.478 67 HH21 ARG 10 2HH2 ARG 10 -13.809 -14.654 5.684 68 HH22 ARG 10 1HH2 ARG 10 -12.788 -15.308 6.920 69 H LYS 11 H LYS 11 -14.169 -14.167 0.507 70 HA LYS 11 HA LYS 11 -13.166 -12.176 -1.417 71 HB2 LYS 11 1HB LYS 11 -15.491 -11.628 -2.000 72 HB3 LYS 11 2HB LYS 11 -15.097 -13.296 -2.396 73 HG2 LYS 11 1HG LYS 11 -16.116 -13.776 -0.032 74 HG3 LYS 11 2HG LYS 11 -16.909 -12.221 -0.294 75 HD2 LYS 11 1HD LYS 11 -18.049 -12.995 -2.190 76 HD3 LYS 11 2HD LYS 11 -16.981 -14.389 -2.371 77 HE2 LYS 11 1HE LYS 11 -17.887 -15.191 -0.144 78 HE3 LYS 11 2HE LYS 11 -19.112 -13.933 -0.295 79 HZ1 LYS 11 1HZ LYS 11 -18.964 -15.419 -2.690 80 HZ2 LYS 11 2HZ LYS 11 -20.276 -15.228 -1.640 81 HZ3 LYS 11 3HZ LYS 11 -19.166 -16.479 -1.387 82 H GLY 12 H GLY 12 -14.275 -9.982 -1.021 83 HA2 GLY 12 1HA GLY 12 -15.307 -8.518 0.611 84 HA3 GLY 12 2HA GLY 12 -14.659 -9.556 1.872 85 H ASN 13 H ASN 13 -14.236 -6.935 2.161 86 HA ASN 13 HA ASN 13 -11.787 -6.061 0.954 87 HB2 ASN 13 1HB ASN 13 -13.288 -4.951 3.337 88 HB3 ASN 13 2HB ASN 13 -11.973 -4.144 2.488 89 HD21 ASN 13 1HD2 ASN 13 -12.330 -3.764 0.150 90 HD22 ASN 13 2HD2 ASN 13 -13.922 -3.328 -0.359 91 H LEU 14 H LEU 14 -10.050 -5.164 2.571 92 HA LEU 14 HA LEU 14 -9.316 -7.405 4.331 93 HB2 LEU 14 1HB LEU 14 -7.422 -5.334 3.271 94 HB3 LEU 14 2HB LEU 14 -7.052 -6.929 3.924 95 HG LEU 14 HG LEU 14 -8.600 -6.642 1.373 96 HD11 LEU 14 1HD1 LEU 14 -5.692 -7.075 1.182 97 HD12 LEU 14 2HD1 LEU 14 -6.207 -5.436 1.579 98 HD13 LEU 14 3HD1 LEU 14 -6.788 -6.210 0.105 99 HD21 LEU 14 1HD2 LEU 14 -7.732 -8.790 2.959 100 HD22 LEU 14 2HD2 LEU 14 -6.706 -8.789 1.524 101 HD23 LEU 14 3HD2 LEU 14 -8.461 -8.857 1.354 102 HA PRO 15 HA PRO 15 -9.502 -4.836 7.889 103 HB2 PRO 15 1HB PRO 15 -7.564 -5.962 9.421 104 HB3 PRO 15 2HB PRO 15 -9.124 -6.737 9.122 105 HG2 PRO 15 1HG PRO 15 -6.483 -7.227 7.802 106 HG3 PRO 15 2HG PRO 15 -7.692 -8.400 8.355 107 HD2 PRO 15 1HD PRO 15 -7.449 -7.672 5.758 108 HD3 PRO 15 2HD PRO 15 -9.008 -8.115 6.484 109 H ALA 16 H ALA 16 -8.722 -2.884 8.403 110 HA ALA 16 HA ALA 16 -6.868 -1.448 7.130 111 HB1 ALA 16 1HB ALA 16 -7.081 0.106 8.755 112 HB2 ALA 16 2HB ALA 16 -8.352 -0.981 9.318 113 HB3 ALA 16 3HB ALA 16 -6.749 -1.044 10.051 114 H GLU 17 H GLU 17 -6.023 -3.037 10.216 115 HA GLU 17 HA GLU 17 -3.378 -2.646 10.363 116 HB2 GLU 17 1HB GLU 17 -4.975 -4.213 11.743 117 HB3 GLU 17 2HB GLU 17 -4.302 -5.469 10.714 118 HG2 GLU 17 1HG GLU 17 -2.033 -4.764 11.441 119 HG3 GLU 17 2HG GLU 17 -2.795 -3.653 12.578 120 H SER 18 H SER 18 -4.820 -5.289 8.456 121 HA SER 18 HA SER 18 -2.360 -6.130 7.326 122 HB2 SER 18 1HB SER 18 -5.208 -6.583 6.402 123 HB3 SER 18 2HB SER 18 -3.797 -7.410 5.742 124 HG SER 18 HG SER 18 -4.273 -8.783 7.282 125 H VAL 19 H VAL 19 -4.827 -3.837 6.337 126 HA VAL 19 HA VAL 19 -4.061 -3.452 3.677 127 HB VAL 19 HB VAL 19 -5.235 -1.440 5.601 128 HG11 VAL 19 1HG1 VAL 19 -4.681 -1.355 2.673 129 HG12 VAL 19 2HG1 VAL 19 -6.116 -0.541 3.301 130 HG13 VAL 19 3HG1 VAL 19 -4.515 -0.088 3.888 131 HG21 VAL 19 1HG2 VAL 19 -6.355 -3.660 4.011 132 HG22 VAL 19 2HG2 VAL 19 -6.925 -2.942 5.518 133 HG23 VAL 19 3HG2 VAL 19 -7.261 -2.147 3.980 134 H LYS 20 H LYS 20 -3.070 -1.658 6.590 135 HA LYS 20 HA LYS 20 -1.442 0.251 5.586 136 HB2 LYS 20 1HB LYS 20 -1.760 0.024 7.963 137 HB3 LYS 20 2HB LYS 20 -0.928 -1.526 7.974 138 HG2 LYS 20 1HG LYS 20 1.123 -0.275 7.174 139 HG3 LYS 20 2HG LYS 20 0.243 1.207 7.557 140 HD2 LYS 20 1HD LYS 20 1.511 0.760 9.478 141 HD3 LYS 20 2HD LYS 20 -0.110 0.185 9.875 142 HE2 LYS 20 1HE LYS 20 0.797 -2.086 8.942 143 HE3 LYS 20 2HE LYS 20 2.371 -1.369 9.285 144 HZ1 LYS 20 1HZ LYS 20 0.888 -2.723 11.068 145 HZ2 LYS 20 2HZ LYS 20 0.454 -1.129 11.430 146 HZ3 LYS 20 3HZ LYS 20 2.080 -1.594 11.478 147 H ILE 21 H ILE 21 -0.565 -3.156 6.031 148 HA ILE 21 HA ILE 21 2.110 -2.982 5.246 149 HB ILE 21 HB ILE 21 0.178 -5.279 4.927 150 HG12 ILE 21 1HG1 ILE 21 1.802 -6.035 6.907 151 HG13 ILE 21 2HG1 ILE 21 1.942 -4.292 7.115 152 HG21 ILE 21 1HG2 ILE 21 2.953 -6.026 5.143 153 HG22 ILE 21 2HG2 ILE 21 1.759 -6.478 3.927 154 HG23 ILE 21 3HG2 ILE 21 2.684 -4.987 3.743 155 HD11 ILE 21 1HD1 ILE 21 0.029 -4.267 8.214 156 HD12 ILE 21 2HD1 ILE 21 -0.805 -4.939 6.813 157 HD13 ILE 21 3HD1 ILE 21 -0.100 -6.014 8.019 158 H LEU 22 H LEU 22 -0.808 -3.569 3.315 159 HA LEU 22 HA LEU 22 0.591 -3.849 0.849 160 HB2 LEU 22 1HB LEU 22 -2.301 -3.203 1.401 161 HB3 LEU 22 2HB LEU 22 -1.641 -3.628 -0.177 162 HG LEU 22 HG LEU 22 -1.835 -5.415 2.245 163 HD11 LEU 22 1HD1 LEU 22 -3.911 -5.633 1.407 164 HD12 LEU 22 2HD1 LEU 22 -3.113 -6.678 0.233 165 HD13 LEU 22 3HD1 LEU 22 -3.457 -4.997 -0.174 166 HD21 LEU 22 1HD2 LEU 22 -0.385 -5.705 -0.349 167 HD22 LEU 22 2HD2 LEU 22 -1.091 -7.126 0.423 168 HD23 LEU 22 3HD2 LEU 22 0.117 -6.166 1.278 169 H ARG 23 H ARG 23 -1.464 -1.229 2.133 170 HA ARG 23 HA ARG 23 -1.160 0.620 0.131 171 HB2 ARG 23 1HB ARG 23 -1.561 0.852 3.082 172 HB3 ARG 23 2HB ARG 23 -1.237 2.312 2.157 173 HG2 ARG 23 1HG ARG 23 -3.158 1.606 0.655 174 HG3 ARG 23 2HG ARG 23 -3.555 0.425 1.905 175 HD2 ARG 23 1HD ARG 23 -4.883 2.248 2.460 176 HD3 ARG 23 2HD ARG 23 -3.483 2.436 3.514 177 HE ARG 23 HE ARG 23 -3.268 3.849 1.016 178 HH11 ARG 23 2HH1 ARG 23 -4.402 3.981 4.305 179 HH12 ARG 23 1HH1 ARG 23 -4.372 5.711 4.384 180 HH21 ARG 23 2HH2 ARG 23 -3.224 6.128 1.107 181 HH22 ARG 23 1HH2 ARG 23 -3.702 6.931 2.564 182 H ASP 24 H ASP 24 0.852 0.484 3.076 183 HA ASP 24 HA ASP 24 2.678 2.401 2.639 184 HB2 ASP 24 1HB ASP 24 2.583 0.461 4.422 185 HB3 ASP 24 2HB ASP 24 3.771 -0.289 3.358 186 H TRP 25 H TRP 25 2.780 -0.810 1.127 187 HA TRP 25 HA TRP 25 5.122 -0.232 -0.407 188 HB2 TRP 25 1HB TRP 25 4.633 -2.527 0.161 189 HB3 TRP 25 2HB TRP 25 3.061 -2.433 -0.628 190 HD1 TRP 25 HD TRP 25 6.644 -3.267 -1.293 191 HE1 TRP 25 1HE TRP 25 6.965 -3.832 -3.783 192 HE3 TRP 25 3HE TRP 25 2.121 -1.683 -3.073 193 HZ2 TRP 25 2HZ TRP 25 5.495 -3.632 -6.185 194 HZ3 TRP 25 3HZ TRP 25 1.658 -1.904 -5.480 195 HH2 TRP 25 HH TRP 25 3.311 -2.858 -7.002 196 H MET 26 H MET 26 1.648 -0.195 -1.036 197 HA MET 26 HA MET 26 1.749 0.217 -3.806 198 HB2 MET 26 1HB MET 26 -0.334 -0.388 -2.828 199 HB3 MET 26 2HB MET 26 -0.296 0.983 -1.728 200 HG2 MET 26 1HG MET 26 -0.352 2.417 -3.866 201 HG3 MET 26 2HG MET 26 -0.886 0.936 -4.657 202 HE1 MET 26 1HE MET 26 -4.501 0.749 -4.014 203 HE2 MET 26 2HE MET 26 -3.380 1.183 -5.304 204 HE3 MET 26 3HE MET 26 -3.067 -0.236 -4.305 205 H TYR 27 H TYR 27 2.307 2.362 -1.142 206 HA TYR 27 HA TYR 27 1.918 4.806 -2.549 207 HB2 TYR 27 1HB TYR 27 1.866 4.613 -0.071 208 HB3 TYR 27 2HB TYR 27 3.597 4.297 -0.084 209 HD1 TYR 27 2HD TYR 27 1.151 6.842 -1.315 210 HD2 TYR 27 1HD TYR 27 5.032 6.075 0.251 211 HE1 TYR 27 2HE TYR 27 1.587 9.261 -1.226 212 HE2 TYR 27 1HE TYR 27 5.478 8.492 0.345 213 HH TYR 27 HH TYR 27 4.072 10.618 0.506 214 H LYS 28 H LYS 28 4.863 3.061 -1.557 215 HA LYS 28 HA LYS 28 6.687 4.755 -2.846 216 HB2 LYS 28 1HB LYS 28 6.853 1.852 -2.044 217 HB3 LYS 28 2HB LYS 28 8.210 2.714 -2.757 218 HG2 LYS 28 1HG LYS 28 8.084 4.349 -0.898 219 HG3 LYS 28 2HG LYS 28 6.826 3.353 -0.162 220 HD2 LYS 28 1HD LYS 28 8.588 1.444 -0.414 221 HD3 LYS 28 2HD LYS 28 9.738 2.779 -0.520 222 HE2 LYS 28 1HE LYS 28 7.731 2.548 1.707 223 HE3 LYS 28 2HE LYS 28 9.321 1.790 1.788 224 HZ1 LYS 28 1HZ LYS 28 9.534 3.862 2.838 225 HZ2 LYS 28 2HZ LYS 28 8.687 4.677 1.622 226 HZ3 LYS 28 3HZ LYS 28 10.237 4.074 1.314 227 H HIS 29 H HIS 29 5.004 1.856 -3.968 228 HA HIS 29 HA HIS 29 6.220 2.145 -6.612 229 HB2 HIS 29 1HB HIS 29 4.381 -0.021 -5.575 230 HB3 HIS 29 2HB HIS 29 5.252 -0.039 -7.106 231 HD1 HIS 29 1HD HIS 29 7.839 -0.416 -6.987 232 HD2 HIS 29 2HD HIS 29 5.857 -0.779 -3.354 233 HE1 HIS 29 1HE HIS 29 9.472 -1.539 -5.440 234 HE2 HIS 29 2HE HIS 29 8.221 -1.825 -3.272 235 H ARG 30 H ARG 30 3.733 3.512 -5.080 236 HA ARG 30 HA ARG 30 1.396 3.218 -6.385 237 HB2 ARG 30 1HB ARG 30 0.830 5.391 -5.772 238 HB3 ARG 30 2HB ARG 30 2.114 4.989 -4.639 239 HG2 ARG 30 1HG ARG 30 3.687 6.125 -6.307 240 HG3 ARG 30 2HG ARG 30 2.220 6.791 -7.028 241 HD2 ARG 30 1HD ARG 30 1.608 7.695 -4.792 242 HD3 ARG 30 2HD ARG 30 3.171 7.143 -4.189 243 HE ARG 30 HE ARG 30 3.389 8.834 -6.493 244 HH11 ARG 30 2HH1 ARG 30 3.042 8.783 -3.029 245 HH12 ARG 30 1HH1 ARG 30 3.746 10.350 -2.805 246 HH21 ARG 30 2HH2 ARG 30 4.318 10.898 -6.211 247 HH22 ARG 30 1HH2 ARG 30 4.471 11.553 -4.616 248 H PHE 31 H PHE 31 4.278 4.772 -7.676 249 HA PHE 31 HA PHE 31 3.528 6.112 -9.854 250 HB2 PHE 31 1HB PHE 31 5.668 3.975 -9.793 251 HB3 PHE 31 2HB PHE 31 5.511 5.190 -11.057 252 HD1 PHE 31 1HD PHE 31 4.839 7.575 -9.445 253 HD2 PHE 31 2HD PHE 31 7.695 4.490 -8.781 254 HE1 PHE 31 1HE PHE 31 6.207 9.132 -8.119 255 HE2 PHE 31 2HE PHE 31 9.067 6.041 -7.454 256 HZ PHE 31 HZ PHE 31 8.324 8.365 -7.120 257 H LYS 32 H LYS 32 3.409 2.597 -9.564 258 HA LYS 32 HA LYS 32 1.835 2.518 -12.055 259 HB2 LYS 32 1HB LYS 32 2.728 0.372 -12.566 260 HB3 LYS 32 2HB LYS 32 4.095 1.402 -12.162 261 HG2 LYS 32 1HG LYS 32 2.886 -0.205 -9.982 262 HG3 LYS 32 2HG LYS 32 3.843 -1.048 -11.202 263 HD2 LYS 32 1HD LYS 32 4.865 1.405 -9.797 264 HD3 LYS 32 2HD LYS 32 5.059 -0.210 -9.112 265 HE2 LYS 32 1HE LYS 32 6.278 -0.931 -11.076 266 HE3 LYS 32 2HE LYS 32 6.006 0.630 -11.850 267 HZ1 LYS 32 1HZ LYS 32 8.170 0.697 -10.977 268 HZ2 LYS 32 2HZ LYS 32 7.697 0.040 -9.492 269 HZ3 LYS 32 3HZ LYS 32 7.236 1.615 -9.906 270 H ALA 33 H ALA 33 2.116 1.551 -8.732 271 HA ALA 33 HA ALA 33 0.660 0.591 -7.269 272 HB1 ALA 33 1HB ALA 33 -1.529 1.270 -7.383 273 HB2 ALA 33 2HB ALA 33 -0.764 2.440 -8.459 274 HB3 ALA 33 3HB ALA 33 -1.620 1.053 -9.131 275 H TYR 34 H TYR 34 1.975 -1.259 -8.685 276 HA TYR 34 HA TYR 34 0.096 -3.443 -8.755 277 HB2 TYR 34 1HB TYR 34 1.422 -2.429 -11.253 278 HB3 TYR 34 2HB TYR 34 1.016 -4.134 -11.084 279 HD1 TYR 34 1HD TYR 34 -1.483 -4.580 -10.300 280 HD2 TYR 34 2HD TYR 34 -0.137 -1.033 -12.226 281 HE1 TYR 34 1HE TYR 34 -3.785 -4.109 -11.026 282 HE2 TYR 34 2HE TYR 34 -2.436 -0.551 -12.957 283 HH TYR 34 HH TYR 34 -4.971 -2.855 -12.687 284 HA PRO 35 HA PRO 35 4.010 -4.883 -7.037 285 HB2 PRO 35 1HB PRO 35 2.919 -7.032 -5.789 286 HB3 PRO 35 2HB PRO 35 2.852 -5.397 -5.120 287 HG2 PRO 35 1HG PRO 35 0.760 -6.911 -6.635 288 HG3 PRO 35 2HG PRO 35 0.583 -5.900 -5.189 289 HD2 PRO 35 1HD PRO 35 -0.036 -5.014 -7.672 290 HD3 PRO 35 2HD PRO 35 0.592 -3.941 -6.404 291 H SER 36 H SER 36 5.085 -7.071 -7.073 292 HA SER 36 HA SER 36 4.460 -8.422 -9.614 293 HB2 SER 36 1HB SER 36 6.691 -7.219 -9.369 294 HB3 SER 36 2HB SER 36 7.126 -8.461 -8.195 295 HG SER 36 HG SER 36 7.650 -8.731 -10.584 296 H GLU 37 H GLU 37 4.706 -10.707 -9.738 297 HA GLU 37 HA GLU 37 3.433 -12.252 -7.967 298 HB2 GLU 37 1HB GLU 37 5.880 -13.032 -9.557 299 HB3 GLU 37 2HB GLU 37 4.836 -14.186 -8.740 300 HG2 GLU 37 1HG GLU 37 2.946 -13.413 -10.108 301 HG3 GLU 37 2HG GLU 37 4.034 -12.318 -10.958 302 H GLU 38 H GLU 38 6.700 -11.080 -7.605 303 HA GLU 38 HA GLU 38 7.300 -12.761 -5.344 304 HB2 GLU 38 1HB GLU 38 8.712 -10.391 -6.567 305 HB3 GLU 38 2HB GLU 38 9.313 -11.238 -5.149 306 HG2 GLU 38 1HG GLU 38 9.180 -13.345 -6.618 307 HG3 GLU 38 2HG GLU 38 9.083 -12.214 -7.966 308 H GLU 39 H GLU 39 6.611 -9.304 -5.825 309 HA GLU 39 HA GLU 39 6.779 -8.469 -3.187 310 HB2 GLU 39 1HB GLU 39 4.790 -7.447 -5.218 311 HB3 GLU 39 2HB GLU 39 5.421 -6.578 -3.827 312 HG2 GLU 39 1HG GLU 39 6.921 -7.399 -6.299 313 HG3 GLU 39 2HG GLU 39 6.508 -5.764 -5.785 314 H LYS 40 H LYS 40 3.916 -9.643 -4.944 315 HA LYS 40 HA LYS 40 2.074 -9.428 -2.864 316 HB2 LYS 40 1HB LYS 40 1.844 -11.752 -4.706 317 HB3 LYS 40 2HB LYS 40 0.626 -10.581 -4.216 318 HG2 LYS 40 1HG LYS 40 1.988 -8.910 -5.631 319 HG3 LYS 40 2HG LYS 40 2.711 -10.352 -6.347 320 HD2 LYS 40 1HD LYS 40 0.389 -11.161 -6.838 321 HD3 LYS 40 2HD LYS 40 -0.205 -9.584 -6.312 322 HE2 LYS 40 1HE LYS 40 1.023 -8.482 -8.061 323 HE3 LYS 40 2HE LYS 40 1.810 -9.991 -8.518 324 HZ1 LYS 40 1HZ LYS 40 -1.128 -9.654 -8.624 325 HZ2 LYS 40 2HZ LYS 40 -0.185 -10.846 -9.365 326 HZ3 LYS 40 3HZ LYS 40 -0.129 -9.252 -9.929 327 H GLN 41 H GLN 41 3.642 -12.447 -3.948 328 HA GLN 41 HA GLN 41 2.879 -14.122 -1.945 329 HB2 GLN 41 1HB GLN 41 4.392 -14.560 -3.994 330 HB3 GLN 41 2HB GLN 41 5.723 -14.152 -2.918 331 HG2 GLN 41 1HG GLN 41 5.393 -16.554 -3.042 332 HG3 GLN 41 2HG GLN 41 5.082 -15.951 -1.415 333 HE21 GLN 41 1HE2 GLN 41 2.958 -15.894 -0.646 334 HE22 GLN 41 2HE2 GLN 41 1.701 -16.828 -1.376 335 H MET 42 H MET 42 5.153 -11.507 -1.737 336 HA MET 42 HA MET 42 6.281 -12.343 0.776 337 HB2 MET 42 1HB MET 42 7.780 -11.047 -0.424 338 HB3 MET 42 2HB MET 42 6.536 -9.936 -0.981 339 HG2 MET 42 1HG MET 42 7.146 -10.024 1.923 340 HG3 MET 42 2HG MET 42 8.300 -9.245 0.843 341 HE1 MET 42 1HE MET 42 5.881 -7.327 -1.282 342 HE2 MET 42 2HE MET 42 7.049 -6.300 -0.451 343 HE3 MET 42 3HE MET 42 7.535 -7.892 -1.039 344 H LEU 43 H LEU 43 4.036 -9.785 -0.263 345 HA LEU 43 HA LEU 43 3.517 -8.756 2.300 346 HB2 LEU 43 1HB LEU 43 1.650 -8.778 -0.064 347 HB3 LEU 43 2HB LEU 43 1.602 -7.676 1.311 348 HG LEU 43 HG LEU 43 4.027 -7.743 -0.433 349 HD11 LEU 43 1HD1 LEU 43 2.354 -7.539 -2.088 350 HD12 LEU 43 2HD1 LEU 43 2.927 -5.903 -1.767 351 HD13 LEU 43 3HD1 LEU 43 1.393 -6.448 -1.090 352 HD21 LEU 43 1HD2 LEU 43 3.922 -5.283 0.175 353 HD22 LEU 43 2HD2 LEU 43 4.257 -6.406 1.493 354 HD23 LEU 43 3HD2 LEU 43 2.642 -5.720 1.307 355 H SER 44 H SER 44 1.832 -11.216 0.380 356 HA SER 44 HA SER 44 -0.384 -11.710 1.878 357 HB2 SER 44 1HB SER 44 -0.321 -13.097 0.053 358 HB3 SER 44 2HB SER 44 1.399 -13.439 0.239 359 HG SER 44 HG SER 44 -0.581 -14.420 2.011 360 H GLU 45 H GLU 45 2.916 -12.392 2.727 361 HA GLU 45 HA GLU 45 2.309 -14.172 4.888 362 HB2 GLU 45 1HB GLU 45 4.830 -12.613 4.291 363 HB3 GLU 45 2HB GLU 45 4.686 -13.896 5.484 364 HG2 GLU 45 1HG GLU 45 3.879 -15.311 3.449 365 HG3 GLU 45 2HG GLU 45 4.707 -14.069 2.511 366 H LYS 46 H LYS 46 2.970 -10.724 4.568 367 HA LYS 46 HA LYS 46 2.955 -10.244 7.400 368 HB2 LYS 46 1HB LYS 46 3.045 -8.511 4.955 369 HB3 LYS 46 2HB LYS 46 2.721 -7.792 6.527 370 HG2 LYS 46 1HG LYS 46 4.997 -7.555 6.366 371 HG3 LYS 46 2HG LYS 46 4.865 -9.075 7.254 372 HD2 LYS 46 1HD LYS 46 5.234 -10.340 5.234 373 HD3 LYS 46 2HD LYS 46 5.212 -8.865 4.264 374 HE2 LYS 46 1HE LYS 46 7.476 -9.257 4.493 375 HE3 LYS 46 2HE LYS 46 7.164 -8.132 5.814 376 HZ1 LYS 46 1HZ LYS 46 8.465 -10.410 6.138 377 HZ2 LYS 46 2HZ LYS 46 6.893 -10.963 6.430 378 HZ3 LYS 46 3HZ LYS 46 7.535 -9.708 7.365 379 H THR 47 H THR 47 0.638 -10.024 4.769 380 HA THR 47 HA THR 47 -1.398 -8.932 6.556 381 HB THR 47 HB THR 47 -2.817 -8.790 4.547 382 HG1 THR 47 1HG THR 47 -0.526 -9.836 3.205 383 HG21 THR 47 1HG2 THR 47 -1.639 -7.012 3.458 384 HG22 THR 47 2HG2 THR 47 -0.081 -7.644 3.993 385 HG23 THR 47 3HG2 THR 47 -1.210 -6.968 5.168 386 H ASN 48 H ASN 48 -0.375 -11.925 5.222 387 HA ASN 48 HA ASN 48 -1.103 -14.059 5.547 388 HB2 ASN 48 1HB ASN 48 -3.266 -12.915 7.320 389 HB3 ASN 48 2HB ASN 48 -2.625 -14.556 7.332 390 HD21 ASN 48 1HD2 ASN 48 -2.102 -11.264 8.263 391 HD22 ASN 48 2HD2 ASN 48 -0.757 -11.555 9.308 392 H LEU 49 H LEU 49 -2.045 -12.473 3.368 393 HA LEU 49 HA LEU 49 -4.751 -13.562 2.967 394 HB2 LEU 49 1HB LEU 49 -3.448 -11.350 1.398 395 HB3 LEU 49 2HB LEU 49 -5.142 -11.834 1.371 396 HG LEU 49 HG LEU 49 -3.853 -10.719 3.846 397 HD11 LEU 49 1HD1 LEU 49 -4.773 -9.308 1.406 398 HD12 LEU 49 2HD1 LEU 49 -3.507 -8.880 2.556 399 HD13 LEU 49 3HD1 LEU 49 -5.201 -8.612 2.969 400 HD21 LEU 49 1HD2 LEU 49 -6.035 -10.386 4.603 401 HD22 LEU 49 2HD2 LEU 49 -6.094 -11.967 3.822 402 HD23 LEU 49 3HD2 LEU 49 -6.721 -10.545 2.986 403 H SER 50 H SER 50 -5.050 -13.590 0.331 404 HA SER 50 HA SER 50 -2.938 -15.418 -0.604 405 HB2 SER 50 1HB SER 50 -5.837 -15.351 -1.470 406 HB3 SER 50 2HB SER 50 -4.629 -16.551 -1.927 407 HG SER 50 HG SER 50 -6.113 -17.107 -0.144 408 H LEU 51 H LEU 51 -1.960 -15.056 -2.521 409 HA LEU 51 HA LEU 51 -1.586 -12.682 -3.661 410 HB2 LEU 51 1HB LEU 51 -1.821 -15.342 -5.039 411 HB3 LEU 51 2HB LEU 51 -1.291 -13.887 -5.880 412 HG LEU 51 HG LEU 51 0.567 -13.732 -4.165 413 HD11 LEU 51 1HD1 LEU 51 -0.732 -16.260 -3.343 414 HD12 LEU 51 2HD1 LEU 51 0.137 -15.063 -2.384 415 HD13 LEU 51 3HD1 LEU 51 1.032 -16.230 -3.358 416 HD21 LEU 51 1HD2 LEU 51 1.736 -15.821 -5.258 417 HD22 LEU 51 2HD2 LEU 51 1.343 -14.392 -6.215 418 HD23 LEU 51 3HD2 LEU 51 0.297 -15.811 -6.278 419 H LEU 52 H LEU 52 -4.316 -14.801 -4.421 420 HA LEU 52 HA LEU 52 -5.447 -13.342 -6.499 421 HB2 LEU 52 1HB LEU 52 -6.264 -15.519 -6.002 422 HB3 LEU 52 2HB LEU 52 -6.703 -15.047 -4.362 423 HG LEU 52 HG LEU 52 -8.463 -13.576 -5.311 424 HD11 LEU 52 1HD1 LEU 52 -7.586 -14.847 -7.896 425 HD12 LEU 52 2HD1 LEU 52 -7.594 -13.131 -7.489 426 HD13 LEU 52 3HD1 LEU 52 -9.117 -13.999 -7.679 427 HD21 LEU 52 1HD2 LEU 52 -8.831 -15.958 -4.568 428 HD22 LEU 52 2HD2 LEU 52 -8.757 -16.414 -6.271 429 HD23 LEU 52 3HD2 LEU 52 -10.019 -15.318 -5.705 430 H GLN 53 H GLN 53 -6.164 -13.132 -3.015 431 HA GLN 53 HA GLN 53 -7.951 -10.947 -3.275 432 HB2 GLN 53 1HB GLN 53 -6.491 -12.189 -0.964 433 HB3 GLN 53 2HB GLN 53 -7.414 -10.708 -0.748 434 HG2 GLN 53 1HG GLN 53 -9.432 -11.747 -1.130 435 HG3 GLN 53 2HG GLN 53 -8.698 -13.071 -2.035 436 HE21 GLN 53 1HE2 GLN 53 -8.483 -11.644 1.211 437 HE22 GLN 53 2HE2 GLN 53 -8.512 -13.149 2.059 438 H ILE 54 H ILE 54 -4.492 -11.204 -2.842 439 HA ILE 54 HA ILE 54 -3.935 -8.592 -1.999 440 HB ILE 54 HB ILE 54 -2.247 -10.441 -3.689 441 HG12 ILE 54 1HG1 ILE 54 -2.883 -11.316 -1.457 442 HG13 ILE 54 2HG1 ILE 54 -1.154 -11.022 -1.597 443 HG21 ILE 54 1HG2 ILE 54 -1.858 -7.701 -3.004 444 HG22 ILE 54 2HG2 ILE 54 -0.662 -8.678 -2.155 445 HG23 ILE 54 3HG2 ILE 54 -0.796 -8.778 -3.910 446 HD11 ILE 54 1HD1 ILE 54 -1.509 -10.101 0.436 447 HD12 ILE 54 2HD1 ILE 54 -1.865 -8.688 -0.558 448 HD13 ILE 54 3HD1 ILE 54 -3.182 -9.675 0.076 449 H SER 55 H SER 55 -3.426 -9.863 -5.295 450 HA SER 55 HA SER 55 -3.079 -7.417 -6.549 451 HB2 SER 55 1HB SER 55 -2.672 -9.724 -7.523 452 HB3 SER 55 2HB SER 55 -4.403 -9.804 -7.846 453 HG SER 55 HG SER 55 -2.681 -8.836 -9.447 454 H ASN 56 H ASN 56 -6.075 -9.341 -6.357 455 HA ASN 56 HA ASN 56 -7.806 -7.693 -7.687 456 HB2 ASN 56 1HB ASN 56 -8.110 -9.607 -5.429 457 HB3 ASN 56 2HB ASN 56 -9.464 -8.531 -5.760 458 HD21 ASN 56 1HD2 ASN 56 -8.188 -11.472 -6.425 459 HD22 ASN 56 2HD2 ASN 56 -8.965 -11.794 -7.934 460 H TRP 57 H TRP 57 -6.623 -7.354 -4.387 461 HA TRP 57 HA TRP 57 -8.340 -5.234 -3.633 462 HB2 TRP 57 1HB TRP 57 -7.290 -6.404 -1.869 463 HB3 TRP 57 2HB TRP 57 -5.692 -6.219 -2.588 464 HD1 TRP 57 HD TRP 57 -8.278 -4.324 -0.507 465 HE1 TRP 57 1HE TRP 57 -7.149 -2.255 0.527 466 HE3 TRP 57 3HE TRP 57 -3.790 -4.546 -2.945 467 HZ2 TRP 57 2HZ TRP 57 -4.682 -0.896 0.334 468 HZ3 TRP 57 3HZ TRP 57 -2.100 -2.823 -2.464 469 HH2 TRP 57 HH TRP 57 -2.539 -1.037 -0.859 470 H PHE 58 H PHE 58 -4.943 -5.236 -4.714 471 HA PHE 58 HA PHE 58 -4.399 -2.559 -4.668 472 HB2 PHE 58 1HB PHE 58 -3.506 -4.793 -6.431 473 HB3 PHE 58 2HB PHE 58 -3.068 -3.150 -6.888 474 HD1 PHE 58 2HD PHE 58 -1.553 -1.839 -5.521 475 HD2 PHE 58 1HD PHE 58 -2.577 -5.835 -4.470 476 HE1 PHE 58 2HE PHE 58 0.336 -1.905 -3.946 477 HE2 PHE 58 1HE PHE 58 -0.691 -5.907 -2.892 478 HZ PHE 58 HZ PHE 58 0.770 -3.941 -2.629 479 H ILE 59 H ILE 59 -6.393 -4.298 -6.954 480 HA ILE 59 HA ILE 59 -6.586 -2.267 -8.913 481 HB ILE 59 HB ILE 59 -8.470 -4.528 -8.244 482 HG12 ILE 59 1HG1 ILE 59 -6.663 -4.295 -10.639 483 HG13 ILE 59 2HG1 ILE 59 -6.072 -4.946 -9.114 484 HG21 ILE 59 1HG2 ILE 59 -8.497 -2.586 -10.545 485 HG22 ILE 59 2HG2 ILE 59 -9.384 -4.110 -10.538 486 HG23 ILE 59 3HG2 ILE 59 -9.766 -2.863 -9.351 487 HD11 ILE 59 1HD1 ILE 59 -6.928 -6.923 -9.594 488 HD12 ILE 59 2HD1 ILE 59 -8.533 -6.220 -9.800 489 HD13 ILE 59 3HD1 ILE 59 -7.421 -6.296 -11.167 490 H ASN 60 H ASN 60 -9.208 -3.352 -6.756 491 HA ASN 60 HA ASN 60 -10.724 -1.004 -7.050 492 HB2 ASN 60 1HB ASN 60 -11.637 -3.190 -6.292 493 HB3 ASN 60 2HB ASN 60 -10.804 -2.974 -4.755 494 HD21 ASN 60 1HD2 ASN 60 -12.973 -1.163 -6.904 495 HD22 ASN 60 2HD2 ASN 60 -13.987 -0.554 -5.644 496 H ALA 61 H ALA 61 -7.941 -1.647 -5.205 497 HA ALA 61 HA ALA 61 -8.442 0.327 -3.159 498 HB1 ALA 61 1HB ALA 61 -6.092 -1.397 -3.867 499 HB2 ALA 61 2HB ALA 61 -5.963 -0.109 -2.668 500 HB3 ALA 61 3HB ALA 61 -7.100 -1.433 -2.420 501 H ARG 62 H ARG 62 -6.197 0.047 -5.915 502 HA ARG 62 HA ARG 62 -5.199 2.693 -5.657 503 HB2 ARG 62 1HB ARG 62 -3.834 2.178 -7.409 504 HB3 ARG 62 2HB ARG 62 -4.303 0.545 -6.958 505 HG2 ARG 62 1HG ARG 62 -6.259 1.033 -8.678 506 HG3 ARG 62 2HG ARG 62 -5.058 2.153 -9.327 507 HD2 ARG 62 1HD ARG 62 -3.445 0.145 -9.194 508 HD3 ARG 62 2HD ARG 62 -4.908 -0.828 -9.055 509 HE ARG 62 HE ARG 62 -5.223 -0.550 -11.292 510 HH11 ARG 62 2HH1 ARG 62 -3.177 2.020 -10.140 511 HH12 ARG 62 1HH1 ARG 62 -2.901 2.684 -11.716 512 HH21 ARG 62 2HH2 ARG 62 -4.867 0.314 -13.373 513 HH22 ARG 62 1HH2 ARG 62 -3.863 1.713 -13.555 514 H ARG 63 H ARG 63 -8.204 1.697 -6.472 515 HA ARG 63 HA ARG 63 -8.667 3.646 -8.587 516 HB2 ARG 63 1HB ARG 63 -10.267 1.437 -7.357 517 HB3 ARG 63 2HB ARG 63 -11.102 2.725 -8.215 518 HG2 ARG 63 1HG ARG 63 -9.731 2.243 -10.208 519 HG3 ARG 63 2HG ARG 63 -8.991 0.897 -9.339 520 HD2 ARG 63 1HD ARG 63 -10.732 0.013 -10.714 521 HD3 ARG 63 2HD ARG 63 -11.275 -0.064 -9.038 522 HE ARG 63 HE ARG 63 -12.357 1.600 -11.152 523 HH11 ARG 63 2HH1 ARG 63 -12.200 0.924 -7.740 524 HH12 ARG 63 1HH1 ARG 63 -13.684 1.741 -7.377 525 HH21 ARG 63 2HH2 ARG 63 -14.312 2.680 -10.687 526 HH22 ARG 63 1HH2 ARG 63 -14.885 2.739 -9.054 527 H ARG 64 H ARG 64 -9.143 3.242 -5.172 528 HA ARG 64 HA ARG 64 -10.446 5.883 -5.081 529 HB2 ARG 64 1HB ARG 64 -11.762 3.662 -4.411 530 HB3 ARG 64 2HB ARG 64 -10.934 3.936 -2.883 531 HG2 ARG 64 1HG ARG 64 -12.345 6.235 -4.110 532 HG3 ARG 64 2HG ARG 64 -13.323 4.949 -3.402 533 HD2 ARG 64 1HD ARG 64 -11.793 5.193 -1.353 534 HD3 ARG 64 2HD ARG 64 -11.300 6.724 -2.076 535 HE ARG 64 HE ARG 64 -13.852 6.108 -0.859 536 HH11 ARG 64 2HH1 ARG 64 -12.042 8.262 -2.910 537 HH12 ARG 64 1HH1 ARG 64 -13.124 9.596 -2.685 538 HH21 ARG 64 2HH2 ARG 64 -15.285 7.857 -0.556 539 HH22 ARG 64 1HH2 ARG 64 -14.969 9.364 -1.346 540 H ILE 65 H ILE 65 -7.764 4.090 -4.291 541 HA ILE 65 HA ILE 65 -7.125 5.790 -1.973 542 HB ILE 65 HB ILE 65 -5.754 3.224 -2.773 543 HG12 ILE 65 1HG1 ILE 65 -7.815 3.669 -0.603 544 HG13 ILE 65 2HG1 ILE 65 -8.126 2.859 -2.135 545 HG21 ILE 65 1HG2 ILE 65 -4.430 4.845 -1.444 546 HG22 ILE 65 2HG2 ILE 65 -5.658 4.760 -0.182 547 HG23 ILE 65 3HG2 ILE 65 -4.723 3.324 -0.602 548 HD11 ILE 65 1HD1 ILE 65 -5.904 1.579 -0.990 549 HD12 ILE 65 2HD1 ILE 65 -7.096 1.786 0.295 550 HD13 ILE 65 3HD1 ILE 65 -7.540 0.952 -1.194 551 H LEU 66 H LEU 66 -5.891 4.543 -5.039 552 HA LEU 66 HA LEU 66 -3.350 5.603 -5.060 553 HB2 LEU 66 1HB LEU 66 -4.481 4.153 -6.804 554 HB3 LEU 66 2HB LEU 66 -5.173 5.638 -7.452 555 HG LEU 66 HG LEU 66 -3.118 6.404 -8.228 556 HD11 LEU 66 1HD1 LEU 66 -1.695 6.253 -6.389 557 HD12 LEU 66 2HD1 LEU 66 -0.972 5.162 -7.571 558 HD13 LEU 66 3HD1 LEU 66 -1.922 4.510 -6.236 559 HD21 LEU 66 1HD2 LEU 66 -3.215 4.892 -9.854 560 HD22 LEU 66 2HD2 LEU 66 -3.808 3.651 -8.750 561 HD23 LEU 66 3HD2 LEU 66 -2.073 3.919 -8.927 562 HA PRO 67 HA PRO 67 -5.252 9.736 -6.766 563 HB2 PRO 67 1HB PRO 67 -7.873 10.151 -6.193 564 HB3 PRO 67 2HB PRO 67 -7.328 9.364 -7.679 565 HG2 PRO 67 1HG PRO 67 -8.362 8.134 -5.153 566 HG3 PRO 67 2HG PRO 67 -8.730 7.712 -6.835 567 HD2 PRO 67 1HD PRO 67 -6.972 6.305 -5.330 568 HD3 PRO 67 2HD PRO 67 -6.788 6.495 -7.086 569 H ASP 68 H ASP 68 -6.018 8.276 -3.730 570 HA ASP 68 HA ASP 68 -6.386 10.763 -2.315 571 HB2 ASP 68 1HB ASP 68 -6.224 7.875 -1.494 572 HB3 ASP 68 2HB ASP 68 -6.181 9.159 -0.288 573 H MET 69 H MET 69 -3.881 8.235 -2.411 574 HA MET 69 HA MET 69 -2.085 9.466 -0.651 575 HB2 MET 69 1HB MET 69 -0.354 8.053 -1.836 576 HB3 MET 69 2HB MET 69 -1.732 7.180 -1.181 577 HG2 MET 69 1HG MET 69 -2.741 7.088 -3.395 578 HG3 MET 69 2HG MET 69 -1.380 7.990 -4.058 579 HE1 MET 69 1HE MET 69 -2.600 4.363 -2.857 580 HE2 MET 69 2HE MET 69 -1.054 3.770 -2.250 581 HE3 MET 69 3HE MET 69 -1.821 5.168 -1.494 582 H LEU 70 H LEU 70 -2.316 9.634 -4.192 583 HA LEU 70 HA LEU 70 -0.085 11.212 -4.687 584 HB2 LEU 70 1HB LEU 70 -2.633 10.656 -6.076 585 HB3 LEU 70 2HB LEU 70 -1.760 12.098 -6.591 586 HG LEU 70 HG LEU 70 -1.264 10.149 -7.998 587 HD11 LEU 70 1HD1 LEU 70 1.332 10.403 -6.733 588 HD12 LEU 70 2HD1 LEU 70 0.521 11.958 -6.915 589 HD13 LEU 70 3HD1 LEU 70 0.791 10.935 -8.325 590 HD21 LEU 70 1HD2 LEU 70 -1.517 8.333 -6.490 591 HD22 LEU 70 2HD2 LEU 70 -0.284 8.975 -5.404 592 HD23 LEU 70 3HD2 LEU 70 0.175 8.351 -6.990 593 H GLN 71 H GLN 71 -3.144 12.056 -3.308 594 HA GLN 71 HA GLN 71 -3.542 14.674 -3.787 595 HB2 GLN 71 1HB GLN 71 -3.595 13.315 -1.090 596 HB3 GLN 71 2HB GLN 71 -4.269 14.909 -1.400 597 HG2 GLN 71 1HG GLN 71 -5.151 12.596 -3.058 598 HG3 GLN 71 2HG GLN 71 -5.791 12.798 -1.428 599 HE21 GLN 71 1HE2 GLN 71 -7.054 13.002 -4.104 600 HE22 GLN 71 2HE2 GLN 71 -7.809 14.556 -4.130 601 H GLN 72 H GLN 72 -2.942 16.652 -2.639 602 HA GLN 72 HA GLN 72 -1.463 18.138 -1.730 603 HB2 GLN 72 1HB GLN 72 0.342 15.849 -0.981 604 HB3 GLN 72 2HB GLN 72 0.218 17.433 -0.226 605 HG2 GLN 72 1HG GLN 72 -2.180 15.684 -0.209 606 HG3 GLN 72 2HG GLN 72 -0.840 15.278 0.862 607 HE21 GLN 72 1HE2 GLN 72 -3.630 16.350 1.277 608 HE22 GLN 72 2HE2 GLN 72 -3.409 17.721 2.304 609 H ARG 73 H ARG 73 -1.388 17.965 -4.340 610 HA ARG 73 HA ARG 73 0.626 17.093 -5.855 611 HB2 ARG 73 1HB ARG 73 -0.453 19.916 -5.819 612 HB3 ARG 73 2HB ARG 73 0.554 19.268 -7.107 613 HG2 ARG 73 1HG ARG 73 -1.190 17.478 -7.415 614 HG3 ARG 73 2HG ARG 73 -2.214 18.409 -6.321 615 HD2 ARG 73 1HD ARG 73 -2.156 20.305 -7.807 616 HD3 ARG 73 2HD ARG 73 -0.999 19.491 -8.858 617 HE ARG 73 HE ARG 73 -2.718 18.239 -9.752 618 HH11 ARG 73 2HH1 ARG 73 -3.845 20.023 -6.983 619 HH12 ARG 73 1HH1 ARG 73 -5.519 19.695 -7.289 620 HH21 ARG 73 2HH2 ARG 73 -4.918 17.801 -10.166 621 HH22 ARG 73 1HH2 ARG 73 -6.128 18.431 -9.100 622 H ARG 74 H ARG 74 2.736 17.720 -6.437 623 HA ARG 74 HA ARG 74 4.604 18.053 -4.547 624 HB2 ARG 74 1HB ARG 74 4.794 17.879 -7.168 625 HB3 ARG 74 2HB ARG 74 5.007 19.622 -7.061 626 HG2 ARG 74 1HG ARG 74 6.856 19.157 -5.396 627 HG3 ARG 74 2HG ARG 74 6.734 17.466 -5.887 628 HD2 ARG 74 1HD ARG 74 7.036 19.597 -7.959 629 HD3 ARG 74 2HD ARG 74 8.447 19.056 -7.052 630 HE ARG 74 HE ARG 74 7.307 16.748 -7.930 631 HH11 ARG 74 2HH1 ARG 74 8.377 19.678 -9.476 632 HH12 ARG 74 1HH1 ARG 74 8.786 18.896 -10.967 633 HH21 ARG 74 2HH2 ARG 74 7.841 15.707 -9.888 634 HH22 ARG 74 1HH2 ARG 74 8.480 16.637 -11.200 635 H ASN 75 H ASN 75 5.473 19.617 -3.289 636 HA ASN 75 HA ASN 75 4.289 22.307 -3.504 637 HB2 ASN 75 1HB ASN 75 3.512 21.557 -1.453 638 HB3 ASN 75 2HB ASN 75 4.957 20.601 -1.138 639 HD21 ASN 75 1HD2 ASN 75 6.076 21.357 0.492 640 HD22 ASN 75 2HD2 ASN 75 6.290 23.021 0.905 641 H ASP 76 H ASP 76 7.181 20.661 -2.216 642 HA ASP 76 HA ASP 76 8.752 23.067 -2.775 643 HB2 ASP 76 1HB ASP 76 9.323 22.424 -0.641 644 HB3 ASP 76 2HB ASP 76 9.083 20.711 -0.978 645 HA PRO 77 HA PRO 77 10.483 21.325 -6.433 646 HB2 PRO 77 1HB PRO 77 12.701 22.880 -6.606 647 HB3 PRO 77 2HB PRO 77 11.080 23.474 -6.985 648 HG2 PRO 77 1HG PRO 77 12.683 23.811 -4.479 649 HG3 PRO 77 2HG PRO 77 11.699 25.004 -5.347 650 HD2 PRO 77 1HD PRO 77 10.818 23.726 -3.129 651 HD3 PRO 77 2HD PRO 77 9.729 24.227 -4.439 652 H SER 78 H SER 78 11.503 19.439 -6.592 653 HA SER 78 HA SER 78 13.746 18.882 -4.771 654 HB2 SER 78 1HB SER 78 13.253 16.543 -5.021 655 HB3 SER 78 2HB SER 78 11.732 17.371 -4.686 656 HG SER 78 HG SER 78 11.299 16.072 -6.388 657 H GLY 79 H GLY 79 15.627 17.846 -5.573 658 HA2 GLY 79 1HA GLY 79 16.906 18.857 -7.693 659 HA3 GLY 79 2HA GLY 79 17.167 17.194 -7.190 660 HA PRO 80 HA PRO 80 14.927 17.674 -11.436 661 HB2 PRO 80 1HB PRO 80 17.026 17.947 -13.137 662 HB3 PRO 80 2HB PRO 80 16.169 19.327 -12.440 663 HG2 PRO 80 1HG PRO 80 18.755 18.079 -11.594 664 HG3 PRO 80 2HG PRO 80 18.335 19.796 -11.735 665 HD2 PRO 80 1HD PRO 80 18.365 18.493 -9.361 666 HD3 PRO 80 2HD PRO 80 17.242 19.824 -9.706 667 H SER 81 H SER 81 18.217 16.330 -11.078 668 HA SER 81 HA SER 81 17.296 13.639 -11.281 669 HB2 SER 81 1HB SER 81 18.349 13.052 -13.406 670 HB3 SER 81 2HB SER 81 17.134 14.305 -13.661 671 HG SER 81 HG SER 81 19.762 14.367 -14.205 672 H SER 82 H SER 82 19.256 12.115 -11.556 673 HA SER 82 HA SER 82 21.385 13.164 -9.837 674 HB2 SER 82 1HB SER 82 20.326 10.409 -10.394 675 HB3 SER 82 2HB SER 82 21.945 10.616 -9.726 676 HG SER 82 HG SER 82 20.616 12.116 -8.209 677 H GLY 83 H GLY 83 23.560 12.971 -10.351 678 HA2 GLY 83 1HA GLY 83 25.420 12.784 -11.690 679 HA3 GLY 83 2HA GLY 83 24.519 11.638 -12.670 Start of MODEL 17 1 H1 GLY 1 H GLY 1 9.599 -10.752 12.484 2 HA2 GLY 1 1HA GLY 1 8.721 -12.235 14.288 3 HA3 GLY 1 2HA GLY 1 7.220 -11.333 14.139 4 H SER 2 H SER 2 8.946 -14.038 13.119 5 HA SER 2 HA SER 2 8.166 -14.525 10.536 6 HB2 SER 2 1HB SER 2 8.525 -16.376 12.883 7 HB3 SER 2 2HB SER 2 8.075 -16.995 11.295 8 HG SER 2 HG SER 2 9.984 -15.757 10.540 9 H SER 3 H SER 3 6.220 -14.285 9.666 10 HA SER 3 HA SER 3 3.950 -15.661 10.879 11 HB2 SER 3 1HB SER 3 4.122 -12.704 10.398 12 HB3 SER 3 2HB SER 3 2.567 -13.525 10.266 13 HG SER 3 HG SER 3 2.602 -13.083 12.356 14 H GLY 4 H GLY 4 2.227 -16.092 9.409 15 HA2 GLY 4 1HA GLY 4 1.784 -15.338 6.870 16 HA3 GLY 4 2HA GLY 4 3.169 -16.402 6.683 17 H SER 5 H SER 5 0.092 -16.435 6.098 18 HA SER 5 HA SER 5 -0.175 -19.254 6.226 19 HB2 SER 5 1HB SER 5 -0.654 -18.368 8.648 20 HB3 SER 5 2HB SER 5 -2.208 -17.895 7.963 21 HG SER 5 HG SER 5 -1.983 -20.279 7.132 22 H SER 6 H SER 6 -1.963 -20.013 5.064 23 HA SER 6 HA SER 6 -3.281 -17.948 3.450 24 HB2 SER 6 1HB SER 6 -2.072 -19.577 2.138 25 HB3 SER 6 2HB SER 6 -2.878 -20.908 2.968 26 HG SER 6 HG SER 6 -4.842 -20.190 2.047 27 H GLY 7 H GLY 7 -5.075 -17.331 4.549 28 HA2 GLY 7 1HA GLY 7 -6.804 -19.355 5.747 29 HA3 GLY 7 2HA GLY 7 -6.977 -17.613 5.903 30 H LYS 8 H LYS 8 -9.237 -17.932 5.468 31 HA LYS 8 HA LYS 8 -9.773 -18.149 2.583 32 HB2 LYS 8 1HB LYS 8 -10.493 -20.137 4.181 33 HB3 LYS 8 2HB LYS 8 -11.844 -19.066 4.527 34 HG2 LYS 8 1HG LYS 8 -12.550 -20.509 2.801 35 HG3 LYS 8 2HG LYS 8 -12.241 -18.943 2.047 36 HD2 LYS 8 1HD LYS 8 -9.894 -19.882 1.557 37 HD3 LYS 8 2HD LYS 8 -10.608 -21.457 1.910 38 HE2 LYS 8 1HE LYS 8 -12.440 -20.676 0.219 39 HE3 LYS 8 2HE LYS 8 -11.186 -19.565 -0.328 40 HZ1 LYS 8 1HZ LYS 8 -10.209 -21.201 -1.428 41 HZ2 LYS 8 2HZ LYS 8 -11.496 -22.223 -1.027 42 HZ3 LYS 8 3HZ LYS 8 -10.122 -22.167 -0.042 43 H LYS 9 H LYS 9 -11.034 -16.586 1.745 44 HA LYS 9 HA LYS 9 -11.413 -14.151 2.799 45 HB2 LYS 9 1HB LYS 9 -12.060 -15.045 0.468 46 HB3 LYS 9 2HB LYS 9 -13.634 -15.376 1.179 47 HG2 LYS 9 1HG LYS 9 -14.132 -13.141 1.450 48 HG3 LYS 9 2HG LYS 9 -12.436 -12.653 1.425 49 HD2 LYS 9 1HD LYS 9 -12.479 -13.523 -1.016 50 HD3 LYS 9 2HD LYS 9 -14.232 -13.382 -0.860 51 HE2 LYS 9 1HE LYS 9 -12.305 -11.137 -0.286 52 HE3 LYS 9 2HE LYS 9 -13.094 -11.378 -1.844 53 HZ1 LYS 9 1HZ LYS 9 -14.888 -11.364 0.419 54 HZ2 LYS 9 2HZ LYS 9 -15.024 -10.585 -1.076 55 HZ3 LYS 9 3HZ LYS 9 -14.093 -9.893 0.155 56 H ARG 10 H ARG 10 -12.288 -13.445 4.621 57 HA ARG 10 HA ARG 10 -14.566 -14.908 5.763 58 HB2 ARG 10 1HB ARG 10 -13.968 -13.852 7.892 59 HB3 ARG 10 2HB ARG 10 -12.608 -14.739 7.217 60 HG2 ARG 10 1HG ARG 10 -11.694 -12.607 6.360 61 HG3 ARG 10 2HG ARG 10 -13.016 -11.758 7.164 62 HD2 ARG 10 1HD ARG 10 -12.255 -12.760 9.316 63 HD3 ARG 10 2HD ARG 10 -10.861 -13.419 8.461 64 HE ARG 10 HE ARG 10 -10.995 -10.653 7.999 65 HH11 ARG 10 2HH1 ARG 10 -10.332 -12.914 10.561 66 HH12 ARG 10 1HH1 ARG 10 -9.268 -11.842 11.409 67 HH21 ARG 10 2HH2 ARG 10 -9.595 -9.232 9.106 68 HH22 ARG 10 1HH2 ARG 10 -8.850 -9.747 10.581 69 H LYS 11 H LYS 11 -13.389 -11.623 5.113 70 HA LYS 11 HA LYS 11 -16.193 -10.719 5.098 71 HB2 LYS 11 1HB LYS 11 -15.600 -8.664 6.113 72 HB3 LYS 11 2HB LYS 11 -14.815 -9.912 7.071 73 HG2 LYS 11 1HG LYS 11 -12.699 -9.457 6.012 74 HG3 LYS 11 2HG LYS 11 -13.459 -8.296 4.922 75 HD2 LYS 11 1HD LYS 11 -13.664 -6.700 6.546 76 HD3 LYS 11 2HD LYS 11 -13.795 -7.886 7.847 77 HE2 LYS 11 1HE LYS 11 -11.353 -8.409 7.427 78 HE3 LYS 11 2HE LYS 11 -11.316 -6.974 6.403 79 HZ1 LYS 11 1HZ LYS 11 -11.172 -7.152 9.224 80 HZ2 LYS 11 2HZ LYS 11 -12.496 -6.199 8.778 81 HZ3 LYS 11 3HZ LYS 11 -10.946 -5.802 8.229 82 H GLY 12 H GLY 12 -16.071 -8.296 4.055 83 HA2 GLY 12 1HA GLY 12 -15.576 -8.746 1.310 84 HA3 GLY 12 2HA GLY 12 -15.966 -7.197 2.042 85 H ASN 13 H ASN 13 -14.298 -5.813 2.696 86 HA ASN 13 HA ASN 13 -11.876 -6.108 1.169 87 HB2 ASN 13 1HB ASN 13 -12.991 -3.959 2.954 88 HB3 ASN 13 2HB ASN 13 -11.331 -3.879 2.371 89 HD21 ASN 13 1HD2 ASN 13 -11.960 -1.931 1.306 90 HD22 ASN 13 2HD2 ASN 13 -12.790 -1.998 -0.208 91 H LEU 14 H LEU 14 -9.769 -5.387 2.363 92 HA LEU 14 HA LEU 14 -9.326 -7.355 4.443 93 HB2 LEU 14 1HB LEU 14 -7.240 -5.447 3.478 94 HB3 LEU 14 2HB LEU 14 -7.060 -7.109 4.036 95 HG LEU 14 HG LEU 14 -8.522 -6.581 1.487 96 HD11 LEU 14 1HD1 LEU 14 -5.732 -5.933 1.993 97 HD12 LEU 14 2HD1 LEU 14 -6.754 -5.545 0.610 98 HD13 LEU 14 3HD1 LEU 14 -5.942 -7.108 0.695 99 HD21 LEU 14 1HD2 LEU 14 -7.829 -8.840 2.916 100 HD22 LEU 14 2HD2 LEU 14 -6.617 -8.769 1.636 101 HD23 LEU 14 3HD2 LEU 14 -8.333 -8.787 1.226 102 HA PRO 15 HA PRO 15 -9.467 -4.654 7.903 103 HB2 PRO 15 1HB PRO 15 -7.608 -5.797 9.518 104 HB3 PRO 15 2HB PRO 15 -9.191 -6.522 9.213 105 HG2 PRO 15 1HG PRO 15 -6.543 -7.162 7.971 106 HG3 PRO 15 2HG PRO 15 -7.810 -8.266 8.538 107 HD2 PRO 15 1HD PRO 15 -7.483 -7.645 5.923 108 HD3 PRO 15 2HD PRO 15 -9.073 -8.000 6.629 109 H ALA 16 H ALA 16 -8.602 -2.735 8.428 110 HA ALA 16 HA ALA 16 -6.677 -1.406 7.128 111 HB1 ALA 16 1HB ALA 16 -6.643 -0.962 10.059 112 HB2 ALA 16 2HB ALA 16 -6.793 0.196 8.736 113 HB3 ALA 16 3HB ALA 16 -8.185 -0.772 9.222 114 H GLU 17 H GLU 17 -5.943 -2.916 10.281 115 HA GLU 17 HA GLU 17 -3.299 -2.636 10.483 116 HB2 GLU 17 1HB GLU 17 -3.164 -4.817 11.593 117 HB3 GLU 17 2HB GLU 17 -4.612 -3.944 12.076 118 HG2 GLU 17 1HG GLU 17 -5.816 -5.296 10.280 119 HG3 GLU 17 2HG GLU 17 -4.380 -6.317 10.262 120 H SER 18 H SER 18 -4.792 -5.212 8.529 121 HA SER 18 HA SER 18 -2.307 -6.118 7.466 122 HB2 SER 18 1HB SER 18 -5.136 -6.591 6.495 123 HB3 SER 18 2HB SER 18 -3.710 -7.465 5.936 124 HG SER 18 HG SER 18 -3.506 -8.406 7.905 125 H VAL 19 H VAL 19 -4.781 -3.864 6.402 126 HA VAL 19 HA VAL 19 -3.979 -3.538 3.741 127 HB VAL 19 HB VAL 19 -5.179 -1.443 5.558 128 HG11 VAL 19 1HG1 VAL 19 -5.401 -1.628 2.565 129 HG12 VAL 19 2HG1 VAL 19 -5.843 -0.280 3.614 130 HG13 VAL 19 3HG1 VAL 19 -4.144 -0.689 3.370 131 HG21 VAL 19 1HG2 VAL 19 -6.267 -3.874 4.876 132 HG22 VAL 19 2HG2 VAL 19 -7.170 -2.446 5.380 133 HG23 VAL 19 3HG2 VAL 19 -6.942 -2.785 3.665 134 H LYS 20 H LYS 20 -3.103 -1.607 6.606 135 HA LYS 20 HA LYS 20 -1.486 0.292 5.599 136 HB2 LYS 20 1HB LYS 20 -1.823 0.099 7.975 137 HB3 LYS 20 2HB LYS 20 -0.965 -1.435 8.022 138 HG2 LYS 20 1HG LYS 20 1.104 -0.276 7.376 139 HG3 LYS 20 2HG LYS 20 0.231 1.258 7.398 140 HD2 LYS 20 1HD LYS 20 0.222 -0.517 9.808 141 HD3 LYS 20 2HD LYS 20 1.602 0.534 9.484 142 HE2 LYS 20 1HE LYS 20 0.295 1.884 10.817 143 HE3 LYS 20 2HE LYS 20 -0.222 2.375 9.205 144 HZ1 LYS 20 1HZ LYS 20 -1.927 1.732 11.103 145 HZ2 LYS 20 2HZ LYS 20 -1.686 0.187 10.459 146 HZ3 LYS 20 3HZ LYS 20 -2.249 1.437 9.468 147 H ILE 21 H ILE 21 -0.660 -3.119 5.923 148 HA ILE 21 HA ILE 21 2.064 -2.907 5.235 149 HB ILE 21 HB ILE 21 0.125 -5.201 4.973 150 HG12 ILE 21 1HG1 ILE 21 1.866 -5.997 6.821 151 HG13 ILE 21 2HG1 ILE 21 2.086 -4.261 7.016 152 HG21 ILE 21 1HG2 ILE 21 1.581 -6.198 3.621 153 HG22 ILE 21 2HG2 ILE 21 2.751 -4.895 3.820 154 HG23 ILE 21 3HG2 ILE 21 2.713 -6.229 4.973 155 HD11 ILE 21 1HD1 ILE 21 0.036 -5.926 8.048 156 HD12 ILE 21 2HD1 ILE 21 0.288 -4.198 8.293 157 HD13 ILE 21 3HD1 ILE 21 -0.693 -4.763 6.941 158 H LEU 22 H LEU 22 -0.832 -3.480 3.273 159 HA LEU 22 HA LEU 22 0.624 -3.716 0.820 160 HB2 LEU 22 1HB LEU 22 -2.305 -3.222 1.332 161 HB3 LEU 22 2HB LEU 22 -1.600 -3.602 -0.238 162 HG LEU 22 HG LEU 22 -1.623 -5.431 2.163 163 HD11 LEU 22 1HD1 LEU 22 -3.786 -5.605 1.506 164 HD12 LEU 22 2HD1 LEU 22 -3.073 -6.715 0.336 165 HD13 LEU 22 3HD1 LEU 22 -3.450 -5.059 -0.137 166 HD21 LEU 22 1HD2 LEU 22 0.315 -5.861 0.823 167 HD22 LEU 22 2HD2 LEU 22 -0.638 -5.809 -0.661 168 HD23 LEU 22 3HD2 LEU 22 -0.875 -7.121 0.494 169 H ARG 23 H ARG 23 -1.399 -1.176 2.270 170 HA ARG 23 HA ARG 23 -1.253 0.706 0.245 171 HB2 ARG 23 1HB ARG 23 -1.668 0.826 3.187 172 HB3 ARG 23 2HB ARG 23 -1.298 2.334 2.363 173 HG2 ARG 23 1HG ARG 23 -3.198 1.860 0.812 174 HG3 ARG 23 2HG ARG 23 -3.615 0.490 1.843 175 HD2 ARG 23 1HD ARG 23 -3.491 3.386 2.677 176 HD3 ARG 23 2HD ARG 23 -4.954 2.437 2.416 177 HE ARG 23 HE ARG 23 -3.612 1.026 4.300 178 HH11 ARG 23 2HH1 ARG 23 -4.603 4.352 4.033 179 HH12 ARG 23 1HH1 ARG 23 -4.783 4.572 5.743 180 HH21 ARG 23 2HH2 ARG 23 -3.844 1.302 6.552 181 HH22 ARG 23 1HH2 ARG 23 -4.350 2.837 7.175 182 H ASP 24 H ASP 24 0.812 0.608 3.155 183 HA ASP 24 HA ASP 24 2.567 2.595 2.670 184 HB2 ASP 24 1HB ASP 24 2.551 0.767 4.529 185 HB3 ASP 24 2HB ASP 24 3.679 -0.076 3.470 186 H TRP 25 H TRP 25 2.764 -0.651 1.242 187 HA TRP 25 HA TRP 25 5.089 -0.071 -0.301 188 HB2 TRP 25 1HB TRP 25 4.614 -2.362 0.278 189 HB3 TRP 25 2HB TRP 25 3.037 -2.281 -0.503 190 HD1 TRP 25 HD TRP 25 6.605 -3.141 -1.175 191 HE1 TRP 25 1HE TRP 25 6.919 -3.714 -3.665 192 HE3 TRP 25 3HE TRP 25 2.100 -1.509 -2.958 193 HZ2 TRP 25 2HZ TRP 25 5.452 -3.501 -6.067 194 HZ3 TRP 25 3HZ TRP 25 1.634 -1.729 -5.364 195 HH2 TRP 25 HH TRP 25 3.277 -2.704 -6.885 196 H MET 26 H MET 26 1.623 0.020 -0.916 197 HA MET 26 HA MET 26 1.702 0.360 -3.696 198 HB2 MET 26 1HB MET 26 -0.387 -0.152 -2.677 199 HB3 MET 26 2HB MET 26 -0.291 1.245 -1.614 200 HG2 MET 26 1HG MET 26 -1.799 1.973 -3.168 201 HG3 MET 26 2HG MET 26 -0.292 2.590 -3.843 202 HE1 MET 26 1HE MET 26 -3.282 0.835 -6.241 203 HE2 MET 26 2HE MET 26 -3.378 0.040 -4.670 204 HE3 MET 26 3HE MET 26 -3.299 1.800 -4.765 205 H TYR 27 H TYR 27 2.231 2.597 -1.073 206 HA TYR 27 HA TYR 27 1.965 4.987 -2.588 207 HB2 TYR 27 1HB TYR 27 1.970 4.641 -0.007 208 HB3 TYR 27 2HB TYR 27 3.719 4.767 -0.160 209 HD1 TYR 27 1HD TYR 27 4.551 6.867 -1.537 210 HD2 TYR 27 2HD TYR 27 0.758 6.572 0.367 211 HE1 TYR 27 1HE TYR 27 4.382 9.321 -1.508 212 HE2 TYR 27 2HE TYR 27 0.578 9.025 0.401 213 HH TYR 27 HH TYR 27 2.492 11.010 0.365 214 H LYS 28 H LYS 28 4.797 3.115 -1.521 215 HA LYS 28 HA LYS 28 6.749 4.729 -2.719 216 HB2 LYS 28 1HB LYS 28 6.777 1.770 -2.102 217 HB3 LYS 28 2HB LYS 28 8.195 2.692 -2.586 218 HG2 LYS 28 1HG LYS 28 7.748 4.172 -0.582 219 HG3 LYS 28 2HG LYS 28 6.588 2.947 -0.063 220 HD2 LYS 28 1HD LYS 28 8.459 1.265 -0.248 221 HD3 LYS 28 2HD LYS 28 9.557 2.630 -0.466 222 HE2 LYS 28 1HE LYS 28 7.713 2.323 1.897 223 HE3 LYS 28 2HE LYS 28 9.383 1.761 1.883 224 HZ1 LYS 28 1HZ LYS 28 9.636 4.302 1.049 225 HZ2 LYS 28 2HZ LYS 28 9.823 3.798 2.652 226 HZ3 LYS 28 3HZ LYS 28 8.346 4.441 2.135 227 H HIS 29 H HIS 29 5.093 1.831 -3.938 228 HA HIS 29 HA HIS 29 6.318 2.212 -6.560 229 HB2 HIS 29 1HB HIS 29 4.435 0.031 -5.641 230 HB3 HIS 29 2HB HIS 29 5.382 0.045 -7.126 231 HD1 HIS 29 1HD HIS 29 7.878 -0.542 -6.947 232 HD2 HIS 29 2HD HIS 29 5.873 -0.601 -3.309 233 HE1 HIS 29 1HE HIS 29 9.446 -1.665 -5.333 234 HE2 HIS 29 2HE HIS 29 8.177 -1.766 -3.160 235 H ARG 30 H ARG 30 3.817 3.557 -5.034 236 HA ARG 30 HA ARG 30 1.501 3.305 -6.392 237 HB2 ARG 30 1HB ARG 30 0.928 5.460 -5.718 238 HB3 ARG 30 2HB ARG 30 2.185 5.014 -4.573 239 HG2 ARG 30 1HG ARG 30 3.823 6.244 -5.975 240 HG3 ARG 30 2HG ARG 30 2.482 6.783 -6.988 241 HD2 ARG 30 1HD ARG 30 1.459 7.887 -5.077 242 HD3 ARG 30 2HD ARG 30 2.752 7.303 -4.030 243 HE ARG 30 HE ARG 30 3.958 8.727 -6.080 244 HH11 ARG 30 2HH1 ARG 30 1.730 9.337 -3.475 245 HH12 ARG 30 1HH1 ARG 30 2.215 10.987 -3.272 246 HH21 ARG 30 2HH2 ARG 30 4.606 10.899 -5.822 247 HH22 ARG 30 1HH2 ARG 30 3.851 11.875 -4.608 248 H PHE 31 H PHE 31 4.442 4.775 -7.601 249 HA PHE 31 HA PHE 31 3.737 6.232 -9.741 250 HB2 PHE 31 1HB PHE 31 5.857 4.076 -9.680 251 HB3 PHE 31 2HB PHE 31 5.730 5.302 -10.938 252 HD1 PHE 31 1HD PHE 31 5.044 7.679 -9.319 253 HD2 PHE 31 2HD PHE 31 7.870 4.571 -8.632 254 HE1 PHE 31 1HE PHE 31 6.399 9.216 -7.957 255 HE2 PHE 31 2HE PHE 31 9.229 6.103 -7.269 256 HZ PHE 31 HZ PHE 31 8.494 8.429 -6.929 257 H LYS 32 H LYS 32 3.655 2.697 -9.606 258 HA LYS 32 HA LYS 32 2.123 2.709 -12.124 259 HB2 LYS 32 1HB LYS 32 2.999 0.570 -12.659 260 HB3 LYS 32 2HB LYS 32 4.371 1.545 -12.149 261 HG2 LYS 32 1HG LYS 32 3.009 -0.086 -10.084 262 HG3 LYS 32 2HG LYS 32 3.988 -0.929 -11.287 263 HD2 LYS 32 1HD LYS 32 5.063 1.452 -9.815 264 HD3 LYS 32 2HD LYS 32 5.110 -0.158 -9.093 265 HE2 LYS 32 1HE LYS 32 6.343 -0.982 -11.051 266 HE3 LYS 32 2HE LYS 32 6.314 0.639 -11.743 267 HZ1 LYS 32 1HZ LYS 32 7.333 0.894 -9.183 268 HZ2 LYS 32 2HZ LYS 32 8.175 1.046 -10.641 269 HZ3 LYS 32 3HZ LYS 32 8.111 -0.450 -9.854 270 H ALA 33 H ALA 33 2.247 1.700 -8.809 271 HA ALA 33 HA ALA 33 0.711 0.760 -7.417 272 HB1 ALA 33 1HB ALA 33 -0.673 2.529 -9.005 273 HB2 ALA 33 2HB ALA 33 -1.615 1.044 -9.144 274 HB3 ALA 33 3HB ALA 33 -1.291 1.738 -7.555 275 H TYR 34 H TYR 34 2.076 -1.109 -8.732 276 HA TYR 34 HA TYR 34 0.199 -3.281 -8.890 277 HB2 TYR 34 1HB TYR 34 1.677 -2.348 -11.346 278 HB3 TYR 34 2HB TYR 34 1.092 -3.999 -11.176 279 HD1 TYR 34 1HD TYR 34 -1.475 -4.149 -10.446 280 HD2 TYR 34 2HD TYR 34 0.315 -0.841 -12.436 281 HE1 TYR 34 1HE TYR 34 -3.686 -3.454 -11.268 282 HE2 TYR 34 2HE TYR 34 -1.892 -0.137 -13.263 283 HH TYR 34 HH TYR 34 -4.053 -0.632 -13.392 284 HA PRO 35 HA PRO 35 4.052 -4.728 -7.045 285 HB2 PRO 35 1HB PRO 35 2.915 -6.875 -5.832 286 HB3 PRO 35 2HB PRO 35 2.830 -5.239 -5.167 287 HG2 PRO 35 1HG PRO 35 0.785 -6.749 -6.748 288 HG3 PRO 35 2HG PRO 35 0.563 -5.737 -5.309 289 HD2 PRO 35 1HD PRO 35 0.027 -4.851 -7.811 290 HD3 PRO 35 2HD PRO 35 0.616 -3.779 -6.524 291 H SER 36 H SER 36 5.215 -6.811 -7.138 292 HA SER 36 HA SER 36 4.643 -8.191 -9.669 293 HB2 SER 36 1HB SER 36 6.890 -6.966 -9.189 294 HB3 SER 36 2HB SER 36 7.260 -8.380 -8.203 295 HG SER 36 HG SER 36 8.015 -8.749 -10.269 296 H GLU 37 H GLU 37 4.852 -10.469 -9.802 297 HA GLU 37 HA GLU 37 3.527 -12.025 -8.090 298 HB2 GLU 37 1HB GLU 37 6.037 -12.823 -9.572 299 HB3 GLU 37 2HB GLU 37 4.916 -13.962 -8.839 300 HG2 GLU 37 1HG GLU 37 3.990 -11.964 -10.865 301 HG3 GLU 37 2HG GLU 37 4.721 -13.493 -11.349 302 H GLU 38 H GLU 38 6.807 -10.907 -7.622 303 HA GLU 38 HA GLU 38 7.317 -12.597 -5.354 304 HB2 GLU 38 1HB GLU 38 8.763 -10.392 -6.748 305 HB3 GLU 38 2HB GLU 38 9.231 -10.778 -5.098 306 HG2 GLU 38 1HG GLU 38 9.318 -13.225 -6.013 307 HG3 GLU 38 2HG GLU 38 9.476 -12.415 -7.571 308 H GLU 39 H GLU 39 6.604 -9.146 -5.821 309 HA GLU 39 HA GLU 39 6.698 -8.326 -3.175 310 HB2 GLU 39 1HB GLU 39 4.803 -7.342 -5.316 311 HB3 GLU 39 2HB GLU 39 5.233 -6.482 -3.844 312 HG2 GLU 39 1HG GLU 39 6.954 -7.073 -6.225 313 HG3 GLU 39 2HG GLU 39 6.508 -5.506 -5.552 314 H LYS 40 H LYS 40 3.856 -9.451 -5.005 315 HA LYS 40 HA LYS 40 1.982 -9.305 -2.963 316 HB2 LYS 40 1HB LYS 40 1.823 -11.612 -4.836 317 HB3 LYS 40 2HB LYS 40 0.576 -10.470 -4.353 318 HG2 LYS 40 1HG LYS 40 1.908 -8.752 -5.721 319 HG3 LYS 40 2HG LYS 40 2.711 -10.157 -6.427 320 HD2 LYS 40 1HD LYS 40 0.429 -11.051 -6.986 321 HD3 LYS 40 2HD LYS 40 -0.228 -9.490 -6.488 322 HE2 LYS 40 1HE LYS 40 0.997 -8.357 -8.204 323 HE3 LYS 40 2HE LYS 40 1.887 -9.824 -8.609 324 HZ1 LYS 40 1HZ LYS 40 -0.727 -10.541 -8.874 325 HZ2 LYS 40 2HZ LYS 40 0.326 -10.149 -10.138 326 HZ3 LYS 40 3HZ LYS 40 -0.695 -8.966 -9.490 327 H GLN 41 H GLN 41 3.531 -12.330 -4.054 328 HA GLN 41 HA GLN 41 2.761 -13.999 -2.051 329 HB2 GLN 41 1HB GLN 41 4.344 -14.356 -4.125 330 HB3 GLN 41 2HB GLN 41 5.616 -14.129 -2.932 331 HG2 GLN 41 1HG GLN 41 4.946 -16.506 -3.400 332 HG3 GLN 41 2HG GLN 41 4.945 -16.020 -1.705 333 HE21 GLN 41 1HE2 GLN 41 3.084 -16.088 -0.564 334 HE22 GLN 41 2HE2 GLN 41 1.575 -16.639 -1.199 335 H MET 42 H MET 42 5.079 -11.419 -1.849 336 HA MET 42 HA MET 42 6.200 -12.270 0.660 337 HB2 MET 42 1HB MET 42 7.709 -10.991 -0.546 338 HB3 MET 42 2HB MET 42 6.477 -9.860 -1.090 339 HG2 MET 42 1HG MET 42 6.333 -9.001 1.240 340 HG3 MET 42 2HG MET 42 7.699 -10.035 1.651 341 HE1 MET 42 1HE MET 42 6.372 -7.572 -0.856 342 HE2 MET 42 2HE MET 42 6.883 -6.330 0.287 343 HE3 MET 42 3HE MET 42 7.719 -6.506 -1.256 344 H LEU 43 H LEU 43 3.981 -9.684 -0.367 345 HA LEU 43 HA LEU 43 3.484 -8.655 2.201 346 HB2 LEU 43 1HB LEU 43 1.627 -8.646 -0.172 347 HB3 LEU 43 2HB LEU 43 1.563 -7.563 1.217 348 HG LEU 43 HG LEU 43 3.996 -7.614 -0.523 349 HD11 LEU 43 1HD1 LEU 43 2.225 -7.367 -2.118 350 HD12 LEU 43 2HD1 LEU 43 2.967 -5.789 -1.857 351 HD13 LEU 43 3HD1 LEU 43 1.417 -6.170 -1.107 352 HD21 LEU 43 1HD2 LEU 43 2.719 -5.785 1.449 353 HD22 LEU 43 2HD2 LEU 43 3.700 -5.089 0.159 354 HD23 LEU 43 3HD2 LEU 43 4.409 -6.258 1.275 355 H SER 44 H SER 44 1.869 -11.173 0.320 356 HA SER 44 HA SER 44 -0.375 -11.610 1.863 357 HB2 SER 44 1HB SER 44 -0.381 -12.904 -0.045 358 HB3 SER 44 2HB SER 44 1.316 -13.354 0.126 359 HG SER 44 HG SER 44 -0.722 -14.271 1.869 360 H GLU 45 H GLU 45 2.923 -12.225 2.635 361 HA GLU 45 HA GLU 45 2.402 -14.150 4.706 362 HB2 GLU 45 1HB GLU 45 4.874 -12.523 4.087 363 HB3 GLU 45 2HB GLU 45 4.795 -13.815 5.276 364 HG2 GLU 45 1HG GLU 45 4.096 -15.339 3.393 365 HG3 GLU 45 2HG GLU 45 4.524 -14.030 2.294 366 H LYS 46 H LYS 46 3.053 -10.682 4.546 367 HA LYS 46 HA LYS 46 3.056 -10.340 7.395 368 HB2 LYS 46 1HB LYS 46 2.780 -8.268 5.210 369 HB3 LYS 46 2HB LYS 46 3.145 -7.946 6.900 370 HG2 LYS 46 1HG LYS 46 5.307 -8.629 6.710 371 HG3 LYS 46 2HG LYS 46 4.946 -9.784 5.425 372 HD2 LYS 46 1HD LYS 46 6.028 -8.195 4.197 373 HD3 LYS 46 2HD LYS 46 4.385 -7.558 4.096 374 HE2 LYS 46 1HE LYS 46 5.005 -6.245 6.227 375 HE3 LYS 46 2HE LYS 46 6.672 -6.626 5.797 376 HZ1 LYS 46 1HZ LYS 46 4.715 -4.994 4.304 377 HZ2 LYS 46 2HZ LYS 46 6.065 -5.660 3.533 378 HZ3 LYS 46 3HZ LYS 46 6.273 -4.574 4.813 379 H THR 47 H THR 47 0.735 -9.817 4.782 380 HA THR 47 HA THR 47 -1.285 -8.830 6.610 381 HB THR 47 HB THR 47 -2.728 -8.648 4.653 382 HG1 THR 47 1HG THR 47 -0.608 -10.046 3.371 383 HG21 THR 47 1HG2 THR 47 -1.013 -6.892 5.114 384 HG22 THR 47 2HG2 THR 47 -1.486 -7.000 3.419 385 HG23 THR 47 3HG2 THR 47 0.047 -7.689 3.953 386 H ASN 48 H ASN 48 -0.382 -11.826 5.104 387 HA ASN 48 HA ASN 48 -1.082 -13.962 5.514 388 HB2 ASN 48 1HB ASN 48 -1.605 -12.922 7.847 389 HB3 ASN 48 2HB ASN 48 -3.279 -12.970 7.304 390 HD21 ASN 48 1HD2 ASN 48 -4.367 -14.747 7.723 391 HD22 ASN 48 2HD2 ASN 48 -3.687 -16.297 8.072 392 H LEU 49 H LEU 49 -2.095 -12.332 3.383 393 HA LEU 49 HA LEU 49 -4.835 -13.353 3.075 394 HB2 LEU 49 1HB LEU 49 -3.486 -11.294 1.349 395 HB3 LEU 49 2HB LEU 49 -5.206 -11.663 1.455 396 HG LEU 49 HG LEU 49 -3.682 -10.517 3.778 397 HD11 LEU 49 1HD1 LEU 49 -3.325 -8.756 2.396 398 HD12 LEU 49 2HD1 LEU 49 -4.983 -8.380 2.866 399 HD13 LEU 49 3HD1 LEU 49 -4.662 -9.178 1.326 400 HD21 LEU 49 1HD2 LEU 49 -6.604 -10.450 3.033 401 HD22 LEU 49 2HD2 LEU 49 -5.880 -9.821 4.513 402 HD23 LEU 49 3HD2 LEU 49 -5.877 -11.557 4.198 403 H SER 50 H SER 50 -5.214 -13.477 0.455 404 HA SER 50 HA SER 50 -3.277 -15.508 -0.426 405 HB2 SER 50 1HB SER 50 -6.167 -15.105 -1.238 406 HB3 SER 50 2HB SER 50 -5.104 -16.371 -1.854 407 HG SER 50 HG SER 50 -6.024 -16.017 0.803 408 H LEU 51 H LEU 51 -2.345 -15.409 -2.430 409 HA LEU 51 HA LEU 51 -1.703 -13.026 -3.579 410 HB2 LEU 51 1HB LEU 51 -1.947 -15.753 -4.816 411 HB3 LEU 51 2HB LEU 51 -1.316 -14.370 -5.706 412 HG LEU 51 HG LEU 51 0.268 -16.097 -4.474 413 HD11 LEU 51 1HD1 LEU 51 1.837 -14.056 -4.103 414 HD12 LEU 51 2HD1 LEU 51 0.527 -13.147 -4.855 415 HD13 LEU 51 3HD1 LEU 51 1.301 -14.466 -5.732 416 HD21 LEU 51 1HD2 LEU 51 -0.530 -14.136 -2.338 417 HD22 LEU 51 2HD2 LEU 51 0.995 -15.023 -2.302 418 HD23 LEU 51 3HD2 LEU 51 -0.537 -15.898 -2.262 419 H LEU 52 H LEU 52 -4.645 -14.817 -3.974 420 HA LEU 52 HA LEU 52 -5.530 -13.478 -6.340 421 HB2 LEU 52 1HB LEU 52 -6.490 -15.576 -5.981 422 HB3 LEU 52 2HB LEU 52 -6.844 -15.224 -4.291 423 HG LEU 52 HG LEU 52 -8.596 -13.631 -5.047 424 HD11 LEU 52 1HD1 LEU 52 -9.355 -14.054 -7.467 425 HD12 LEU 52 2HD1 LEU 52 -7.709 -14.630 -7.727 426 HD13 LEU 52 3HD1 LEU 52 -7.989 -12.973 -7.192 427 HD21 LEU 52 1HD2 LEU 52 -9.097 -15.968 -4.414 428 HD22 LEU 52 2HD2 LEU 52 -8.938 -16.433 -6.108 429 HD23 LEU 52 3HD2 LEU 52 -10.217 -15.323 -5.614 430 H GLN 53 H GLN 53 -6.126 -13.082 -2.874 431 HA GLN 53 HA GLN 53 -7.992 -10.947 -3.200 432 HB2 GLN 53 1HB GLN 53 -6.428 -11.954 -0.826 433 HB3 GLN 53 2HB GLN 53 -7.547 -10.602 -0.723 434 HG2 GLN 53 1HG GLN 53 -9.256 -12.250 -1.746 435 HG3 GLN 53 2HG GLN 53 -8.117 -13.490 -1.224 436 HE21 GLN 53 1HE2 GLN 53 -7.485 -13.430 1.070 437 HE22 GLN 53 2HE2 GLN 53 -8.676 -12.971 2.234 438 H ILE 54 H ILE 54 -4.523 -11.170 -2.784 439 HA ILE 54 HA ILE 54 -3.937 -8.545 -2.062 440 HB ILE 54 HB ILE 54 -2.327 -10.428 -3.789 441 HG12 ILE 54 1HG1 ILE 54 -2.812 -11.280 -1.534 442 HG13 ILE 54 2HG1 ILE 54 -1.104 -10.898 -1.716 443 HG21 ILE 54 1HG2 ILE 54 -1.804 -7.689 -2.815 444 HG22 ILE 54 2HG2 ILE 54 -0.483 -8.846 -2.660 445 HG23 ILE 54 3HG2 ILE 54 -1.192 -8.524 -4.242 446 HD11 ILE 54 1HD1 ILE 54 -1.609 -10.060 0.372 447 HD12 ILE 54 2HD1 ILE 54 -1.744 -8.634 -0.658 448 HD13 ILE 54 3HD1 ILE 54 -3.197 -9.481 -0.131 449 H SER 55 H SER 55 -3.483 -9.842 -5.352 450 HA SER 55 HA SER 55 -3.245 -7.415 -6.651 451 HB2 SER 55 1HB SER 55 -4.006 -10.167 -7.494 452 HB3 SER 55 2HB SER 55 -4.331 -8.855 -8.627 453 HG SER 55 HG SER 55 -2.108 -8.273 -8.426 454 H ASN 56 H ASN 56 -6.185 -9.318 -6.072 455 HA ASN 56 HA ASN 56 -8.021 -7.795 -7.458 456 HB2 ASN 56 1HB ASN 56 -8.333 -9.289 -4.849 457 HB3 ASN 56 2HB ASN 56 -9.687 -8.602 -5.742 458 HD21 ASN 56 1HD2 ASN 56 -10.069 -11.078 -5.431 459 HD22 ASN 56 2HD2 ASN 56 -9.631 -12.045 -6.794 460 H TRP 57 H TRP 57 -6.939 -7.369 -4.098 461 HA TRP 57 HA TRP 57 -8.541 -5.182 -3.451 462 HB2 TRP 57 1HB TRP 57 -7.407 -6.245 -1.671 463 HB3 TRP 57 2HB TRP 57 -5.842 -6.080 -2.461 464 HD1 TRP 57 HD TRP 57 -8.414 -4.047 -0.468 465 HE1 TRP 57 1HE TRP 57 -7.257 -1.937 0.445 466 HE3 TRP 57 3HE TRP 57 -3.916 -4.490 -2.857 467 HZ2 TRP 57 2HZ TRP 57 -4.767 -0.633 0.187 468 HZ3 TRP 57 3HZ TRP 57 -2.201 -2.769 -2.470 469 HH2 TRP 57 HH TRP 57 -2.620 -0.881 -0.980 470 H PHE 58 H PHE 58 -5.251 -5.249 -4.798 471 HA PHE 58 HA PHE 58 -4.737 -2.537 -4.876 472 HB2 PHE 58 1HB PHE 58 -3.844 -4.863 -6.520 473 HB3 PHE 58 2HB PHE 58 -3.450 -3.242 -7.085 474 HD1 PHE 58 2HD PHE 58 -1.996 -1.783 -5.755 475 HD2 PHE 58 1HD PHE 58 -2.776 -5.808 -4.610 476 HE1 PHE 58 2HE PHE 58 -0.067 -1.719 -4.230 477 HE2 PHE 58 1HE PHE 58 -0.848 -5.750 -3.082 478 HZ PHE 58 HZ PHE 58 0.510 -3.704 -2.891 479 H ILE 59 H ILE 59 -6.771 -4.464 -6.962 480 HA ILE 59 HA ILE 59 -7.054 -2.770 -9.143 481 HB ILE 59 HB ILE 59 -9.197 -4.499 -7.903 482 HG12 ILE 59 1HG1 ILE 59 -7.214 -5.129 -10.100 483 HG13 ILE 59 2HG1 ILE 59 -7.112 -5.721 -8.446 484 HG21 ILE 59 1HG2 ILE 59 -10.248 -3.028 -9.422 485 HG22 ILE 59 2HG2 ILE 59 -8.948 -3.197 -10.601 486 HG23 ILE 59 3HG2 ILE 59 -10.037 -4.549 -10.289 487 HD11 ILE 59 1HD1 ILE 59 -8.977 -6.497 -10.627 488 HD12 ILE 59 2HD1 ILE 59 -8.066 -7.507 -9.504 489 HD13 ILE 59 3HD1 ILE 59 -9.502 -6.646 -8.950 490 H ASN 60 H ASN 60 -9.560 -3.079 -6.632 491 HA ASN 60 HA ASN 60 -10.687 -0.543 -7.241 492 HB2 ASN 60 1HB ASN 60 -11.149 -2.649 -5.179 493 HB3 ASN 60 2HB ASN 60 -11.800 -1.041 -4.876 494 HD21 ASN 60 1HD2 ASN 60 -11.718 -3.639 -7.260 495 HD22 ASN 60 2HD2 ASN 60 -13.290 -3.335 -7.908 496 H ALA 61 H ALA 61 -8.089 -1.544 -5.254 497 HA ALA 61 HA ALA 61 -8.181 0.703 -3.452 498 HB1 ALA 61 1HB ALA 61 -5.908 -0.144 -2.770 499 HB2 ALA 61 2HB ALA 61 -7.239 -1.286 -2.575 500 HB3 ALA 61 3HB ALA 61 -6.132 -1.445 -3.939 501 H ARG 62 H ARG 62 -6.735 -0.041 -6.521 502 HA ARG 62 HA ARG 62 -4.817 2.102 -6.435 503 HB2 ARG 62 1HB ARG 62 -4.361 0.096 -7.751 504 HB3 ARG 62 2HB ARG 62 -5.785 0.399 -8.736 505 HG2 ARG 62 1HG ARG 62 -4.737 2.543 -9.462 506 HG3 ARG 62 2HG ARG 62 -3.274 2.048 -8.609 507 HD2 ARG 62 1HD ARG 62 -2.802 1.301 -10.725 508 HD3 ARG 62 2HD ARG 62 -3.559 -0.134 -10.035 509 HE ARG 62 HE ARG 62 -5.259 0.100 -11.540 510 HH11 ARG 62 2HH1 ARG 62 -3.554 3.125 -11.297 511 HH12 ARG 62 1HH1 ARG 62 -4.432 3.874 -12.589 512 HH21 ARG 62 2HH2 ARG 62 -6.422 1.074 -13.243 513 HH22 ARG 62 1HH2 ARG 62 -6.064 2.707 -13.695 514 H ARG 63 H ARG 63 -8.136 1.867 -7.054 515 HA ARG 63 HA ARG 63 -8.142 4.344 -8.636 516 HB2 ARG 63 1HB ARG 63 -10.361 3.788 -9.331 517 HB3 ARG 63 2HB ARG 63 -9.373 2.345 -9.519 518 HG2 ARG 63 1HG ARG 63 -10.254 1.559 -7.314 519 HG3 ARG 63 2HG ARG 63 -11.370 2.925 -7.348 520 HD2 ARG 63 1HD ARG 63 -12.382 0.825 -8.171 521 HD3 ARG 63 2HD ARG 63 -12.379 2.111 -9.378 522 HE ARG 63 HE ARG 63 -10.142 0.280 -9.511 523 HH11 ARG 63 2HH1 ARG 63 -13.344 1.061 -10.632 524 HH12 ARG 63 1HH1 ARG 63 -13.204 0.130 -12.086 525 HH21 ARG 63 2HH2 ARG 63 -9.945 -0.950 -11.422 526 HH22 ARG 63 1HH2 ARG 63 -11.270 -1.015 -12.534 527 H ARG 64 H ARG 64 -8.385 3.322 -5.503 528 HA ARG 64 HA ARG 64 -10.010 5.667 -4.769 529 HB2 ARG 64 1HB ARG 64 -11.041 3.321 -4.384 530 HB3 ARG 64 2HB ARG 64 -9.885 3.196 -3.065 531 HG2 ARG 64 1HG ARG 64 -10.836 5.324 -2.149 532 HG3 ARG 64 2HG ARG 64 -12.099 5.205 -3.376 533 HD2 ARG 64 1HD ARG 64 -13.024 4.243 -1.441 534 HD3 ARG 64 2HD ARG 64 -12.557 2.881 -2.458 535 HE ARG 64 HE ARG 64 -10.452 3.514 -0.696 536 HH11 ARG 64 2HH1 ARG 64 -13.640 2.115 -0.717 537 HH12 ARG 64 1HH1 ARG 64 -13.349 1.108 0.663 538 HH21 ARG 64 2HH2 ARG 64 -10.057 2.194 1.122 539 HH22 ARG 64 1HH2 ARG 64 -11.311 1.155 1.709 540 H ILE 65 H ILE 65 -7.439 3.442 -3.776 541 HA ILE 65 HA ILE 65 -6.568 5.192 -1.648 542 HB ILE 65 HB ILE 65 -5.066 2.815 -2.726 543 HG12 ILE 65 1HG1 ILE 65 -7.311 2.884 -0.701 544 HG13 ILE 65 2HG1 ILE 65 -7.314 2.051 -2.252 545 HG21 ILE 65 1HG2 ILE 65 -3.674 3.132 -1.020 546 HG22 ILE 65 2HG2 ILE 65 -4.464 4.688 -0.767 547 HG23 ILE 65 3HG2 ILE 65 -5.007 3.269 0.127 548 HD11 ILE 65 1HD1 ILE 65 -5.151 0.934 -1.081 549 HD12 ILE 65 2HD1 ILE 65 -6.173 1.248 0.322 550 HD13 ILE 65 3HD1 ILE 65 -6.783 0.269 -1.012 551 H LEU 66 H LEU 66 -4.813 3.803 -4.427 552 HA LEU 66 HA LEU 66 -2.579 5.256 -4.512 553 HB2 LEU 66 1HB LEU 66 -2.868 3.744 -6.254 554 HB3 LEU 66 2HB LEU 66 -4.408 4.450 -6.739 555 HG LEU 66 HG LEU 66 -3.174 6.421 -7.606 556 HD11 LEU 66 1HD1 LEU 66 -1.162 6.596 -6.533 557 HD12 LEU 66 2HD1 LEU 66 -0.653 5.809 -8.027 558 HD13 LEU 66 3HD1 LEU 66 -0.870 4.856 -6.559 559 HD21 LEU 66 1HD2 LEU 66 -2.144 3.866 -8.816 560 HD22 LEU 66 2HD2 LEU 66 -2.499 5.392 -9.627 561 HD23 LEU 66 3HD2 LEU 66 -3.815 4.407 -8.986 562 HA PRO 67 HA PRO 67 -4.736 9.066 -6.586 563 HB2 PRO 67 1HB PRO 67 -7.446 9.154 -6.449 564 HB3 PRO 67 2HB PRO 67 -6.575 8.407 -7.794 565 HG2 PRO 67 1HG PRO 67 -7.843 7.118 -5.408 566 HG3 PRO 67 2HG PRO 67 -7.881 6.609 -7.107 567 HD2 PRO 67 1HD PRO 67 -6.229 5.479 -5.283 568 HD3 PRO 67 2HD PRO 67 -5.789 5.647 -6.995 569 H ASP 68 H ASP 68 -6.223 7.626 -3.737 570 HA ASP 68 HA ASP 68 -6.922 10.102 -2.501 571 HB2 ASP 68 1HB ASP 68 -8.134 8.160 -1.825 572 HB3 ASP 68 2HB ASP 68 -6.652 7.288 -1.442 573 H MET 69 H MET 69 -4.065 8.119 -2.594 574 HA MET 69 HA MET 69 -2.812 9.594 -0.416 575 HB2 MET 69 1HB MET 69 -0.976 8.034 -0.639 576 HB3 MET 69 2HB MET 69 -2.492 7.144 -0.600 577 HG2 MET 69 1HG MET 69 -2.422 6.857 -3.001 578 HG3 MET 69 2HG MET 69 -0.953 7.826 -3.094 579 HE1 MET 69 1HE MET 69 -1.522 5.194 -0.116 580 HE2 MET 69 2HE MET 69 -2.584 4.750 -1.452 581 HE3 MET 69 3HE MET 69 -1.219 3.716 -1.029 582 H LEU 70 H LEU 70 -2.732 9.349 -3.901 583 HA LEU 70 HA LEU 70 -0.315 10.720 -4.361 584 HB2 LEU 70 1HB LEU 70 -2.723 10.044 -5.950 585 HB3 LEU 70 2HB LEU 70 -1.688 11.331 -6.566 586 HG LEU 70 HG LEU 70 -0.677 8.571 -5.905 587 HD11 LEU 70 1HD1 LEU 70 -1.211 9.528 -8.686 588 HD12 LEU 70 2HD1 LEU 70 -2.492 8.768 -7.743 589 HD13 LEU 70 3HD1 LEU 70 -1.006 7.882 -8.086 590 HD21 LEU 70 1HD2 LEU 70 0.565 11.042 -6.616 591 HD22 LEU 70 2HD2 LEU 70 0.803 9.879 -7.921 592 HD23 LEU 70 3HD2 LEU 70 1.311 9.480 -6.279 593 H GLN 71 H GLN 71 -3.669 11.864 -4.163 594 HA GLN 71 HA GLN 71 -3.199 14.548 -4.771 595 HB2 GLN 71 1HB GLN 71 -5.345 15.007 -3.814 596 HB3 GLN 71 2HB GLN 71 -5.439 13.441 -4.608 597 HG2 GLN 71 1HG GLN 71 -6.522 13.001 -2.647 598 HG3 GLN 71 2HG GLN 71 -4.876 12.525 -2.232 599 HE21 GLN 71 1HE2 GLN 71 -6.657 13.099 -0.263 600 HE22 GLN 71 2HE2 GLN 71 -6.229 14.583 0.511 601 H GLN 72 H GLN 72 -2.832 12.770 -1.773 602 HA GLN 72 HA GLN 72 -2.599 14.959 -0.023 603 HB2 GLN 72 1HB GLN 72 -1.826 12.086 0.052 604 HB3 GLN 72 2HB GLN 72 -1.084 13.158 1.233 605 HG2 GLN 72 1HG GLN 72 -4.053 12.934 0.820 606 HG3 GLN 72 2HG GLN 72 -3.151 11.988 2.002 607 HE21 GLN 72 1HE2 GLN 72 -5.222 14.272 2.034 608 HE22 GLN 72 2HE2 GLN 72 -4.585 15.360 3.214 609 H ARG 73 H ARG 73 -0.842 16.108 0.729 610 HA ARG 73 HA ARG 73 1.160 16.804 -1.042 611 HB2 ARG 73 1HB ARG 73 2.281 17.872 0.868 612 HB3 ARG 73 2HB ARG 73 0.553 18.195 0.863 613 HG2 ARG 73 1HG ARG 73 0.179 16.633 2.623 614 HG3 ARG 73 2HG ARG 73 1.840 16.046 2.527 615 HD2 ARG 73 1HD ARG 73 2.697 18.115 3.347 616 HD3 ARG 73 2HD ARG 73 1.119 18.889 3.208 617 HE ARG 73 HE ARG 73 0.601 18.056 5.263 618 HH11 ARG 73 2HH1 ARG 73 3.181 16.146 3.915 619 HH12 ARG 73 1HH1 ARG 73 3.394 15.188 5.343 620 HH21 ARG 73 2HH2 ARG 73 0.871 16.801 7.148 621 HH22 ARG 73 1HH2 ARG 73 2.078 15.561 7.181 622 H ARG 74 H ARG 74 3.591 16.650 -0.446 623 HA ARG 74 HA ARG 74 4.291 13.957 0.474 624 HB2 ARG 74 1HB ARG 74 5.609 13.457 -1.429 625 HB3 ARG 74 2HB ARG 74 4.067 14.030 -2.051 626 HG2 ARG 74 1HG ARG 74 4.964 15.918 -2.933 627 HG3 ARG 74 2HG ARG 74 6.215 16.035 -1.695 628 HD2 ARG 74 1HD ARG 74 7.511 15.406 -3.457 629 HD3 ARG 74 2HD ARG 74 7.052 13.810 -2.865 630 HE ARG 74 HE ARG 74 5.824 13.488 -4.774 631 HH11 ARG 74 2HH1 ARG 74 6.650 16.858 -4.487 632 HH12 ARG 74 1HH1 ARG 74 6.081 17.266 -6.072 633 HH21 ARG 74 2HH2 ARG 74 5.072 14.013 -6.862 634 HH22 ARG 74 1HH2 ARG 74 5.183 15.648 -7.422 635 H ASN 75 H ASN 75 6.550 13.716 1.035 636 HA ASN 75 HA ASN 75 7.933 16.268 1.518 637 HB2 ASN 75 1HB ASN 75 7.301 14.071 3.459 638 HB3 ASN 75 2HB ASN 75 8.754 15.041 3.683 639 HD21 ASN 75 1HD2 ASN 75 8.481 17.360 3.853 640 HD22 ASN 75 2HD2 ASN 75 7.032 17.990 4.553 641 H ASP 76 H ASP 76 8.518 14.765 -0.669 642 HA ASP 76 HA ASP 76 11.127 13.602 0.043 643 HB2 ASP 76 1HB ASP 76 9.026 12.551 -1.826 644 HB3 ASP 76 2HB ASP 76 10.724 12.169 -2.096 645 HA PRO 77 HA PRO 77 12.507 16.818 -2.706 646 HB2 PRO 77 1HB PRO 77 15.147 16.201 -2.559 647 HB3 PRO 77 2HB PRO 77 14.288 17.059 -1.274 648 HG2 PRO 77 1HG PRO 77 15.003 14.158 -1.466 649 HG3 PRO 77 2HG PRO 77 15.114 15.249 -0.072 650 HD2 PRO 77 1HD PRO 77 13.081 13.488 -0.386 651 HD3 PRO 77 2HD PRO 77 12.869 15.057 0.416 652 H SER 78 H SER 78 14.266 16.809 -4.551 653 HA SER 78 HA SER 78 13.314 15.117 -6.584 654 HB2 SER 78 1HB SER 78 14.364 17.350 -6.959 655 HB3 SER 78 2HB SER 78 15.928 16.644 -6.554 656 HG SER 78 HG SER 78 14.326 15.500 -8.566 657 H GLY 79 H GLY 79 13.692 13.029 -6.878 658 HA2 GLY 79 1HA GLY 79 15.642 11.574 -5.437 659 HA3 GLY 79 2HA GLY 79 14.693 10.964 -6.784 660 HA PRO 80 HA PRO 80 18.175 10.998 -9.438 661 HB2 PRO 80 1HB PRO 80 17.216 12.020 -11.763 662 HB3 PRO 80 2HB PRO 80 16.786 10.411 -11.171 663 HG2 PRO 80 1HG PRO 80 15.249 12.973 -10.980 664 HG3 PRO 80 2HG PRO 80 14.667 11.346 -11.379 665 HD2 PRO 80 1HD PRO 80 14.372 12.435 -8.918 666 HD3 PRO 80 2HD PRO 80 14.597 10.692 -9.170 667 H SER 81 H SER 81 19.553 12.375 -10.908 668 HA SER 81 HA SER 81 19.637 15.120 -9.853 669 HB2 SER 81 1HB SER 81 21.778 13.225 -10.782 670 HB3 SER 81 2HB SER 81 22.075 14.963 -10.746 671 HG SER 81 HG SER 81 22.049 14.942 -8.616 672 H SER 82 H SER 82 19.892 16.865 -11.222 673 HA SER 82 HA SER 82 20.257 16.563 -14.044 674 HB2 SER 82 1HB SER 82 18.037 17.520 -14.679 675 HB3 SER 82 2HB SER 82 17.928 15.903 -13.985 676 HG SER 82 HG SER 82 17.699 17.373 -11.928 677 H GLY 83 H GLY 83 20.607 18.540 -15.104 678 HA2 GLY 83 1HA GLY 83 20.064 21.087 -14.194 679 HA3 GLY 83 2HA GLY 83 21.574 20.630 -13.420 Start of MODEL 18 1 H1 GLY 1 H GLY 1 7.089 -24.296 18.031 2 HA2 GLY 1 1HA GLY 1 6.033 -22.026 16.458 3 HA3 GLY 1 2HA GLY 1 7.500 -22.889 16.023 4 H SER 2 H SER 2 5.358 -22.541 14.262 5 HA SER 2 HA SER 2 4.941 -25.207 13.405 6 HB2 SER 2 1HB SER 2 3.215 -24.733 15.361 7 HB3 SER 2 2HB SER 2 2.322 -23.930 14.069 8 HG SER 2 HG SER 2 2.280 -25.854 12.934 9 H SER 3 H SER 3 3.858 -25.331 11.360 10 HA SER 3 HA SER 3 3.776 -22.732 9.979 11 HB2 SER 3 1HB SER 3 4.633 -25.469 9.117 12 HB3 SER 3 2HB SER 3 4.019 -24.342 7.908 13 HG SER 3 HG SER 3 6.275 -24.068 9.588 14 H GLY 4 H GLY 4 2.261 -25.961 9.926 15 HA2 GLY 4 1HA GLY 4 0.148 -26.628 9.322 16 HA3 GLY 4 2HA GLY 4 -0.370 -25.103 10.026 17 H SER 5 H SER 5 -2.044 -25.309 8.327 18 HA SER 5 HA SER 5 -1.055 -24.234 5.767 19 HB2 SER 5 1HB SER 5 -2.843 -25.383 4.613 20 HB3 SER 5 2HB SER 5 -1.966 -26.559 5.592 21 HG SER 5 HG SER 5 -4.371 -25.269 6.374 22 H SER 6 H SER 6 -2.983 -23.150 4.546 23 HA SER 6 HA SER 6 -4.793 -21.736 6.336 24 HB2 SER 6 1HB SER 6 -2.819 -20.312 6.375 25 HB3 SER 6 2HB SER 6 -2.753 -20.308 4.613 26 HG SER 6 HG SER 6 -3.789 -18.443 5.688 27 H GLY 7 H GLY 7 -6.437 -20.503 5.179 28 HA2 GLY 7 1HA GLY 7 -6.693 -20.641 2.352 29 HA3 GLY 7 2HA GLY 7 -7.632 -21.916 3.114 30 H LYS 8 H LYS 8 -8.142 -19.188 1.678 31 HA LYS 8 HA LYS 8 -10.450 -18.533 3.316 32 HB2 LYS 8 1HB LYS 8 -8.374 -16.462 2.576 33 HB3 LYS 8 2HB LYS 8 -9.946 -16.108 3.280 34 HG2 LYS 8 1HG LYS 8 -9.099 -17.774 5.142 35 HG3 LYS 8 2HG LYS 8 -7.520 -17.271 4.533 36 HD2 LYS 8 1HD LYS 8 -7.884 -15.032 5.103 37 HD3 LYS 8 2HD LYS 8 -9.630 -15.257 5.239 38 HE2 LYS 8 1HE LYS 8 -9.360 -16.539 7.254 39 HE3 LYS 8 2HE LYS 8 -7.606 -16.529 7.077 40 HZ1 LYS 8 1HZ LYS 8 -9.343 -14.182 7.618 41 HZ2 LYS 8 2HZ LYS 8 -7.680 -14.093 7.320 42 HZ3 LYS 8 3HZ LYS 8 -8.251 -14.901 8.692 43 H LYS 9 H LYS 9 -12.168 -18.190 2.066 44 HA LYS 9 HA LYS 9 -11.756 -17.238 -0.684 45 HB2 LYS 9 1HB LYS 9 -13.646 -18.825 -1.338 46 HB3 LYS 9 2HB LYS 9 -12.074 -19.548 -1.022 47 HG2 LYS 9 1HG LYS 9 -13.381 -20.987 0.146 48 HG3 LYS 9 2HG LYS 9 -13.080 -19.794 1.412 49 HD2 LYS 9 1HD LYS 9 -15.357 -19.989 1.572 50 HD3 LYS 9 2HD LYS 9 -15.241 -18.673 0.400 51 HE2 LYS 9 1HE LYS 9 -15.429 -21.554 -0.435 52 HE3 LYS 9 2HE LYS 9 -16.861 -20.573 -0.126 53 HZ1 LYS 9 1HZ LYS 9 -15.802 -18.949 -1.770 54 HZ2 LYS 9 2HZ LYS 9 -16.509 -20.354 -2.393 55 HZ3 LYS 9 3HZ LYS 9 -14.827 -20.250 -2.240 56 H ARG 10 H ARG 10 -12.802 -16.174 1.996 57 HA ARG 10 HA ARG 10 -15.538 -15.475 1.245 58 HB2 ARG 10 1HB ARG 10 -13.940 -15.093 3.773 59 HB3 ARG 10 2HB ARG 10 -15.517 -14.354 3.532 60 HG2 ARG 10 1HG ARG 10 -15.241 -17.286 3.115 61 HG3 ARG 10 2HG ARG 10 -15.262 -16.655 4.764 62 HD2 ARG 10 1HD ARG 10 -17.500 -17.007 4.428 63 HD3 ARG 10 2HD ARG 10 -17.356 -15.335 3.886 64 HE ARG 10 HE ARG 10 -16.947 -16.968 1.672 65 HH11 ARG 10 2HH1 ARG 10 -19.495 -16.209 3.919 66 HH12 ARG 10 1HH1 ARG 10 -20.766 -16.514 2.782 67 HH21 ARG 10 2HH2 ARG 10 -18.611 -17.372 0.166 68 HH22 ARG 10 1HH2 ARG 10 -20.262 -17.177 0.647 69 H LYS 11 H LYS 11 -15.927 -13.681 0.146 70 HA LYS 11 HA LYS 11 -13.925 -11.745 -0.402 71 HB2 LYS 11 1HB LYS 11 -15.765 -10.502 -1.518 72 HB3 LYS 11 2HB LYS 11 -15.654 -12.182 -2.029 73 HG2 LYS 11 1HG LYS 11 -17.485 -12.716 -0.424 74 HG3 LYS 11 2HG LYS 11 -17.656 -10.984 -0.128 75 HD2 LYS 11 1HD LYS 11 -18.073 -10.659 -2.549 76 HD3 LYS 11 2HD LYS 11 -18.012 -12.410 -2.765 77 HE2 LYS 11 1HE LYS 11 -20.293 -11.926 -2.596 78 HE3 LYS 11 2HE LYS 11 -19.852 -12.508 -0.991 79 HZ1 LYS 11 1HZ LYS 11 -20.823 -10.648 -0.279 80 HZ2 LYS 11 2HZ LYS 11 -20.797 -9.917 -1.804 81 HZ3 LYS 11 3HZ LYS 11 -19.431 -9.844 -0.808 82 H GLY 12 H GLY 12 -13.958 -9.484 0.124 83 HA2 GLY 12 1HA GLY 12 -15.449 -7.926 1.628 84 HA3 GLY 12 2HA GLY 12 -14.881 -9.037 2.866 85 H ASN 13 H ASN 13 -14.420 -6.066 2.031 86 HA ASN 13 HA ASN 13 -11.865 -5.521 1.290 87 HB2 ASN 13 1HB ASN 13 -13.708 -4.217 3.251 88 HB3 ASN 13 2HB ASN 13 -12.051 -3.634 3.130 89 HD21 ASN 13 1HD2 ASN 13 -11.401 -3.573 0.627 90 HD22 ASN 13 2HD2 ASN 13 -12.495 -2.637 -0.329 91 H LEU 14 H LEU 14 -9.852 -5.347 2.278 92 HA LEU 14 HA LEU 14 -9.346 -7.272 4.346 93 HB2 LEU 14 1HB LEU 14 -7.382 -5.287 3.236 94 HB3 LEU 14 2HB LEU 14 -7.048 -6.854 3.971 95 HG LEU 14 HG LEU 14 -8.585 -6.675 1.406 96 HD11 LEU 14 1HD1 LEU 14 -5.643 -6.340 1.813 97 HD12 LEU 14 2HD1 LEU 14 -6.729 -5.478 0.723 98 HD13 LEU 14 3HD1 LEU 14 -6.259 -7.140 0.367 99 HD21 LEU 14 1HD2 LEU 14 -8.506 -8.885 1.555 100 HD22 LEU 14 2HD2 LEU 14 -7.672 -8.747 3.104 101 HD23 LEU 14 3HD2 LEU 14 -6.743 -8.836 1.606 102 HA PRO 15 HA PRO 15 -9.443 -4.672 7.886 103 HB2 PRO 15 1HB PRO 15 -7.576 -5.883 9.442 104 HB3 PRO 15 2HB PRO 15 -9.170 -6.582 9.134 105 HG2 PRO 15 1HG PRO 15 -6.544 -7.210 7.840 106 HG3 PRO 15 2HG PRO 15 -7.815 -8.318 8.389 107 HD2 PRO 15 1HD PRO 15 -7.513 -7.620 5.790 108 HD3 PRO 15 2HD PRO 15 -9.098 -7.981 6.505 109 H ALA 16 H ALA 16 -8.514 -2.819 8.570 110 HA ALA 16 HA ALA 16 -6.571 -1.479 7.241 111 HB1 ALA 16 1HB ALA 16 -6.451 -0.951 10.116 112 HB2 ALA 16 2HB ALA 16 -6.864 0.123 8.779 113 HB3 ALA 16 3HB ALA 16 -8.084 -0.959 9.451 114 H GLU 17 H GLU 17 -5.935 -3.072 10.375 115 HA GLU 17 HA GLU 17 -3.294 -2.818 10.661 116 HB2 GLU 17 1HB GLU 17 -3.209 -5.057 11.684 117 HB3 GLU 17 2HB GLU 17 -4.632 -4.156 12.189 118 HG2 GLU 17 1HG GLU 17 -5.969 -5.398 10.532 119 HG3 GLU 17 2HG GLU 17 -4.539 -6.347 10.129 120 H SER 18 H SER 18 -4.789 -5.205 8.496 121 HA SER 18 HA SER 18 -2.288 -6.176 7.513 122 HB2 SER 18 1HB SER 18 -5.141 -6.518 6.588 123 HB3 SER 18 2HB SER 18 -3.777 -7.243 5.736 124 HG SER 18 HG SER 18 -4.368 -7.648 8.483 125 H VAL 19 H VAL 19 -4.791 -4.019 6.210 126 HA VAL 19 HA VAL 19 -3.801 -3.517 3.704 127 HB VAL 19 HB VAL 19 -5.094 -1.564 5.609 128 HG11 VAL 19 1HG1 VAL 19 -4.845 -1.283 2.620 129 HG12 VAL 19 2HG1 VAL 19 -5.497 -0.110 3.767 130 HG13 VAL 19 3HG1 VAL 19 -3.773 -0.482 3.768 131 HG21 VAL 19 1HG2 VAL 19 -7.136 -2.168 4.675 132 HG22 VAL 19 2HG2 VAL 19 -6.385 -2.881 3.247 133 HG23 VAL 19 3HG2 VAL 19 -6.287 -3.709 4.801 134 H LYS 20 H LYS 20 -2.926 -1.807 6.701 135 HA LYS 20 HA LYS 20 -1.241 0.115 5.876 136 HB2 LYS 20 1HB LYS 20 -1.690 -0.468 8.248 137 HB3 LYS 20 2HB LYS 20 -0.579 -1.823 8.100 138 HG2 LYS 20 1HG LYS 20 1.213 -0.176 7.518 139 HG3 LYS 20 2HG LYS 20 0.073 1.107 7.928 140 HD2 LYS 20 1HD LYS 20 0.518 -1.070 9.906 141 HD3 LYS 20 2HD LYS 20 1.780 0.147 9.705 142 HE2 LYS 20 1HE LYS 20 0.517 1.139 11.334 143 HE3 LYS 20 2HE LYS 20 -0.253 1.806 9.896 144 HZ1 LYS 20 1HZ LYS 20 -2.086 1.070 10.965 145 HZ2 LYS 20 2HZ LYS 20 -1.266 -0.144 11.811 146 HZ3 LYS 20 3HZ LYS 20 -1.692 -0.382 10.191 147 H ILE 21 H ILE 21 -0.485 -3.333 5.957 148 HA ILE 21 HA ILE 21 2.237 -3.107 5.249 149 HB ILE 21 HB ILE 21 0.270 -5.367 4.929 150 HG12 ILE 21 1HG1 ILE 21 2.108 -6.257 6.659 151 HG13 ILE 21 2HG1 ILE 21 2.290 -4.530 6.949 152 HG21 ILE 21 1HG2 ILE 21 3.049 -5.099 3.943 153 HG22 ILE 21 2HG2 ILE 21 2.603 -6.630 4.695 154 HG23 ILE 21 3HG2 ILE 21 1.702 -6.037 3.300 155 HD11 ILE 21 1HD1 ILE 21 0.042 -4.321 7.642 156 HD12 ILE 21 2HD1 ILE 21 -0.358 -5.940 7.066 157 HD13 ILE 21 3HD1 ILE 21 0.699 -5.737 8.463 158 H LEU 22 H LEU 22 -0.666 -3.705 3.284 159 HA LEU 22 HA LEU 22 0.725 -3.809 0.812 160 HB2 LEU 22 1HB LEU 22 -2.171 -3.299 1.462 161 HB3 LEU 22 2HB LEU 22 -1.552 -3.490 -0.177 162 HG LEU 22 HG LEU 22 -1.562 -5.584 1.996 163 HD11 LEU 22 1HD1 LEU 22 -3.184 -5.159 -0.494 164 HD12 LEU 22 2HD1 LEU 22 -3.745 -5.407 1.159 165 HD13 LEU 22 3HD1 LEU 22 -3.023 -6.744 0.264 166 HD21 LEU 22 1HD2 LEU 22 0.430 -5.823 0.656 167 HD22 LEU 22 2HD2 LEU 22 -0.511 -5.686 -0.829 168 HD23 LEU 22 3HD2 LEU 22 -0.723 -7.086 0.223 169 H ARG 23 H ARG 23 -1.329 -1.278 2.260 170 HA ARG 23 HA ARG 23 -1.081 0.672 0.344 171 HB2 ARG 23 1HB ARG 23 -1.477 0.720 3.296 172 HB3 ARG 23 2HB ARG 23 -1.107 2.241 2.494 173 HG2 ARG 23 1HG ARG 23 -3.028 1.780 0.947 174 HG3 ARG 23 2HG ARG 23 -3.449 0.424 1.995 175 HD2 ARG 23 1HD ARG 23 -3.674 1.956 3.887 176 HD3 ARG 23 2HD ARG 23 -3.237 3.311 2.846 177 HE ARG 23 HE ARG 23 -5.380 2.211 1.598 178 HH11 ARG 23 2HH1 ARG 23 -4.785 3.331 4.841 179 HH12 ARG 23 1HH1 ARG 23 -6.430 3.795 5.122 180 HH21 ARG 23 2HH2 ARG 23 -7.549 2.818 1.956 181 HH22 ARG 23 1HH2 ARG 23 -8.002 3.502 3.481 182 H ASP 24 H ASP 24 0.996 0.368 3.231 183 HA ASP 24 HA ASP 24 2.794 2.335 2.869 184 HB2 ASP 24 1HB ASP 24 2.780 0.427 4.608 185 HB3 ASP 24 2HB ASP 24 3.794 -0.441 3.459 186 H TRP 25 H TRP 25 2.931 -0.809 1.216 187 HA TRP 25 HA TRP 25 5.213 -0.080 -0.354 188 HB2 TRP 25 1HB TRP 25 4.842 -2.412 0.174 189 HB3 TRP 25 2HB TRP 25 3.258 -2.374 -0.597 190 HD1 TRP 25 HD TRP 25 6.840 -3.093 -1.307 191 HE1 TRP 25 1HE TRP 25 7.173 -3.545 -3.819 192 HE3 TRP 25 3HE TRP 25 2.298 -1.497 -3.027 193 HZ2 TRP 25 2HZ TRP 25 5.704 -3.261 -6.213 194 HZ3 TRP 25 3HZ TRP 25 1.842 -1.620 -5.442 195 HH2 TRP 25 HH TRP 25 3.511 -2.484 -7.001 196 H MET 26 H MET 26 1.727 -0.117 -0.840 197 HA MET 26 HA MET 26 1.733 0.353 -3.619 198 HB2 MET 26 1HB MET 26 -0.285 -0.407 -2.601 199 HB3 MET 26 2HB MET 26 -0.301 0.941 -1.471 200 HG2 MET 26 1HG MET 26 -1.900 1.572 -2.990 201 HG3 MET 26 2HG MET 26 -0.471 2.398 -3.605 202 HE1 MET 26 1HE MET 26 -3.211 -0.084 -5.971 203 HE2 MET 26 2HE MET 26 -3.332 0.153 -4.228 204 HE3 MET 26 3HE MET 26 -3.308 1.548 -5.308 205 H TYR 27 H TYR 27 2.211 2.436 -0.886 206 HA TYR 27 HA TYR 27 1.653 4.900 -2.189 207 HB2 TYR 27 1HB TYR 27 1.663 4.672 0.261 208 HB3 TYR 27 2HB TYR 27 3.393 4.351 0.225 209 HD1 TYR 27 2HD TYR 27 0.973 6.942 -0.969 210 HD2 TYR 27 1HD TYR 27 4.810 6.114 0.674 211 HE1 TYR 27 2HE TYR 27 1.417 9.355 -0.805 212 HE2 TYR 27 1HE TYR 27 5.264 8.525 0.844 213 HH TYR 27 HH TYR 27 3.191 10.786 0.909 214 H LYS 28 H LYS 28 4.750 3.382 -1.274 215 HA LYS 28 HA LYS 28 6.402 5.206 -2.604 216 HB2 LYS 28 1HB LYS 28 6.788 2.339 -1.773 217 HB3 LYS 28 2HB LYS 28 8.059 3.239 -2.591 218 HG2 LYS 28 1HG LYS 28 7.888 4.951 -0.768 219 HG3 LYS 28 2HG LYS 28 6.814 3.836 0.080 220 HD2 LYS 28 1HD LYS 28 9.429 2.797 -0.882 221 HD3 LYS 28 2HD LYS 28 9.429 3.871 0.519 222 HE2 LYS 28 1HE LYS 28 8.103 2.406 1.780 223 HE3 LYS 28 2HE LYS 28 7.596 1.500 0.355 224 HZ1 LYS 28 1HZ LYS 28 9.458 0.623 1.983 225 HZ2 LYS 28 2HZ LYS 28 10.450 1.546 0.971 226 HZ3 LYS 28 3HZ LYS 28 9.504 0.303 0.322 227 H HIS 29 H HIS 29 5.020 2.129 -3.696 228 HA HIS 29 HA HIS 29 6.131 2.527 -6.361 229 HB2 HIS 29 1HB HIS 29 4.434 0.258 -5.299 230 HB3 HIS 29 2HB HIS 29 5.275 0.292 -6.846 231 HD1 HIS 29 1HD HIS 29 7.931 0.223 -6.723 232 HD2 HIS 29 2HD HIS 29 5.943 -0.575 -3.163 233 HE1 HIS 29 1HE HIS 29 9.642 -0.845 -5.222 234 HE2 HIS 29 2HE HIS 29 8.395 -1.397 -3.105 235 H ARG 30 H ARG 30 3.588 3.751 -4.801 236 HA ARG 30 HA ARG 30 1.260 3.318 -6.095 237 HB2 ARG 30 1HB ARG 30 0.578 5.495 -5.515 238 HB3 ARG 30 2HB ARG 30 1.794 5.073 -4.317 239 HG2 ARG 30 1HG ARG 30 3.451 6.394 -5.475 240 HG3 ARG 30 2HG ARG 30 2.303 6.745 -6.769 241 HD2 ARG 30 1HD ARG 30 0.843 7.859 -5.105 242 HD3 ARG 30 2HD ARG 30 2.084 7.589 -3.882 243 HE ARG 30 HE ARG 30 2.055 9.635 -5.863 244 HH11 ARG 30 2HH1 ARG 30 4.158 7.556 -4.025 245 HH12 ARG 30 1HH1 ARG 30 5.511 8.635 -4.106 246 HH21 ARG 30 2HH2 ARG 30 3.829 11.064 -5.976 247 HH22 ARG 30 1HH2 ARG 30 5.322 10.631 -5.215 248 H PHE 31 H PHE 31 3.995 5.166 -7.352 249 HA PHE 31 HA PHE 31 3.070 6.411 -9.539 250 HB2 PHE 31 1HB PHE 31 5.546 4.715 -9.266 251 HB3 PHE 31 2HB PHE 31 5.214 5.652 -10.719 252 HD1 PHE 31 1HD PHE 31 4.093 8.118 -9.635 253 HD2 PHE 31 2HD PHE 31 7.344 5.747 -8.246 254 HE1 PHE 31 1HE PHE 31 5.089 10.106 -8.582 255 HE2 PHE 31 2HE PHE 31 8.344 7.731 -7.190 256 HZ PHE 31 HZ PHE 31 7.216 9.914 -7.356 257 H LYS 32 H LYS 32 3.563 2.921 -9.276 258 HA LYS 32 HA LYS 32 2.158 2.588 -11.844 259 HB2 LYS 32 1HB LYS 32 3.234 0.360 -11.956 260 HB3 LYS 32 2HB LYS 32 4.399 1.677 -11.932 261 HG2 LYS 32 1HG LYS 32 4.327 1.187 -9.326 262 HG3 LYS 32 2HG LYS 32 3.846 -0.410 -9.904 263 HD2 LYS 32 1HD LYS 32 6.110 -0.684 -9.910 264 HD3 LYS 32 2HD LYS 32 5.903 -0.025 -11.534 265 HE2 LYS 32 1HE LYS 32 6.286 2.260 -10.482 266 HE3 LYS 32 2HE LYS 32 6.827 1.390 -9.047 267 HZ1 LYS 32 1HZ LYS 32 8.374 0.190 -10.690 268 HZ2 LYS 32 2HZ LYS 32 8.774 1.759 -10.203 269 HZ3 LYS 32 3HZ LYS 32 8.067 1.498 -11.718 270 H ALA 33 H ALA 33 2.269 1.683 -8.474 271 HA ALA 33 HA ALA 33 0.844 0.515 -7.130 272 HB1 ALA 33 1HB ALA 33 -1.126 1.549 -9.164 273 HB2 ALA 33 2HB ALA 33 -1.567 0.826 -7.617 274 HB3 ALA 33 3HB ALA 33 -0.645 2.329 -7.657 275 H TYR 34 H TYR 34 2.155 -0.964 -9.266 276 HA TYR 34 HA TYR 34 0.274 -3.216 -9.422 277 HB2 TYR 34 1HB TYR 34 1.915 -2.044 -11.658 278 HB3 TYR 34 2HB TYR 34 1.354 -3.712 -11.702 279 HD1 TYR 34 1HD TYR 34 -1.259 -3.957 -11.153 280 HD2 TYR 34 2HD TYR 34 0.608 -0.464 -12.707 281 HE1 TYR 34 1HE TYR 34 -3.421 -3.210 -12.056 282 HE2 TYR 34 2HE TYR 34 -1.549 0.294 -13.613 283 HH TYR 34 HH TYR 34 -4.512 -1.610 -13.137 284 HA PRO 35 HA PRO 35 4.121 -4.714 -7.479 285 HB2 PRO 35 1HB PRO 35 2.878 -6.660 -6.051 286 HB3 PRO 35 2HB PRO 35 2.966 -4.980 -5.511 287 HG2 PRO 35 1HG PRO 35 0.719 -6.417 -6.870 288 HG3 PRO 35 2HG PRO 35 0.661 -5.288 -5.505 289 HD2 PRO 35 1HD PRO 35 0.064 -4.542 -8.038 290 HD3 PRO 35 2HD PRO 35 0.810 -3.435 -6.868 291 H SER 36 H SER 36 5.119 -6.872 -7.489 292 HA SER 36 HA SER 36 4.289 -8.385 -9.867 293 HB2 SER 36 1HB SER 36 6.649 -7.323 -9.600 294 HB3 SER 36 2HB SER 36 6.962 -8.685 -8.524 295 HG SER 36 HG SER 36 6.420 -10.076 -10.254 296 H GLU 37 H GLU 37 4.300 -10.675 -9.836 297 HA GLU 37 HA GLU 37 2.959 -11.980 -7.930 298 HB2 GLU 37 1HB GLU 37 5.267 -13.080 -9.538 299 HB3 GLU 37 2HB GLU 37 4.159 -14.081 -8.610 300 HG2 GLU 37 1HG GLU 37 2.337 -12.842 -10.016 301 HG3 GLU 37 2HG GLU 37 3.683 -12.545 -11.114 302 H GLU 38 H GLU 38 6.342 -11.123 -7.753 303 HA GLU 38 HA GLU 38 6.896 -12.709 -5.429 304 HB2 GLU 38 1HB GLU 38 8.382 -10.531 -6.878 305 HB3 GLU 38 2HB GLU 38 8.968 -11.178 -5.352 306 HG2 GLU 38 1HG GLU 38 10.121 -12.387 -6.965 307 HG3 GLU 38 2HG GLU 38 8.820 -13.468 -6.466 308 H GLU 39 H GLU 39 6.432 -9.227 -6.009 309 HA GLU 39 HA GLU 39 6.700 -8.335 -3.397 310 HB2 GLU 39 1HB GLU 39 4.881 -7.270 -5.564 311 HB3 GLU 39 2HB GLU 39 5.303 -6.408 -4.092 312 HG2 GLU 39 1HG GLU 39 7.130 -7.189 -6.345 313 HG3 GLU 39 2HG GLU 39 6.659 -5.565 -5.849 314 H LYS 40 H LYS 40 3.709 -9.272 -5.089 315 HA LYS 40 HA LYS 40 1.924 -8.881 -3.001 316 HB2 LYS 40 1HB LYS 40 1.505 -11.243 -4.761 317 HB3 LYS 40 2HB LYS 40 0.378 -9.975 -4.296 318 HG2 LYS 40 1HG LYS 40 1.862 -8.454 -5.777 319 HG3 LYS 40 2HG LYS 40 2.430 -9.977 -6.467 320 HD2 LYS 40 1HD LYS 40 0.019 -10.574 -6.863 321 HD3 LYS 40 2HD LYS 40 -0.393 -8.922 -6.399 322 HE2 LYS 40 1HE LYS 40 0.896 -8.032 -8.222 323 HE3 LYS 40 2HE LYS 40 1.515 -9.633 -8.622 324 HZ1 LYS 40 1HZ LYS 40 -1.075 -8.445 -9.208 325 HZ2 LYS 40 2HZ LYS 40 -1.086 -10.085 -8.795 326 HZ3 LYS 40 3HZ LYS 40 -0.162 -9.550 -10.107 327 H GLN 41 H GLN 41 3.289 -12.031 -3.982 328 HA GLN 41 HA GLN 41 2.412 -13.582 -1.919 329 HB2 GLN 41 1HB GLN 41 3.874 -14.199 -3.958 330 HB3 GLN 41 2HB GLN 41 5.239 -13.846 -2.908 331 HG2 GLN 41 1HG GLN 41 4.786 -16.209 -2.907 332 HG3 GLN 41 2HG GLN 41 4.436 -15.530 -1.318 333 HE21 GLN 41 1HE2 GLN 41 2.781 -16.562 -0.473 334 HE22 GLN 41 2HE2 GLN 41 1.320 -16.989 -1.291 335 H MET 42 H MET 42 5.236 -11.451 -1.915 336 HA MET 42 HA MET 42 6.274 -12.169 0.581 337 HB2 MET 42 1HB MET 42 7.725 -10.859 -0.647 338 HB3 MET 42 2HB MET 42 6.462 -9.746 -1.153 339 HG2 MET 42 1HG MET 42 6.380 -8.887 1.182 340 HG3 MET 42 2HG MET 42 7.778 -9.897 1.545 341 HE1 MET 42 1HE MET 42 6.458 -6.618 0.243 342 HE2 MET 42 2HE MET 42 7.686 -6.012 -0.868 343 HE3 MET 42 3HE MET 42 6.653 -7.360 -1.346 344 H LEU 43 H LEU 43 4.060 -9.507 -0.261 345 HA LEU 43 HA LEU 43 3.668 -8.614 2.382 346 HB2 LEU 43 1HB LEU 43 1.739 -8.377 0.082 347 HB3 LEU 43 2HB LEU 43 1.807 -7.360 1.519 348 HG LEU 43 HG LEU 43 4.128 -7.480 -0.373 349 HD11 LEU 43 1HD1 LEU 43 1.575 -6.724 -1.178 350 HD12 LEU 43 2HD1 LEU 43 3.099 -6.344 -1.979 351 HD13 LEU 43 3HD1 LEU 43 2.405 -5.210 -0.820 352 HD21 LEU 43 1HD2 LEU 43 4.319 -5.100 0.469 353 HD22 LEU 43 2HD2 LEU 43 4.621 -6.373 1.652 354 HD23 LEU 43 3HD2 LEU 43 3.078 -5.518 1.651 355 H SER 44 H SER 44 1.980 -10.991 0.402 356 HA SER 44 HA SER 44 -0.275 -11.423 1.951 357 HB2 SER 44 1HB SER 44 -0.316 -12.568 -0.067 358 HB3 SER 44 2HB SER 44 1.334 -13.161 0.116 359 HG SER 44 HG SER 44 0.643 -14.763 1.372 360 H GLU 45 H GLU 45 3.015 -12.229 2.599 361 HA GLU 45 HA GLU 45 2.495 -14.273 4.533 362 HB2 GLU 45 1HB GLU 45 4.954 -12.597 4.006 363 HB3 GLU 45 2HB GLU 45 4.895 -13.934 5.146 364 HG2 GLU 45 1HG GLU 45 4.570 -15.515 3.429 365 HG3 GLU 45 2HG GLU 45 4.224 -14.262 2.240 366 H LYS 46 H LYS 46 3.004 -10.794 4.630 367 HA LYS 46 HA LYS 46 3.022 -10.700 7.516 368 HB2 LYS 46 1HB LYS 46 2.802 -8.438 5.521 369 HB3 LYS 46 2HB LYS 46 3.163 -8.281 7.236 370 HG2 LYS 46 1HG LYS 46 5.315 -8.977 6.991 371 HG3 LYS 46 2HG LYS 46 4.944 -10.000 5.601 372 HD2 LYS 46 1HD LYS 46 4.694 -8.009 4.202 373 HD3 LYS 46 2HD LYS 46 5.051 -6.983 5.593 374 HE2 LYS 46 1HE LYS 46 7.042 -7.205 4.269 375 HE3 LYS 46 2HE LYS 46 7.264 -8.094 5.775 376 HZ1 LYS 46 1HZ LYS 46 6.468 -10.095 4.416 377 HZ2 LYS 46 2HZ LYS 46 8.045 -9.540 4.165 378 HZ3 LYS 46 3HZ LYS 46 6.826 -9.153 3.057 379 H THR 47 H THR 47 0.765 -9.929 4.907 380 HA THR 47 HA THR 47 -1.286 -9.084 6.773 381 HB THR 47 HB THR 47 -2.682 -8.709 4.807 382 HG1 THR 47 1HG THR 47 -0.548 -10.021 3.464 383 HG21 THR 47 1HG2 THR 47 -1.229 -6.895 5.333 384 HG22 THR 47 2HG2 THR 47 -1.171 -7.103 3.583 385 HG23 THR 47 3HG2 THR 47 0.150 -7.700 4.586 386 H ASN 48 H ASN 48 -0.201 -12.003 5.471 387 HA ASN 48 HA ASN 48 -0.990 -14.136 5.515 388 HB2 ASN 48 1HB ASN 48 -2.658 -12.818 7.635 389 HB3 ASN 48 2HB ASN 48 -2.962 -14.494 7.186 390 HD21 ASN 48 1HD2 ASN 48 -1.326 -16.042 7.529 391 HD22 ASN 48 2HD2 ASN 48 -0.072 -15.771 8.687 392 H LEU 49 H LEU 49 -2.018 -12.287 3.539 393 HA LEU 49 HA LEU 49 -4.772 -13.208 3.153 394 HB2 LEU 49 1HB LEU 49 -3.246 -11.188 1.524 395 HB3 LEU 49 2HB LEU 49 -4.982 -11.488 1.503 396 HG LEU 49 HG LEU 49 -3.520 -10.412 3.907 397 HD11 LEU 49 1HD1 LEU 49 -4.701 -8.247 3.136 398 HD12 LEU 49 2HD1 LEU 49 -4.703 -9.008 1.546 399 HD13 LEU 49 3HD1 LEU 49 -3.177 -8.708 2.377 400 HD21 LEU 49 1HD2 LEU 49 -5.700 -9.824 4.696 401 HD22 LEU 49 2HD2 LEU 49 -5.724 -11.528 4.243 402 HD23 LEU 49 3HD2 LEU 49 -6.442 -10.321 3.175 403 H SER 50 H SER 50 -5.141 -13.273 0.533 404 HA SER 50 HA SER 50 -3.267 -15.343 -0.405 405 HB2 SER 50 1HB SER 50 -6.198 -14.975 -1.069 406 HB3 SER 50 2HB SER 50 -5.155 -16.228 -1.739 407 HG SER 50 HG SER 50 -4.867 -17.014 0.390 408 H LEU 51 H LEU 51 -2.328 -15.151 -2.370 409 HA LEU 51 HA LEU 51 -1.732 -12.851 -3.581 410 HB2 LEU 51 1HB LEU 51 -2.246 -15.531 -4.829 411 HB3 LEU 51 2HB LEU 51 -1.669 -14.165 -5.782 412 HG LEU 51 HG LEU 51 -0.225 -15.367 -3.421 413 HD11 LEU 51 1HD1 LEU 51 0.257 -16.984 -4.898 414 HD12 LEU 51 2HD1 LEU 51 1.350 -15.785 -5.590 415 HD13 LEU 51 3HD1 LEU 51 -0.256 -16.017 -6.281 416 HD21 LEU 51 1HD2 LEU 51 1.068 -13.566 -3.461 417 HD22 LEU 51 2HD2 LEU 51 0.025 -12.853 -4.692 418 HD23 LEU 51 3HD2 LEU 51 1.415 -13.829 -5.170 419 H LEU 52 H LEU 52 -4.625 -14.760 -4.367 420 HA LEU 52 HA LEU 52 -5.648 -13.150 -6.388 421 HB2 LEU 52 1HB LEU 52 -6.656 -15.241 -6.068 422 HB3 LEU 52 2HB LEU 52 -6.945 -14.934 -4.357 423 HG LEU 52 HG LEU 52 -8.641 -13.220 -5.041 424 HD11 LEU 52 1HD1 LEU 52 -8.225 -12.582 -7.200 425 HD12 LEU 52 2HD1 LEU 52 -9.504 -13.767 -7.458 426 HD13 LEU 52 3HD1 LEU 52 -7.820 -14.216 -7.724 427 HD21 LEU 52 1HD2 LEU 52 -9.213 -15.986 -6.088 428 HD22 LEU 52 2HD2 LEU 52 -10.366 -14.820 -5.438 429 HD23 LEU 52 3HD2 LEU 52 -9.175 -15.571 -4.375 430 H GLN 53 H GLN 53 -6.235 -12.984 -2.886 431 HA GLN 53 HA GLN 53 -7.991 -10.775 -2.993 432 HB2 GLN 53 1HB GLN 53 -6.279 -11.901 -0.781 433 HB3 GLN 53 2HB GLN 53 -7.357 -10.533 -0.542 434 HG2 GLN 53 1HG GLN 53 -9.269 -11.880 -1.104 435 HG3 GLN 53 2HG GLN 53 -8.230 -13.245 -1.508 436 HE21 GLN 53 1HE2 GLN 53 -8.470 -10.974 1.212 437 HE22 GLN 53 2HE2 GLN 53 -8.509 -12.187 2.442 438 H ILE 54 H ILE 54 -4.493 -11.039 -2.631 439 HA ILE 54 HA ILE 54 -3.891 -8.410 -1.957 440 HB ILE 54 HB ILE 54 -2.260 -10.237 -3.725 441 HG12 ILE 54 1HG1 ILE 54 -2.846 -11.279 -1.573 442 HG13 ILE 54 2HG1 ILE 54 -1.127 -10.911 -1.661 443 HG21 ILE 54 1HG2 ILE 54 -0.896 -8.489 -3.907 444 HG22 ILE 54 2HG2 ILE 54 -1.836 -7.553 -2.746 445 HG23 ILE 54 3HG2 ILE 54 -0.578 -8.651 -2.180 446 HD11 ILE 54 1HD1 ILE 54 -3.256 -9.525 -0.076 447 HD12 ILE 54 2HD1 ILE 54 -1.774 -10.293 0.493 448 HD13 ILE 54 3HD1 ILE 54 -1.694 -8.775 -0.401 449 H SER 55 H SER 55 -3.458 -9.756 -5.230 450 HA SER 55 HA SER 55 -3.225 -7.327 -6.548 451 HB2 SER 55 1HB SER 55 -2.750 -9.644 -7.473 452 HB3 SER 55 2HB SER 55 -4.483 -9.791 -7.765 453 HG SER 55 HG SER 55 -2.832 -7.723 -8.795 454 H ASN 56 H ASN 56 -6.133 -9.283 -5.986 455 HA ASN 56 HA ASN 56 -7.982 -7.813 -7.410 456 HB2 ASN 56 1HB ASN 56 -8.153 -9.486 -4.934 457 HB3 ASN 56 2HB ASN 56 -9.564 -8.562 -5.440 458 HD21 ASN 56 1HD2 ASN 56 -9.982 -11.120 -5.381 459 HD22 ASN 56 2HD2 ASN 56 -9.955 -11.839 -6.952 460 H TRP 57 H TRP 57 -6.818 -7.271 -4.107 461 HA TRP 57 HA TRP 57 -8.514 -5.082 -3.540 462 HB2 TRP 57 1HB TRP 57 -7.527 -6.147 -1.677 463 HB3 TRP 57 2HB TRP 57 -5.910 -6.036 -2.365 464 HD1 TRP 57 HD TRP 57 -8.446 -4.057 -0.346 465 HE1 TRP 57 1HE TRP 57 -7.331 -1.910 0.530 466 HE3 TRP 57 3HE TRP 57 -4.060 -4.296 -2.961 467 HZ2 TRP 57 2HZ TRP 57 -4.912 -0.502 0.160 468 HZ3 TRP 57 3HZ TRP 57 -2.398 -2.509 -2.643 469 HH2 TRP 57 HH TRP 57 -2.818 -0.652 -1.115 470 H PHE 58 H PHE 58 -5.227 -5.293 -4.837 471 HA PHE 58 HA PHE 58 -4.577 -2.592 -4.847 472 HB2 PHE 58 1HB PHE 58 -3.714 -4.968 -6.415 473 HB3 PHE 58 2HB PHE 58 -3.287 -3.384 -7.054 474 HD1 PHE 58 2HD PHE 58 -1.949 -1.818 -5.623 475 HD2 PHE 58 1HD PHE 58 -2.548 -5.908 -4.611 476 HE1 PHE 58 2HE PHE 58 -0.032 -1.714 -4.085 477 HE2 PHE 58 1HE PHE 58 -0.632 -5.811 -3.070 478 HZ PHE 58 HZ PHE 58 0.630 -3.712 -2.806 479 H ILE 59 H ILE 59 -6.383 -4.490 -7.218 480 HA ILE 59 HA ILE 59 -6.594 -2.667 -9.278 481 HB ILE 59 HB ILE 59 -8.705 -4.592 -8.300 482 HG12 ILE 59 1HG1 ILE 59 -6.813 -4.927 -10.623 483 HG13 ILE 59 2HG1 ILE 59 -6.407 -5.471 -8.999 484 HG21 ILE 59 1HG2 ILE 59 -9.895 -3.150 -9.673 485 HG22 ILE 59 2HG2 ILE 59 -8.525 -2.885 -10.750 486 HG23 ILE 59 3HG2 ILE 59 -9.391 -4.421 -10.786 487 HD11 ILE 59 1HD1 ILE 59 -8.540 -6.824 -9.071 488 HD12 ILE 59 2HD1 ILE 59 -8.597 -6.455 -10.795 489 HD13 ILE 59 3HD1 ILE 59 -7.232 -7.352 -10.130 490 H ASN 60 H ASN 60 -9.275 -3.211 -6.998 491 HA ASN 60 HA ASN 60 -10.531 -0.756 -7.556 492 HB2 ASN 60 1HB ASN 60 -10.896 -2.170 -4.933 493 HB3 ASN 60 2HB ASN 60 -12.093 -1.338 -5.921 494 HD21 ASN 60 1HD2 ASN 60 -12.283 -2.361 -8.196 495 HD22 ASN 60 2HD2 ASN 60 -12.438 -4.082 -8.210 496 H ALA 61 H ALA 61 -8.071 -1.668 -5.256 497 HA ALA 61 HA ALA 61 -8.278 0.689 -3.647 498 HB1 ALA 61 1HB ALA 61 -5.971 -1.239 -3.885 499 HB2 ALA 61 2HB ALA 61 -6.241 -0.073 -2.589 500 HB3 ALA 61 3HB ALA 61 -7.348 -1.430 -2.799 501 H ARG 62 H ARG 62 -6.764 -0.093 -6.637 502 HA ARG 62 HA ARG 62 -4.807 2.022 -6.527 503 HB2 ARG 62 1HB ARG 62 -4.326 -0.001 -7.799 504 HB3 ARG 62 2HB ARG 62 -5.731 0.281 -8.818 505 HG2 ARG 62 1HG ARG 62 -4.672 2.402 -9.577 506 HG3 ARG 62 2HG ARG 62 -3.228 1.943 -8.672 507 HD2 ARG 62 1HD ARG 62 -2.663 1.101 -10.712 508 HD3 ARG 62 2HD ARG 62 -3.522 -0.293 -10.060 509 HE ARG 62 HE ARG 62 -4.425 1.487 -12.173 510 HH11 ARG 62 2HH1 ARG 62 -5.177 -1.100 -9.969 511 HH12 ARG 62 1HH1 ARG 62 -6.552 -1.645 -10.871 512 HH21 ARG 62 2HH2 ARG 62 -6.233 0.780 -13.371 513 HH22 ARG 62 1HH2 ARG 62 -7.151 -0.575 -12.807 514 H ARG 63 H ARG 63 -8.111 1.796 -7.247 515 HA ARG 63 HA ARG 63 -8.044 4.280 -8.821 516 HB2 ARG 63 1HB ARG 63 -10.014 3.658 -9.852 517 HB3 ARG 63 2HB ARG 63 -9.250 2.094 -9.605 518 HG2 ARG 63 1HG ARG 63 -10.598 2.041 -7.404 519 HG3 ARG 63 2HG ARG 63 -11.563 3.312 -8.158 520 HD2 ARG 63 1HD ARG 63 -11.664 1.676 -10.173 521 HD3 ARG 63 2HD ARG 63 -11.206 0.458 -8.983 522 HE ARG 63 HE ARG 63 -13.325 0.552 -8.134 523 HH11 ARG 63 2HH1 ARG 63 -12.766 3.377 -10.089 524 HH12 ARG 63 1HH1 ARG 63 -14.407 3.925 -9.998 525 HH21 ARG 63 2HH2 ARG 63 -15.489 1.263 -8.006 526 HH22 ARG 63 1HH2 ARG 63 -15.955 2.723 -8.812 527 H ARG 64 H ARG 64 -8.393 3.271 -5.721 528 HA ARG 64 HA ARG 64 -10.133 5.552 -5.059 529 HB2 ARG 64 1HB ARG 64 -11.093 3.162 -4.718 530 HB3 ARG 64 2HB ARG 64 -10.006 3.096 -3.338 531 HG2 ARG 64 1HG ARG 64 -11.127 4.824 -2.226 532 HG3 ARG 64 2HG ARG 64 -11.967 5.335 -3.692 533 HD2 ARG 64 1HD ARG 64 -13.126 3.105 -3.680 534 HD3 ARG 64 2HD ARG 64 -12.423 2.828 -2.086 535 HE ARG 64 HE ARG 64 -14.629 4.557 -2.736 536 HH11 ARG 64 2HH1 ARG 64 -12.079 3.889 -0.461 537 HH12 ARG 64 1HH1 ARG 64 -12.875 4.678 0.861 538 HH21 ARG 64 2HH2 ARG 64 -15.686 5.598 -1.004 539 HH22 ARG 64 1HH2 ARG 64 -14.926 5.649 0.551 540 H ILE 65 H ILE 65 -7.545 3.405 -3.946 541 HA ILE 65 HA ILE 65 -6.815 5.215 -1.806 542 HB ILE 65 HB ILE 65 -5.251 2.814 -2.738 543 HG12 ILE 65 1HG1 ILE 65 -7.703 2.988 -1.009 544 HG13 ILE 65 2HG1 ILE 65 -7.360 1.873 -2.327 545 HG21 ILE 65 1HG2 ILE 65 -3.931 3.196 -0.989 546 HG22 ILE 65 2HG2 ILE 65 -4.734 4.756 -0.822 547 HG23 ILE 65 3HG2 ILE 65 -5.310 3.366 0.097 548 HD11 ILE 65 1HD1 ILE 65 -5.382 1.332 -0.485 549 HD12 ILE 65 2HD1 ILE 65 -6.814 1.628 0.501 550 HD13 ILE 65 3HD1 ILE 65 -6.850 0.395 -0.758 551 H LEU 66 H LEU 66 -5.026 3.823 -4.566 552 HA LEU 66 HA LEU 66 -2.759 5.285 -4.540 553 HB2 LEU 66 1HB LEU 66 -2.965 3.691 -6.233 554 HB3 LEU 66 2HB LEU 66 -4.462 4.396 -6.839 555 HG LEU 66 HG LEU 66 -3.107 6.353 -7.635 556 HD11 LEU 66 1HD1 LEU 66 -1.115 6.406 -6.522 557 HD12 LEU 66 2HD1 LEU 66 -0.618 5.567 -7.991 558 HD13 LEU 66 3HD1 LEU 66 -0.940 4.651 -6.519 559 HD21 LEU 66 1HD2 LEU 66 -3.590 3.904 -8.801 560 HD22 LEU 66 2HD2 LEU 66 -1.866 4.154 -9.078 561 HD23 LEU 66 3HD2 LEU 66 -3.032 5.357 -9.630 562 HA PRO 67 HA PRO 67 -4.923 8.972 -6.833 563 HB2 PRO 67 1HB PRO 67 -7.635 9.035 -6.713 564 HB3 PRO 67 2HB PRO 67 -6.749 8.238 -8.019 565 HG2 PRO 67 1HG PRO 67 -8.015 7.043 -5.583 566 HG3 PRO 67 2HG PRO 67 -8.038 6.459 -7.257 567 HD2 PRO 67 1HD PRO 67 -6.383 5.430 -5.377 568 HD3 PRO 67 2HD PRO 67 -5.937 5.526 -7.093 569 H ASP 68 H ASP 68 -6.085 7.621 -3.851 570 HA ASP 68 HA ASP 68 -6.898 10.169 -2.750 571 HB2 ASP 68 1HB ASP 68 -8.050 8.063 -2.126 572 HB3 ASP 68 2HB ASP 68 -6.562 7.495 -1.374 573 H MET 69 H MET 69 -4.147 7.990 -2.550 574 HA MET 69 HA MET 69 -2.852 9.337 -0.405 575 HB2 MET 69 1HB MET 69 -0.829 8.055 -1.203 576 HB3 MET 69 2HB MET 69 -2.233 7.075 -0.802 577 HG2 MET 69 1HG MET 69 -2.780 6.842 -3.146 578 HG3 MET 69 2HG MET 69 -1.442 7.901 -3.585 579 HE1 MET 69 1HE MET 69 -2.288 5.116 -1.298 580 HE2 MET 69 2HE MET 69 -1.357 3.728 -1.862 581 HE3 MET 69 3HE MET 69 -0.637 4.870 -0.725 582 H LEU 70 H LEU 70 -2.485 9.443 -3.934 583 HA LEU 70 HA LEU 70 -0.318 11.081 -4.214 584 HB2 LEU 70 1HB LEU 70 -2.787 10.632 -5.772 585 HB3 LEU 70 2HB LEU 70 -1.872 12.086 -6.163 586 HG LEU 70 HG LEU 70 0.125 10.333 -6.269 587 HD11 LEU 70 1HD1 LEU 70 -2.337 8.714 -6.896 588 HD12 LEU 70 2HD1 LEU 70 -1.140 8.395 -5.641 589 HD13 LEU 70 3HD1 LEU 70 -0.694 8.252 -7.341 590 HD21 LEU 70 1HD2 LEU 70 -0.622 10.022 -8.755 591 HD22 LEU 70 2HD2 LEU 70 -0.190 11.621 -8.147 592 HD23 LEU 70 3HD2 LEU 70 -1.888 11.167 -8.307 593 H GLN 71 H GLN 71 -3.692 12.193 -3.896 594 HA GLN 71 HA GLN 71 -2.866 14.932 -3.569 595 HB2 GLN 71 1HB GLN 71 -5.317 15.302 -3.119 596 HB3 GLN 71 2HB GLN 71 -4.943 14.586 -4.681 597 HG2 GLN 71 1HG GLN 71 -5.611 12.421 -3.926 598 HG3 GLN 71 2HG GLN 71 -5.792 13.002 -2.271 599 HE21 GLN 71 1HE2 GLN 71 -7.897 11.766 -3.112 600 HE22 GLN 71 2HE2 GLN 71 -9.167 12.836 -3.587 601 H GLN 72 H GLN 72 -1.449 14.509 -1.717 602 HA GLN 72 HA GLN 72 -2.975 14.569 0.797 603 HB2 GLN 72 1HB GLN 72 -1.824 12.377 0.467 604 HB3 GLN 72 2HB GLN 72 -0.289 13.235 0.434 605 HG2 GLN 72 1HG GLN 72 -0.399 12.500 2.610 606 HG3 GLN 72 2HG GLN 72 -1.019 14.146 2.738 607 HE21 GLN 72 1HE2 GLN 72 -1.440 11.386 4.113 608 HE22 GLN 72 2HE2 GLN 72 -3.155 11.322 4.309 609 H ARG 73 H ARG 73 -2.203 15.934 2.405 610 HA ARG 73 HA ARG 73 -0.892 18.270 1.549 611 HB2 ARG 73 1HB ARG 73 -1.020 19.004 3.824 612 HB3 ARG 73 2HB ARG 73 -2.488 18.102 3.472 613 HG2 ARG 73 1HG ARG 73 -1.987 17.206 5.493 614 HG3 ARG 73 2HG ARG 73 -1.061 16.108 4.468 615 HD2 ARG 73 1HD ARG 73 0.262 16.867 6.374 616 HD3 ARG 73 2HD ARG 73 0.950 17.433 4.852 617 HE ARG 73 HE ARG 73 0.600 19.576 5.550 618 HH11 ARG 73 2HH1 ARG 73 -1.419 17.447 7.425 619 HH12 ARG 73 1HH1 ARG 73 -1.971 18.696 8.490 620 HH21 ARG 73 2HH2 ARG 73 -0.121 21.229 6.947 621 HH22 ARG 73 1HH2 ARG 73 -1.233 20.847 8.217 622 H ARG 74 H ARG 74 1.180 19.003 1.768 623 HA ARG 74 HA ARG 74 3.232 17.010 2.032 624 HB2 ARG 74 1HB ARG 74 3.158 19.917 1.334 625 HB3 ARG 74 2HB ARG 74 4.691 19.191 1.799 626 HG2 ARG 74 1HG ARG 74 4.430 17.531 0.008 627 HG3 ARG 74 2HG ARG 74 2.922 18.312 -0.473 628 HD2 ARG 74 1HD ARG 74 5.436 19.916 -0.280 629 HD3 ARG 74 2HD ARG 74 5.152 18.901 -1.693 630 HE ARG 74 HE ARG 74 3.778 21.343 -0.996 631 HH11 ARG 74 2HH1 ARG 74 3.716 18.415 -2.879 632 HH12 ARG 74 1HH1 ARG 74 2.608 19.041 -4.055 633 HH21 ARG 74 2HH2 ARG 74 2.319 22.178 -2.538 634 HH22 ARG 74 1HH2 ARG 74 1.815 21.181 -3.861 635 H ASN 75 H ASN 75 2.976 16.360 4.221 636 HA ASN 75 HA ASN 75 3.173 18.170 6.397 637 HB2 ASN 75 1HB ASN 75 2.262 15.740 6.349 638 HB3 ASN 75 2HB ASN 75 3.944 15.270 6.579 639 HD21 ASN 75 1HD2 ASN 75 1.461 17.407 7.920 640 HD22 ASN 75 2HD2 ASN 75 1.949 17.225 9.567 641 H ASP 76 H ASP 76 4.958 17.924 8.073 642 HA ASP 76 HA ASP 76 7.582 17.750 6.745 643 HB2 ASP 76 1HB ASP 76 6.915 20.107 7.157 644 HB3 ASP 76 2HB ASP 76 6.794 19.746 8.877 645 HA PRO 77 HA PRO 77 7.657 14.792 10.236 646 HB2 PRO 77 1HB PRO 77 9.397 13.095 9.026 647 HB3 PRO 77 2HB PRO 77 7.655 13.058 8.728 648 HG2 PRO 77 1HG PRO 77 9.830 14.305 7.093 649 HG3 PRO 77 2HG PRO 77 8.432 13.356 6.557 650 HD2 PRO 77 1HD PRO 77 8.493 16.060 6.429 651 HD3 PRO 77 2HD PRO 77 6.995 15.151 6.714 652 H SER 78 H SER 78 8.895 15.362 11.901 653 HA SER 78 HA SER 78 11.358 16.754 11.602 654 HB2 SER 78 1HB SER 78 11.388 16.913 13.954 655 HB3 SER 78 2HB SER 78 9.672 16.895 13.546 656 HG SER 78 HG SER 78 9.537 14.797 14.207 657 H GLY 79 H GLY 79 13.340 15.971 11.333 658 HA2 GLY 79 1HA GLY 79 13.882 13.202 12.198 659 HA3 GLY 79 2HA GLY 79 14.364 13.757 10.602 660 HA PRO 80 HA PRO 80 17.466 14.864 14.127 661 HB2 PRO 80 1HB PRO 80 18.970 12.608 14.263 662 HB3 PRO 80 2HB PRO 80 17.567 12.892 15.301 663 HG2 PRO 80 1HG PRO 80 17.773 11.262 12.798 664 HG3 PRO 80 2HG PRO 80 16.944 10.878 14.318 665 HD2 PRO 80 1HD PRO 80 15.631 11.790 12.133 666 HD3 PRO 80 2HD PRO 80 15.107 12.164 13.787 667 H SER 81 H SER 81 19.958 14.696 13.861 668 HA SER 81 HA SER 81 20.595 14.791 10.984 669 HB2 SER 81 1HB SER 81 20.548 16.992 12.418 670 HB3 SER 81 2HB SER 81 22.117 16.422 12.986 671 HG SER 81 HG SER 81 22.133 17.816 11.075 672 H SER 82 H SER 82 21.872 14.177 14.230 673 HA SER 82 HA SER 82 23.464 11.993 13.257 674 HB2 SER 82 1HB SER 82 24.933 13.907 12.721 675 HB3 SER 82 2HB SER 82 24.882 14.409 14.411 676 HG SER 82 HG SER 82 26.038 12.079 13.300 677 H GLY 83 H GLY 83 24.444 10.759 14.978 678 HA2 GLY 83 1HA GLY 83 22.972 11.103 17.492 679 HA3 GLY 83 2HA GLY 83 23.751 9.624 16.947 Start of MODEL 19 1 H1 GLY 1 H GLY 1 6.060 -24.753 -15.757 2 HA2 GLY 1 1HA GLY 1 4.163 -26.672 -16.181 3 HA3 GLY 1 2HA GLY 1 4.546 -26.830 -14.473 4 H SER 2 H SER 2 2.257 -25.684 -16.317 5 HA SER 2 HA SER 2 1.847 -23.253 -14.699 6 HB2 SER 2 1HB SER 2 1.331 -23.808 -17.590 7 HB3 SER 2 2HB SER 2 0.239 -22.716 -16.738 8 HG SER 2 HG SER 2 2.735 -22.260 -17.644 9 H SER 3 H SER 3 -0.389 -22.734 -14.196 10 HA SER 3 HA SER 3 -2.393 -24.785 -14.503 11 HB2 SER 3 1HB SER 3 -1.036 -24.287 -11.868 12 HB3 SER 3 2HB SER 3 -2.716 -24.819 -11.921 13 HG SER 3 HG SER 3 -1.728 -26.495 -13.452 14 H GLY 4 H GLY 4 -4.438 -24.137 -13.256 15 HA2 GLY 4 1HA GLY 4 -6.133 -22.548 -13.347 16 HA3 GLY 4 2HA GLY 4 -5.101 -21.797 -12.138 17 H SER 5 H SER 5 -5.261 -22.117 -15.687 18 HA SER 5 HA SER 5 -3.800 -19.838 -16.313 19 HB2 SER 5 1HB SER 5 -5.961 -21.336 -17.776 20 HB3 SER 5 2HB SER 5 -5.237 -19.886 -18.470 21 HG SER 5 HG SER 5 -4.257 -22.390 -18.371 22 H SER 6 H SER 6 -7.272 -20.200 -15.726 23 HA SER 6 HA SER 6 -7.519 -17.512 -14.821 24 HB2 SER 6 1HB SER 6 -7.499 -17.470 -17.459 25 HB3 SER 6 2HB SER 6 -9.171 -17.997 -17.270 26 HG SER 6 HG SER 6 -8.126 -15.542 -16.955 27 H GLY 7 H GLY 7 -9.886 -16.961 -14.411 28 HA2 GLY 7 1HA GLY 7 -12.149 -17.919 -14.214 29 HA3 GLY 7 2HA GLY 7 -11.374 -19.438 -13.791 30 H LYS 8 H LYS 8 -11.920 -16.123 -12.705 31 HA LYS 8 HA LYS 8 -12.091 -17.075 -9.965 32 HB2 LYS 8 1HB LYS 8 -10.190 -14.851 -10.727 33 HB3 LYS 8 2HB LYS 8 -10.527 -15.414 -9.095 34 HG2 LYS 8 1HG LYS 8 -9.355 -17.175 -11.231 35 HG3 LYS 8 2HG LYS 8 -8.379 -16.223 -10.110 36 HD2 LYS 8 1HD LYS 8 -9.357 -17.390 -8.222 37 HD3 LYS 8 2HD LYS 8 -10.424 -18.291 -9.302 38 HE2 LYS 8 1HE LYS 8 -8.644 -19.520 -10.211 39 HE3 LYS 8 2HE LYS 8 -7.437 -18.399 -9.584 40 HZ1 LYS 8 1HZ LYS 8 -8.486 -19.182 -7.313 41 HZ2 LYS 8 2HZ LYS 8 -7.243 -20.050 -8.064 42 HZ3 LYS 8 3HZ LYS 8 -8.847 -20.563 -8.222 43 H LYS 9 H LYS 9 -14.011 -16.341 -9.354 44 HA LYS 9 HA LYS 9 -14.746 -13.576 -10.068 45 HB2 LYS 9 1HB LYS 9 -17.151 -14.476 -9.765 46 HB3 LYS 9 2HB LYS 9 -16.291 -14.863 -11.249 47 HG2 LYS 9 1HG LYS 9 -15.698 -17.059 -10.296 48 HG3 LYS 9 2HG LYS 9 -16.655 -16.667 -8.866 49 HD2 LYS 9 1HD LYS 9 -17.790 -16.656 -11.656 50 HD3 LYS 9 2HD LYS 9 -17.805 -18.083 -10.617 51 HE2 LYS 9 1HE LYS 9 -19.080 -16.854 -8.938 52 HE3 LYS 9 2HE LYS 9 -19.040 -15.411 -9.950 53 HZ1 LYS 9 1HZ LYS 9 -20.184 -16.828 -11.683 54 HZ2 LYS 9 2HZ LYS 9 -21.112 -16.394 -10.337 55 HZ3 LYS 9 3HZ LYS 9 -20.468 -17.954 -10.452 56 H ARG 10 H ARG 10 -13.408 -13.386 -7.958 57 HA ARG 10 HA ARG 10 -15.225 -13.663 -5.654 58 HB2 ARG 10 1HB ARG 10 -12.270 -13.947 -5.930 59 HB3 ARG 10 2HB ARG 10 -12.901 -13.304 -4.420 60 HG2 ARG 10 1HG ARG 10 -12.805 -15.539 -3.943 61 HG3 ARG 10 2HG ARG 10 -14.465 -15.393 -4.524 62 HD2 ARG 10 1HD ARG 10 -13.559 -16.007 -6.814 63 HD3 ARG 10 2HD ARG 10 -12.062 -16.447 -5.993 64 HE ARG 10 HE ARG 10 -14.458 -17.689 -4.951 65 HH11 ARG 10 2HH1 ARG 10 -11.762 -17.931 -7.141 66 HH12 ARG 10 1HH1 ARG 10 -11.839 -19.658 -7.251 67 HH21 ARG 10 2HH2 ARG 10 -14.569 -19.963 -5.088 68 HH22 ARG 10 1HH2 ARG 10 -13.436 -20.813 -6.084 69 H LYS 11 H LYS 11 -14.582 -11.990 -3.874 70 HA LYS 11 HA LYS 11 -13.530 -9.487 -4.616 71 HB2 LYS 11 1HB LYS 11 -15.518 -8.143 -4.819 72 HB3 LYS 11 2HB LYS 11 -15.597 -9.440 -6.005 73 HG2 LYS 11 1HG LYS 11 -16.885 -9.880 -3.366 74 HG3 LYS 11 2HG LYS 11 -17.669 -8.789 -4.511 75 HD2 LYS 11 1HD LYS 11 -16.743 -11.506 -5.374 76 HD3 LYS 11 2HD LYS 11 -18.288 -11.303 -4.544 77 HE2 LYS 11 1HE LYS 11 -17.544 -9.690 -6.969 78 HE3 LYS 11 2HE LYS 11 -18.314 -11.271 -7.095 79 HZ1 LYS 11 1HZ LYS 11 -19.900 -9.409 -7.161 80 HZ2 LYS 11 2HZ LYS 11 -19.439 -8.970 -5.594 81 HZ3 LYS 11 3HZ LYS 11 -20.191 -10.460 -5.868 82 H GLY 12 H GLY 12 -13.353 -8.098 -2.869 83 HA2 GLY 12 1HA GLY 12 -14.860 -8.014 -0.567 84 HA3 GLY 12 2HA GLY 12 -13.687 -9.294 -0.294 85 H ASN 13 H ASN 13 -13.655 -7.172 1.374 86 HA ASN 13 HA ASN 13 -11.401 -5.520 0.449 87 HB2 ASN 13 1HB ASN 13 -13.553 -5.018 2.500 88 HB3 ASN 13 2HB ASN 13 -12.079 -4.056 2.444 89 HD21 ASN 13 1HD2 ASN 13 -11.737 -2.655 0.734 90 HD22 ASN 13 2HD2 ASN 13 -12.999 -2.197 -0.353 91 H LEU 14 H LEU 14 -9.905 -4.834 2.273 92 HA LEU 14 HA LEU 14 -9.385 -7.144 4.027 93 HB2 LEU 14 1HB LEU 14 -7.316 -5.239 2.959 94 HB3 LEU 14 2HB LEU 14 -7.045 -6.761 3.806 95 HG LEU 14 HG LEU 14 -8.433 -6.731 1.152 96 HD11 LEU 14 1HD1 LEU 14 -5.653 -6.024 1.686 97 HD12 LEU 14 2HD1 LEU 14 -6.616 -5.826 0.222 98 HD13 LEU 14 3HD1 LEU 14 -5.839 -7.371 0.563 99 HD21 LEU 14 1HD2 LEU 14 -8.299 -8.940 1.347 100 HD22 LEU 14 2HD2 LEU 14 -7.742 -8.701 3.003 101 HD23 LEU 14 3HD2 LEU 14 -6.571 -8.863 1.694 102 HA PRO 15 HA PRO 15 -9.601 -4.480 7.512 103 HB2 PRO 15 1HB PRO 15 -7.844 -5.699 9.186 104 HB3 PRO 15 2HB PRO 15 -9.434 -6.371 8.807 105 HG2 PRO 15 1HG PRO 15 -6.758 -7.076 7.666 106 HG3 PRO 15 2HG PRO 15 -8.079 -8.149 8.166 107 HD2 PRO 15 1HD PRO 15 -7.627 -7.505 5.575 108 HD3 PRO 15 2HD PRO 15 -9.254 -7.820 6.210 109 H ALA 16 H ALA 16 -8.702 -2.595 8.101 110 HA ALA 16 HA ALA 16 -6.708 -1.288 6.906 111 HB1 ALA 16 1HB ALA 16 -6.692 0.234 8.639 112 HB2 ALA 16 2HB ALA 16 -8.235 -0.582 8.892 113 HB3 ALA 16 3HB ALA 16 -6.838 -1.014 9.878 114 H GLU 17 H GLU 17 -6.085 -2.943 10.010 115 HA GLU 17 HA GLU 17 -3.440 -2.744 10.283 116 HB2 GLU 17 1HB GLU 17 -3.396 -5.037 11.234 117 HB3 GLU 17 2HB GLU 17 -4.742 -4.071 11.820 118 HG2 GLU 17 1HG GLU 17 -6.017 -5.232 9.841 119 HG3 GLU 17 2HG GLU 17 -4.745 -6.439 10.026 120 H SER 18 H SER 18 -4.925 -5.259 8.238 121 HA SER 18 HA SER 18 -2.465 -6.187 7.185 122 HB2 SER 18 1HB SER 18 -5.342 -6.524 6.369 123 HB3 SER 18 2HB SER 18 -4.036 -7.170 5.375 124 HG SER 18 HG SER 18 -4.994 -8.027 7.813 125 H VAL 19 H VAL 19 -4.861 -3.858 6.038 126 HA VAL 19 HA VAL 19 -3.881 -3.409 3.475 127 HB VAL 19 HB VAL 19 -5.197 -1.461 5.371 128 HG11 VAL 19 1HG1 VAL 19 -4.563 -1.227 2.438 129 HG12 VAL 19 2HG1 VAL 19 -5.769 -0.226 3.250 130 HG13 VAL 19 3HG1 VAL 19 -4.077 -0.146 3.744 131 HG21 VAL 19 1HG2 VAL 19 -6.304 -3.677 4.409 132 HG22 VAL 19 2HG2 VAL 19 -7.215 -2.178 4.594 133 HG23 VAL 19 3HG2 VAL 19 -6.572 -2.630 3.015 134 H LYS 20 H LYS 20 -3.108 -1.624 6.463 135 HA LYS 20 HA LYS 20 -1.385 0.262 5.641 136 HB2 LYS 20 1HB LYS 20 -1.718 0.116 7.956 137 HB3 LYS 20 2HB LYS 20 -1.229 -1.573 8.014 138 HG2 LYS 20 1HG LYS 20 0.787 0.438 7.172 139 HG3 LYS 20 2HG LYS 20 0.340 0.359 8.878 140 HD2 LYS 20 1HD LYS 20 0.776 -2.144 8.710 141 HD3 LYS 20 2HD LYS 20 1.542 -1.797 7.158 142 HE2 LYS 20 1HE LYS 20 3.309 -1.794 8.690 143 HE3 LYS 20 2HE LYS 20 2.945 -0.087 8.442 144 HZ1 LYS 20 1HZ LYS 20 3.250 -0.559 10.775 145 HZ2 LYS 20 2HZ LYS 20 2.048 -1.747 10.735 146 HZ3 LYS 20 3HZ LYS 20 1.640 -0.124 10.491 147 H ILE 21 H ILE 21 -0.592 -3.174 5.959 148 HA ILE 21 HA ILE 21 2.140 -2.966 5.318 149 HB ILE 21 HB ILE 21 0.227 -5.272 4.958 150 HG12 ILE 21 1HG1 ILE 21 1.834 -6.039 6.940 151 HG13 ILE 21 2HG1 ILE 21 1.997 -4.299 7.152 152 HG21 ILE 21 1HG2 ILE 21 1.804 -6.421 3.902 153 HG22 ILE 21 2HG2 ILE 21 2.781 -4.955 3.830 154 HG23 ILE 21 3HG2 ILE 21 2.966 -6.072 5.182 155 HD11 ILE 21 1HD1 ILE 21 -0.766 -5.082 6.840 156 HD12 ILE 21 2HD1 ILE 21 0.012 -5.913 8.187 157 HD13 ILE 21 3HD1 ILE 21 0.011 -4.151 8.120 158 H LEU 22 H LEU 22 -0.716 -3.521 3.296 159 HA LEU 22 HA LEU 22 0.784 -3.775 0.874 160 HB2 LEU 22 1HB LEU 22 -2.146 -3.243 1.336 161 HB3 LEU 22 2HB LEU 22 -1.422 -3.614 -0.227 162 HG LEU 22 HG LEU 22 -1.448 -5.478 2.146 163 HD11 LEU 22 1HD1 LEU 22 -3.329 -5.069 -0.118 164 HD12 LEU 22 2HD1 LEU 22 -3.651 -5.528 1.554 165 HD13 LEU 22 3HD1 LEU 22 -3.008 -6.717 0.421 166 HD21 LEU 22 1HD2 LEU 22 -0.786 -6.061 -0.733 167 HD22 LEU 22 2HD2 LEU 22 -0.604 -7.130 0.658 168 HD23 LEU 22 3HD2 LEU 22 0.430 -5.710 0.495 169 H ARG 23 H ARG 23 -1.439 -1.248 2.063 170 HA ARG 23 HA ARG 23 -1.147 0.630 0.110 171 HB2 ARG 23 1HB ARG 23 -1.619 0.797 3.046 172 HB3 ARG 23 2HB ARG 23 -1.253 2.289 2.192 173 HG2 ARG 23 1HG ARG 23 -3.125 1.757 0.625 174 HG3 ARG 23 2HG ARG 23 -3.542 0.408 1.683 175 HD2 ARG 23 1HD ARG 23 -4.925 2.045 2.506 176 HD3 ARG 23 2HD ARG 23 -3.513 2.253 3.540 177 HE ARG 23 HE ARG 23 -3.458 3.887 1.179 178 HH11 ARG 23 2HH1 ARG 23 -4.588 3.645 4.463 179 HH12 ARG 23 1HH1 ARG 23 -4.710 5.359 4.685 180 HH21 ARG 23 2HH2 ARG 23 -3.614 6.145 1.459 181 HH22 ARG 23 1HH2 ARG 23 -4.157 6.780 2.975 182 H ASP 24 H ASP 24 0.958 0.266 2.957 183 HA ASP 24 HA ASP 24 2.707 2.327 2.597 184 HB2 ASP 24 1HB ASP 24 2.681 0.458 4.389 185 HB3 ASP 24 2HB ASP 24 3.744 -0.410 3.285 186 H TRP 25 H TRP 25 2.770 -0.809 0.953 187 HA TRP 25 HA TRP 25 5.130 -0.186 -0.553 188 HB2 TRP 25 1HB TRP 25 4.600 -2.504 -0.022 189 HB3 TRP 25 2HB TRP 25 3.075 -2.381 -0.895 190 HD1 TRP 25 HD TRP 25 6.713 -3.145 -1.390 191 HE1 TRP 25 1HE TRP 25 7.164 -3.658 -3.871 192 HE3 TRP 25 3HE TRP 25 2.241 -1.638 -3.355 193 HZ2 TRP 25 2HZ TRP 25 5.803 -3.452 -6.336 194 HZ3 TRP 25 3HZ TRP 25 1.896 -1.829 -5.784 195 HH2 TRP 25 HH TRP 25 3.641 -2.717 -7.242 196 H MET 26 H MET 26 1.652 -0.158 -1.171 197 HA MET 26 HA MET 26 1.745 0.349 -3.926 198 HB2 MET 26 1HB MET 26 -0.298 -0.323 -2.715 199 HB3 MET 26 2HB MET 26 -0.339 1.251 -1.930 200 HG2 MET 26 1HG MET 26 -0.370 2.164 -4.362 201 HG3 MET 26 2HG MET 26 -0.908 0.535 -4.767 202 HE1 MET 26 1HE MET 26 -4.522 1.256 -4.753 203 HE2 MET 26 2HE MET 26 -3.102 1.353 -5.794 204 HE3 MET 26 3HE MET 26 -3.380 -0.088 -4.815 205 H TYR 27 H TYR 27 2.359 2.387 -1.209 206 HA TYR 27 HA TYR 27 1.943 4.876 -2.568 207 HB2 TYR 27 1HB TYR 27 1.873 4.454 -0.038 208 HB3 TYR 27 2HB TYR 27 3.632 4.490 -0.102 209 HD1 TYR 27 1HD TYR 27 4.472 6.629 -1.631 210 HD2 TYR 27 2HD TYR 27 0.918 6.410 0.698 211 HE1 TYR 27 1HE TYR 27 4.431 9.083 -1.474 212 HE2 TYR 27 2HE TYR 27 0.867 8.864 0.861 213 HH TYR 27 HH TYR 27 2.045 10.849 -0.888 214 H LYS 28 H LYS 28 4.871 3.187 -1.427 215 HA LYS 28 HA LYS 28 6.719 4.907 -2.640 216 HB2 LYS 28 1HB LYS 28 6.965 1.983 -1.917 217 HB3 LYS 28 2HB LYS 28 8.317 2.999 -2.399 218 HG2 LYS 28 1HG LYS 28 8.084 4.364 -0.464 219 HG3 LYS 28 2HG LYS 28 6.554 3.594 -0.036 220 HD2 LYS 28 1HD LYS 28 7.583 1.648 0.678 221 HD3 LYS 28 2HD LYS 28 9.032 1.940 -0.288 222 HE2 LYS 28 1HE LYS 28 9.434 3.944 1.241 223 HE3 LYS 28 2HE LYS 28 8.206 3.240 2.293 224 HZ1 LYS 28 1HZ LYS 28 10.921 2.566 2.090 225 HZ2 LYS 28 2HZ LYS 28 10.011 1.223 1.614 226 HZ3 LYS 28 3HZ LYS 28 9.754 1.923 3.133 227 H HIS 29 H HIS 29 5.046 2.060 -3.853 228 HA HIS 29 HA HIS 29 6.420 2.331 -6.429 229 HB2 HIS 29 1HB HIS 29 4.587 0.129 -5.458 230 HB3 HIS 29 2HB HIS 29 5.504 0.128 -6.962 231 HD1 HIS 29 1HD HIS 29 8.135 -0.072 -6.721 232 HD2 HIS 29 2HD HIS 29 5.968 -0.723 -3.237 233 HE1 HIS 29 1HE HIS 29 9.733 -1.191 -5.135 234 HE2 HIS 29 2HE HIS 29 8.375 -1.652 -3.064 235 H ARG 30 H ARG 30 3.862 3.679 -5.026 236 HA ARG 30 HA ARG 30 1.564 3.361 -6.353 237 HB2 ARG 30 1HB ARG 30 1.020 5.580 -5.899 238 HB3 ARG 30 2HB ARG 30 2.287 5.242 -4.728 239 HG2 ARG 30 1HG ARG 30 3.890 6.238 -6.460 240 HG3 ARG 30 2HG ARG 30 2.437 6.873 -7.234 241 HD2 ARG 30 1HD ARG 30 2.950 8.628 -5.863 242 HD3 ARG 30 2HD ARG 30 1.907 7.698 -4.788 243 HE ARG 30 HE ARG 30 3.723 7.252 -3.456 244 HH11 ARG 30 2HH1 ARG 30 4.803 8.561 -6.496 245 HH12 ARG 30 1HH1 ARG 30 6.445 8.754 -5.979 246 HH21 ARG 30 2HH2 ARG 30 5.882 7.500 -2.763 247 HH22 ARG 30 1HH2 ARG 30 7.058 8.149 -3.856 248 H PHE 31 H PHE 31 4.490 4.737 -7.727 249 HA PHE 31 HA PHE 31 3.702 5.917 -10.022 250 HB2 PHE 31 1HB PHE 31 6.031 4.199 -9.340 251 HB3 PHE 31 2HB PHE 31 5.767 4.557 -11.044 252 HD1 PHE 31 2HD PHE 31 4.992 6.827 -8.240 253 HD2 PHE 31 1HD PHE 31 7.655 5.916 -11.433 254 HE1 PHE 31 2HE PHE 31 6.085 9.011 -7.946 255 HE2 PHE 31 1HE PHE 31 8.754 8.098 -11.143 256 HZ PHE 31 HZ PHE 31 7.969 9.649 -9.399 257 H LYS 32 H LYS 32 3.979 2.412 -9.541 258 HA LYS 32 HA LYS 32 2.391 2.032 -11.994 259 HB2 LYS 32 1HB LYS 32 3.444 -0.145 -12.246 260 HB3 LYS 32 2HB LYS 32 4.672 1.111 -12.155 261 HG2 LYS 32 1HG LYS 32 3.904 -0.237 -9.630 262 HG3 LYS 32 2HG LYS 32 4.856 -1.156 -10.799 263 HD2 LYS 32 1HD LYS 32 5.667 1.615 -9.993 264 HD3 LYS 32 2HD LYS 32 6.092 0.222 -8.996 265 HE2 LYS 32 1HE LYS 32 7.164 -0.811 -10.970 266 HE3 LYS 32 2HE LYS 32 6.806 0.645 -11.897 267 HZ1 LYS 32 1HZ LYS 32 9.036 0.166 -10.349 268 HZ2 LYS 32 2HZ LYS 32 8.131 1.297 -9.476 269 HZ3 LYS 32 3HZ LYS 32 8.593 1.632 -11.069 270 H ALA 33 H ALA 33 2.770 1.246 -8.621 271 HA ALA 33 HA ALA 33 1.464 0.117 -7.128 272 HB1 ALA 33 1HB ALA 33 -0.915 0.731 -8.829 273 HB2 ALA 33 2HB ALA 33 -0.748 0.776 -7.074 274 HB3 ALA 33 3HB ALA 33 -0.015 2.040 -8.062 275 H TYR 34 H TYR 34 2.609 -1.513 -9.144 276 HA TYR 34 HA TYR 34 0.620 -3.672 -9.208 277 HB2 TYR 34 1HB TYR 34 2.371 -2.781 -11.504 278 HB3 TYR 34 2HB TYR 34 1.526 -4.325 -11.468 279 HD1 TYR 34 1HD TYR 34 -1.063 -3.516 -10.276 280 HD2 TYR 34 2HD TYR 34 1.328 -1.612 -13.235 281 HE1 TYR 34 1HE TYR 34 -3.073 -2.440 -11.199 282 HE2 TYR 34 2HE TYR 34 -0.675 -0.529 -14.166 283 HH TYR 34 HH TYR 34 -3.798 -1.478 -13.404 284 HA PRO 35 HA PRO 35 4.386 -5.293 -7.223 285 HB2 PRO 35 1HB PRO 35 3.058 -7.164 -5.772 286 HB3 PRO 35 2HB PRO 35 3.203 -5.478 -5.262 287 HG2 PRO 35 1HG PRO 35 0.918 -6.856 -6.618 288 HG3 PRO 35 2HG PRO 35 0.888 -5.699 -5.274 289 HD2 PRO 35 1HD PRO 35 0.345 -4.981 -7.827 290 HD3 PRO 35 2HD PRO 35 1.120 -3.880 -6.670 291 H SER 36 H SER 36 5.551 -7.161 -7.610 292 HA SER 36 HA SER 36 4.598 -8.785 -9.821 293 HB2 SER 36 1HB SER 36 7.275 -8.769 -8.404 294 HB3 SER 36 2HB SER 36 6.899 -9.670 -9.873 295 HG SER 36 HG SER 36 6.393 -6.928 -9.870 296 H GLU 37 H GLU 37 4.679 -11.105 -9.798 297 HA GLU 37 HA GLU 37 3.255 -12.402 -7.940 298 HB2 GLU 37 1HB GLU 37 5.636 -13.519 -9.428 299 HB3 GLU 37 2HB GLU 37 4.457 -14.503 -8.573 300 HG2 GLU 37 1HG GLU 37 2.726 -13.891 -10.060 301 HG3 GLU 37 2HG GLU 37 3.702 -12.611 -10.778 302 H GLU 38 H GLU 38 6.594 -11.469 -7.610 303 HA GLU 38 HA GLU 38 7.057 -13.056 -5.252 304 HB2 GLU 38 1HB GLU 38 8.617 -11.043 -6.812 305 HB3 GLU 38 2HB GLU 38 9.107 -11.390 -5.159 306 HG2 GLU 38 1HG GLU 38 9.576 -13.633 -5.650 307 HG3 GLU 38 2HG GLU 38 8.702 -13.567 -7.180 308 H GLU 39 H GLU 39 6.631 -9.589 -5.928 309 HA GLU 39 HA GLU 39 6.840 -8.609 -3.352 310 HB2 GLU 39 1HB GLU 39 4.986 -7.638 -5.534 311 HB3 GLU 39 2HB GLU 39 5.464 -6.717 -4.115 312 HG2 GLU 39 1HG GLU 39 7.246 -7.639 -6.354 313 HG3 GLU 39 2HG GLU 39 6.742 -5.987 -6.006 314 H LYS 40 H LYS 40 3.891 -9.684 -5.030 315 HA LYS 40 HA LYS 40 2.081 -9.245 -2.965 316 HB2 LYS 40 1HB LYS 40 1.712 -11.661 -4.662 317 HB3 LYS 40 2HB LYS 40 0.560 -10.402 -4.235 318 HG2 LYS 40 1HG LYS 40 2.006 -8.891 -5.750 319 HG3 LYS 40 2HG LYS 40 2.632 -10.412 -6.389 320 HD2 LYS 40 1HD LYS 40 0.282 -11.110 -6.841 321 HD3 LYS 40 2HD LYS 40 -0.242 -9.496 -6.355 322 HE2 LYS 40 1HE LYS 40 0.888 -8.483 -8.168 323 HE3 LYS 40 2HE LYS 40 1.786 -9.956 -8.528 324 HZ1 LYS 40 1HZ LYS 40 0.114 -9.873 -10.127 325 HZ2 LYS 40 2HZ LYS 40 -1.070 -9.382 -9.023 326 HZ3 LYS 40 3HZ LYS 40 -0.485 -10.969 -8.986 327 H GLN 41 H GLN 41 3.390 -12.440 -3.867 328 HA GLN 41 HA GLN 41 2.559 -13.908 -1.735 329 HB2 GLN 41 1HB GLN 41 4.031 -14.549 -3.799 330 HB3 GLN 41 2HB GLN 41 5.374 -14.269 -2.698 331 HG2 GLN 41 1HG GLN 41 4.544 -16.648 -2.914 332 HG3 GLN 41 2HG GLN 41 4.726 -16.012 -1.280 333 HE21 GLN 41 1HE2 GLN 41 2.846 -15.419 -0.117 334 HE22 GLN 41 2HE2 GLN 41 1.309 -16.102 -0.509 335 H MET 42 H MET 42 5.220 -11.623 -1.812 336 HA MET 42 HA MET 42 6.352 -12.323 0.689 337 HB2 MET 42 1HB MET 42 7.790 -11.084 -0.646 338 HB3 MET 42 2HB MET 42 6.534 -9.950 -1.125 339 HG2 MET 42 1HG MET 42 6.552 -9.072 1.214 340 HG3 MET 42 2HG MET 42 7.958 -10.089 1.517 341 HE1 MET 42 1HE MET 42 6.463 -7.006 -0.018 342 HE2 MET 42 2HE MET 42 7.750 -6.251 -0.957 343 HE3 MET 42 3HE MET 42 6.911 -7.667 -1.590 344 H LEU 43 H LEU 43 4.103 -9.734 -0.265 345 HA LEU 43 HA LEU 43 3.755 -8.700 2.342 346 HB2 LEU 43 1HB LEU 43 1.784 -8.560 0.070 347 HB3 LEU 43 2HB LEU 43 1.917 -7.459 1.440 348 HG LEU 43 HG LEU 43 4.220 -7.724 -0.440 349 HD11 LEU 43 1HD1 LEU 43 3.140 -6.909 -2.192 350 HD12 LEU 43 2HD1 LEU 43 2.570 -5.544 -1.232 351 HD13 LEU 43 3HD1 LEU 43 1.621 -7.029 -1.302 352 HD21 LEU 43 1HD2 LEU 43 4.053 -5.143 0.154 353 HD22 LEU 43 2HD2 LEU 43 4.832 -6.304 1.230 354 HD23 LEU 43 3HD2 LEU 43 3.177 -5.781 1.546 355 H SER 44 H SER 44 1.954 -11.085 0.450 356 HA SER 44 HA SER 44 -0.267 -11.465 2.009 357 HB2 SER 44 1HB SER 44 -0.357 -12.797 0.146 358 HB3 SER 44 2HB SER 44 1.348 -13.237 0.247 359 HG SER 44 HG SER 44 -0.659 -14.178 2.019 360 H GLU 45 H GLU 45 3.010 -12.199 2.779 361 HA GLU 45 HA GLU 45 2.478 -14.122 4.825 362 HB2 GLU 45 1HB GLU 45 4.900 -12.448 4.168 363 HB3 GLU 45 2HB GLU 45 4.865 -13.588 5.506 364 HG2 GLU 45 1HG GLU 45 4.300 -15.379 3.865 365 HG3 GLU 45 2HG GLU 45 4.568 -14.204 2.578 366 H LYS 46 H LYS 46 3.185 -10.646 4.806 367 HA LYS 46 HA LYS 46 3.000 -10.394 7.653 368 HB2 LYS 46 1HB LYS 46 3.144 -8.417 5.387 369 HB3 LYS 46 2HB LYS 46 2.901 -7.895 7.049 370 HG2 LYS 46 1HG LYS 46 5.186 -7.712 6.778 371 HG3 LYS 46 2HG LYS 46 5.014 -9.288 7.554 372 HD2 LYS 46 1HD LYS 46 5.319 -10.427 5.484 373 HD3 LYS 46 2HD LYS 46 5.201 -8.922 4.569 374 HE2 LYS 46 1HE LYS 46 7.500 -9.456 4.657 375 HE3 LYS 46 2HE LYS 46 7.258 -8.152 5.818 376 HZ1 LYS 46 1HZ LYS 46 7.347 -11.028 6.543 377 HZ2 LYS 46 2HZ LYS 46 7.302 -9.713 7.606 378 HZ3 LYS 46 3HZ LYS 46 8.672 -9.981 6.650 379 H THR 47 H THR 47 0.822 -9.933 4.936 380 HA THR 47 HA THR 47 -1.287 -8.925 6.678 381 HB THR 47 HB THR 47 -2.588 -8.569 4.675 382 HG1 THR 47 1HG THR 47 -0.690 -10.301 3.576 383 HG21 THR 47 1HG2 THR 47 0.297 -7.733 4.421 384 HG22 THR 47 2HG2 THR 47 -1.046 -6.805 5.090 385 HG23 THR 47 3HG2 THR 47 -0.977 -7.136 3.359 386 H ASN 48 H ASN 48 -0.186 -11.887 5.413 387 HA ASN 48 HA ASN 48 -0.977 -14.017 5.511 388 HB2 ASN 48 1HB ASN 48 -2.630 -12.649 7.606 389 HB3 ASN 48 2HB ASN 48 -2.976 -14.321 7.175 390 HD21 ASN 48 1HD2 ASN 48 -1.904 -13.049 9.641 391 HD22 ASN 48 2HD2 ASN 48 -0.440 -13.902 9.981 392 H LEU 49 H LEU 49 -1.925 -12.317 3.439 393 HA LEU 49 HA LEU 49 -4.694 -13.231 3.064 394 HB2 LEU 49 1HB LEU 49 -3.201 -11.172 1.453 395 HB3 LEU 49 2HB LEU 49 -4.929 -11.513 1.413 396 HG LEU 49 HG LEU 49 -3.538 -10.431 3.853 397 HD11 LEU 49 1HD1 LEU 49 -4.731 -8.268 3.031 398 HD12 LEU 49 2HD1 LEU 49 -4.593 -9.022 1.443 399 HD13 LEU 49 3HD1 LEU 49 -3.144 -8.695 2.393 400 HD21 LEU 49 1HD2 LEU 49 -5.756 -9.829 4.552 401 HD22 LEU 49 2HD2 LEU 49 -5.742 -11.541 4.126 402 HD23 LEU 49 3HD2 LEU 49 -6.432 -10.360 3.012 403 H SER 50 H SER 50 -5.035 -13.294 0.438 404 HA SER 50 HA SER 50 -3.125 -15.342 -0.474 405 HB2 SER 50 1HB SER 50 -6.083 -15.006 -0.899 406 HB3 SER 50 2HB SER 50 -5.119 -15.969 -2.018 407 HG SER 50 HG SER 50 -4.358 -17.034 0.030 408 H LEU 51 H LEU 51 -2.118 -15.124 -2.398 409 HA LEU 51 HA LEU 51 -1.504 -12.811 -3.577 410 HB2 LEU 51 1HB LEU 51 -2.077 -15.327 -5.135 411 HB3 LEU 51 2HB LEU 51 -1.043 -13.996 -5.648 412 HG LEU 51 HG LEU 51 -0.506 -15.834 -3.315 413 HD11 LEU 51 1HD1 LEU 51 0.560 -17.204 -4.700 414 HD12 LEU 51 2HD1 LEU 51 1.405 -15.867 -5.480 415 HD13 LEU 51 3HD1 LEU 51 -0.204 -16.334 -6.031 416 HD21 LEU 51 1HD2 LEU 51 0.763 -14.114 -2.643 417 HD22 LEU 51 2HD2 LEU 51 0.666 -13.303 -4.207 418 HD23 LEU 51 3HD2 LEU 51 1.838 -14.598 -3.955 419 H LEU 52 H LEU 52 -4.444 -14.649 -4.234 420 HA LEU 52 HA LEU 52 -5.394 -13.086 -6.370 421 HB2 LEU 52 1HB LEU 52 -6.402 -15.180 -6.054 422 HB3 LEU 52 2HB LEU 52 -6.735 -14.857 -4.354 423 HG LEU 52 HG LEU 52 -8.386 -13.105 -5.154 424 HD11 LEU 52 1HD1 LEU 52 -7.973 -12.643 -7.352 425 HD12 LEU 52 2HD1 LEU 52 -9.245 -13.852 -7.528 426 HD13 LEU 52 3HD1 LEU 52 -7.556 -14.312 -7.742 427 HD21 LEU 52 1HD2 LEU 52 -9.277 -15.749 -6.166 428 HD22 LEU 52 2HD2 LEU 52 -10.072 -14.632 -5.056 429 HD23 LEU 52 3HD2 LEU 52 -8.746 -15.648 -4.487 430 H GLN 53 H GLN 53 -5.998 -12.886 -2.877 431 HA GLN 53 HA GLN 53 -7.782 -10.702 -3.006 432 HB2 GLN 53 1HB GLN 53 -6.049 -11.791 -0.794 433 HB3 GLN 53 2HB GLN 53 -7.114 -10.412 -0.560 434 HG2 GLN 53 1HG GLN 53 -9.045 -11.730 -1.021 435 HG3 GLN 53 2HG GLN 53 -8.055 -13.099 -1.524 436 HE21 GLN 53 1HE2 GLN 53 -8.216 -10.923 1.280 437 HE22 GLN 53 2HE2 GLN 53 -8.177 -12.176 2.468 438 H ILE 54 H ILE 54 -4.279 -10.903 -2.592 439 HA ILE 54 HA ILE 54 -3.684 -8.284 -1.962 440 HB ILE 54 HB ILE 54 -2.127 -10.154 -3.750 441 HG12 ILE 54 1HG1 ILE 54 -2.410 -11.111 -1.570 442 HG13 ILE 54 2HG1 ILE 54 -0.772 -10.470 -1.652 443 HG21 ILE 54 1HG2 ILE 54 -1.535 -7.736 -4.003 444 HG22 ILE 54 2HG2 ILE 54 -1.101 -7.726 -2.295 445 HG23 ILE 54 3HG2 ILE 54 -0.221 -8.758 -3.422 446 HD11 ILE 54 1HD1 ILE 54 -1.445 -9.766 0.420 447 HD12 ILE 54 2HD1 ILE 54 -1.854 -8.363 -0.567 448 HD13 ILE 54 3HD1 ILE 54 -3.112 -9.502 -0.090 449 H SER 55 H SER 55 -3.357 -9.575 -5.270 450 HA SER 55 HA SER 55 -3.204 -7.114 -6.550 451 HB2 SER 55 1HB SER 55 -2.645 -9.308 -7.592 452 HB3 SER 55 2HB SER 55 -4.369 -9.661 -7.701 453 HG SER 55 HG SER 55 -2.807 -7.957 -9.215 454 H ASN 56 H ASN 56 -6.056 -9.186 -6.062 455 HA ASN 56 HA ASN 56 -7.972 -7.730 -7.368 456 HB2 ASN 56 1HB ASN 56 -8.068 -9.390 -4.868 457 HB3 ASN 56 2HB ASN 56 -9.513 -8.553 -5.429 458 HD21 ASN 56 1HD2 ASN 56 -9.798 -11.129 -5.308 459 HD22 ASN 56 2HD2 ASN 56 -9.701 -11.885 -6.858 460 H TRP 57 H TRP 57 -6.559 -7.095 -4.209 461 HA TRP 57 HA TRP 57 -8.354 -4.986 -3.525 462 HB2 TRP 57 1HB TRP 57 -7.270 -6.045 -1.709 463 HB3 TRP 57 2HB TRP 57 -5.682 -5.869 -2.450 464 HD1 TRP 57 HD TRP 57 -8.335 -3.848 -0.551 465 HE1 TRP 57 1HE TRP 57 -7.223 -1.728 0.395 466 HE3 TRP 57 3HE TRP 57 -3.754 -4.271 -2.780 467 HZ2 TRP 57 2HZ TRP 57 -4.734 -0.410 0.219 468 HZ3 TRP 57 3HZ TRP 57 -2.064 -2.538 -2.340 469 HH2 TRP 57 HH TRP 57 -2.545 -0.648 -0.871 470 H PHE 58 H PHE 58 -5.120 -5.121 -4.953 471 HA PHE 58 HA PHE 58 -4.556 -2.390 -4.979 472 HB2 PHE 58 1HB PHE 58 -3.635 -4.748 -6.547 473 HB3 PHE 58 2HB PHE 58 -3.263 -3.151 -7.188 474 HD1 PHE 58 2HD PHE 58 -1.881 -1.583 -5.864 475 HD2 PHE 58 1HD PHE 58 -2.502 -5.618 -4.660 476 HE1 PHE 58 2HE PHE 58 0.047 -1.422 -4.344 477 HE2 PHE 58 1HE PHE 58 -0.575 -5.463 -3.137 478 HZ PHE 58 HZ PHE 58 0.703 -3.364 -2.979 479 H ILE 59 H ILE 59 -6.455 -4.361 -7.185 480 HA ILE 59 HA ILE 59 -6.730 -2.559 -9.297 481 HB ILE 59 HB ILE 59 -8.723 -4.591 -8.287 482 HG12 ILE 59 1HG1 ILE 59 -6.734 -4.774 -10.559 483 HG13 ILE 59 2HG1 ILE 59 -6.478 -5.463 -8.959 484 HG21 ILE 59 1HG2 ILE 59 -8.774 -2.713 -10.558 485 HG22 ILE 59 2HG2 ILE 59 -9.244 -4.373 -10.917 486 HG23 ILE 59 3HG2 ILE 59 -10.102 -3.465 -9.673 487 HD11 ILE 59 1HD1 ILE 59 -7.759 -7.234 -9.396 488 HD12 ILE 59 2HD1 ILE 59 -8.992 -6.265 -10.205 489 HD13 ILE 59 3HD1 ILE 59 -7.551 -6.772 -11.085 490 H ASN 60 H ASN 60 -9.298 -3.234 -6.919 491 HA ASN 60 HA ASN 60 -10.758 -0.905 -7.467 492 HB2 ASN 60 1HB ASN 60 -10.848 -2.187 -4.758 493 HB3 ASN 60 2HB ASN 60 -12.168 -1.540 -5.728 494 HD21 ASN 60 1HD2 ASN 60 -12.721 -2.740 -7.693 495 HD22 ASN 60 2HD2 ASN 60 -12.576 -4.461 -7.675 496 H ALA 61 H ALA 61 -8.205 -1.565 -5.138 497 HA ALA 61 HA ALA 61 -8.442 0.789 -3.614 498 HB1 ALA 61 1HB ALA 61 -7.163 -1.010 -2.735 499 HB2 ALA 61 2HB ALA 61 -6.092 -1.018 -4.137 500 HB3 ALA 61 3HB ALA 61 -6.050 0.331 -3.002 501 H ARG 62 H ARG 62 -6.612 0.049 -6.548 502 HA ARG 62 HA ARG 62 -5.203 2.498 -6.671 503 HB2 ARG 62 1HB ARG 62 -5.839 0.334 -8.644 504 HB3 ARG 62 2HB ARG 62 -5.113 1.836 -9.200 505 HG2 ARG 62 1HG ARG 62 -3.199 1.495 -7.782 506 HG3 ARG 62 2HG ARG 62 -3.944 0.063 -7.068 507 HD2 ARG 62 1HD ARG 62 -2.344 -0.655 -8.698 508 HD3 ARG 62 2HD ARG 62 -3.959 -0.976 -9.329 509 HE ARG 62 HE ARG 62 -2.037 0.950 -10.338 510 HH11 ARG 62 2HH1 ARG 62 -5.314 -0.227 -10.369 511 HH12 ARG 62 1HH1 ARG 62 -5.695 0.490 -11.900 512 HH21 ARG 62 2HH2 ARG 62 -2.527 1.898 -12.354 513 HH22 ARG 62 1HH2 ARG 62 -4.108 1.698 -13.028 514 H ARG 63 H ARG 63 -8.435 2.002 -6.822 515 HA ARG 63 HA ARG 63 -8.913 4.128 -8.791 516 HB2 ARG 63 1HB ARG 63 -10.542 1.861 -7.748 517 HB3 ARG 63 2HB ARG 63 -11.388 3.321 -8.245 518 HG2 ARG 63 1HG ARG 63 -11.360 1.836 -10.096 519 HG3 ARG 63 2HG ARG 63 -10.231 3.146 -10.451 520 HD2 ARG 63 1HD ARG 63 -8.439 1.581 -9.474 521 HD3 ARG 63 2HD ARG 63 -9.643 0.309 -9.674 522 HE ARG 63 HE ARG 63 -8.162 1.650 -11.757 523 HH11 ARG 63 2HH1 ARG 63 -10.960 -0.264 -10.964 524 HH12 ARG 63 1HH1 ARG 63 -11.158 -0.878 -12.572 525 HH21 ARG 63 2HH2 ARG 63 -8.412 0.848 -13.878 526 HH22 ARG 63 1HH2 ARG 63 -9.707 -0.245 -14.228 527 H ARG 64 H ARG 64 -9.093 3.354 -5.422 528 HA ARG 64 HA ARG 64 -10.187 6.038 -4.899 529 HB2 ARG 64 1HB ARG 64 -11.656 3.906 -4.388 530 HB3 ARG 64 2HB ARG 64 -10.641 3.815 -2.955 531 HG2 ARG 64 1HG ARG 64 -12.538 5.009 -2.290 532 HG3 ARG 64 2HG ARG 64 -11.288 6.232 -2.527 533 HD2 ARG 64 1HD ARG 64 -13.322 7.033 -3.505 534 HD3 ARG 64 2HD ARG 64 -12.201 6.633 -4.806 535 HE ARG 64 HE ARG 64 -13.657 5.016 -5.513 536 HH11 ARG 64 2HH1 ARG 64 -14.499 5.968 -2.272 537 HH12 ARG 64 1HH1 ARG 64 -15.971 5.054 -2.246 538 HH21 ARG 64 2HH2 ARG 64 -15.592 3.809 -5.492 539 HH22 ARG 64 1HH2 ARG 64 -16.592 3.826 -4.078 540 H ILE 65 H ILE 65 -8.214 3.374 -3.646 541 HA ILE 65 HA ILE 65 -7.090 4.863 -1.502 542 HB ILE 65 HB ILE 65 -6.194 2.327 -2.864 543 HG12 ILE 65 1HG1 ILE 65 -7.400 2.820 -0.134 544 HG13 ILE 65 2HG1 ILE 65 -8.295 2.252 -1.539 545 HG21 ILE 65 1HG2 ILE 65 -5.060 3.549 -0.353 546 HG22 ILE 65 2HG2 ILE 65 -4.575 2.028 -1.101 547 HG23 ILE 65 3HG2 ILE 65 -4.265 3.555 -1.927 548 HD11 ILE 65 1HD1 ILE 65 -7.058 0.696 0.375 549 HD12 ILE 65 2HD1 ILE 65 -7.661 0.156 -1.192 550 HD13 ILE 65 3HD1 ILE 65 -5.969 0.618 -1.010 551 H LEU 66 H LEU 66 -5.672 3.779 -4.593 552 HA LEU 66 HA LEU 66 -3.232 5.010 -4.448 553 HB2 LEU 66 1HB LEU 66 -3.593 3.618 -6.283 554 HB3 LEU 66 2HB LEU 66 -5.062 4.470 -6.756 555 HG LEU 66 HG LEU 66 -3.808 6.286 -7.661 556 HD11 LEU 66 1HD1 LEU 66 -1.124 5.286 -7.343 557 HD12 LEU 66 2HD1 LEU 66 -1.885 5.573 -5.779 558 HD13 LEU 66 3HD1 LEU 66 -1.786 6.876 -6.963 559 HD21 LEU 66 1HD2 LEU 66 -2.148 4.011 -8.608 560 HD22 LEU 66 2HD2 LEU 66 -3.008 5.247 -9.527 561 HD23 LEU 66 3HD2 LEU 66 -3.897 3.904 -8.808 562 HA PRO 67 HA PRO 67 -5.138 9.058 -6.306 563 HB2 PRO 67 1HB PRO 67 -7.841 9.292 -6.197 564 HB3 PRO 67 2HB PRO 67 -6.993 8.581 -7.575 565 HG2 PRO 67 1HG PRO 67 -8.368 7.220 -5.291 566 HG3 PRO 67 2HG PRO 67 -8.407 6.821 -7.018 567 HD2 PRO 67 1HD PRO 67 -6.850 5.487 -5.249 568 HD3 PRO 67 2HD PRO 67 -6.375 5.736 -6.942 569 H ASP 68 H ASP 68 -5.579 7.566 -3.411 570 HA ASP 68 HA ASP 68 -6.690 9.895 -2.034 571 HB2 ASP 68 1HB ASP 68 -7.489 7.567 -1.502 572 HB3 ASP 68 2HB ASP 68 -5.889 7.236 -0.841 573 H MET 69 H MET 69 -3.866 7.735 -1.738 574 HA MET 69 HA MET 69 -2.485 9.439 0.064 575 HB2 MET 69 1HB MET 69 -0.566 7.977 -0.327 576 HB3 MET 69 2HB MET 69 -2.028 7.033 -0.074 577 HG2 MET 69 1HG MET 69 -2.225 6.826 -2.554 578 HG3 MET 69 2HG MET 69 -0.642 7.589 -2.682 579 HE1 MET 69 1HE MET 69 -1.580 3.497 -0.851 580 HE2 MET 69 2HE MET 69 -2.608 4.929 -0.841 581 HE3 MET 69 3HE MET 69 -2.375 4.021 -2.335 582 H LEU 70 H LEU 70 -2.519 9.101 -3.429 583 HA LEU 70 HA LEU 70 -0.234 10.564 -4.070 584 HB2 LEU 70 1HB LEU 70 -2.751 9.850 -5.445 585 HB3 LEU 70 2HB LEU 70 -1.841 11.198 -6.123 586 HG LEU 70 HG LEU 70 -1.432 8.893 -7.118 587 HD11 LEU 70 1HD1 LEU 70 1.068 9.289 -7.175 588 HD12 LEU 70 2HD1 LEU 70 0.780 10.645 -6.086 589 HD13 LEU 70 3HD1 LEU 70 0.049 10.632 -7.691 590 HD21 LEU 70 1HD2 LEU 70 -1.327 7.582 -5.109 591 HD22 LEU 70 2HD2 LEU 70 -0.003 8.565 -4.483 592 HD23 LEU 70 3HD2 LEU 70 0.252 7.536 -5.894 593 H GLN 71 H GLN 71 -3.600 11.713 -3.826 594 HA GLN 71 HA GLN 71 -3.444 14.315 -4.415 595 HB2 GLN 71 1HB GLN 71 -4.848 12.966 -2.130 596 HB3 GLN 71 2HB GLN 71 -4.977 14.706 -2.353 597 HG2 GLN 71 1HG GLN 71 -5.869 14.348 -4.602 598 HG3 GLN 71 2HG GLN 71 -5.757 12.605 -4.362 599 HE21 GLN 71 1HE2 GLN 71 -8.141 13.530 -5.035 600 HE22 GLN 71 2HE2 GLN 71 -9.225 13.539 -3.690 601 H GLN 72 H GLN 72 -2.505 16.147 -3.708 602 HA GLN 72 HA GLN 72 -0.196 16.318 -2.386 603 HB2 GLN 72 1HB GLN 72 -2.461 18.299 -2.103 604 HB3 GLN 72 2HB GLN 72 -0.777 18.633 -1.725 605 HG2 GLN 72 1HG GLN 72 -0.219 18.119 -4.099 606 HG3 GLN 72 2HG GLN 72 -1.948 18.007 -4.422 607 HE21 GLN 72 1HE2 GLN 72 -3.118 20.013 -3.306 608 HE22 GLN 72 2HE2 GLN 72 -2.456 21.538 -3.778 609 H ARG 73 H ARG 73 0.609 16.139 -0.377 610 HA ARG 73 HA ARG 73 -1.312 15.729 1.821 611 HB2 ARG 73 1HB ARG 73 1.241 14.332 1.123 612 HB3 ARG 73 2HB ARG 73 0.750 14.433 2.808 613 HG2 ARG 73 1HG ARG 73 -1.055 13.363 0.660 614 HG3 ARG 73 2HG ARG 73 0.076 12.347 1.557 615 HD2 ARG 73 1HD ARG 73 -1.895 14.113 2.968 616 HD3 ARG 73 2HD ARG 73 -2.353 12.511 2.390 617 HE ARG 73 HE ARG 73 -0.074 12.086 3.825 618 HH11 ARG 73 2HH1 ARG 73 -3.151 13.574 4.489 619 HH12 ARG 73 1HH1 ARG 73 -3.133 13.165 6.173 620 HH21 ARG 73 2HH2 ARG 73 -0.039 11.541 6.040 621 HH22 ARG 73 1HH2 ARG 73 -1.362 12.010 7.054 622 H ARG 74 H ARG 74 -0.178 16.060 4.028 623 HA ARG 74 HA ARG 74 0.360 18.708 4.428 624 HB2 ARG 74 1HB ARG 74 -0.116 17.236 6.281 625 HB3 ARG 74 2HB ARG 74 1.370 16.337 6.004 626 HG2 ARG 74 1HG ARG 74 1.589 17.820 7.911 627 HG3 ARG 74 2HG ARG 74 2.680 18.305 6.611 628 HD2 ARG 74 1HD ARG 74 0.922 19.965 5.909 629 HD3 ARG 74 2HD ARG 74 0.068 19.577 7.401 630 HE ARG 74 HE ARG 74 2.322 21.278 7.131 631 HH11 ARG 74 2HH1 ARG 74 0.864 18.943 9.262 632 HH12 ARG 74 1HH1 ARG 74 1.581 19.607 10.692 633 HH21 ARG 74 2HH2 ARG 74 3.272 22.162 9.007 634 HH22 ARG 74 1HH2 ARG 74 2.949 21.439 10.546 635 H ASN 75 H ASN 75 2.852 16.155 4.295 636 HA ASN 75 HA ASN 75 4.632 17.847 2.807 637 HB2 ASN 75 1HB ASN 75 6.377 18.073 4.430 638 HB3 ASN 75 2HB ASN 75 4.893 18.650 5.183 639 HD21 ASN 75 1HD2 ASN 75 6.902 15.758 4.853 640 HD22 ASN 75 2HD2 ASN 75 6.605 15.158 6.445 641 H ASP 76 H ASP 76 6.599 16.742 2.176 642 HA ASP 76 HA ASP 76 6.265 13.819 2.243 643 HB2 ASP 76 1HB ASP 76 7.443 15.685 0.201 644 HB3 ASP 76 2HB ASP 76 7.859 13.974 0.207 645 HA PRO 77 HA PRO 77 9.946 14.329 4.872 646 HB2 PRO 77 1HB PRO 77 9.615 11.955 6.146 647 HB3 PRO 77 2HB PRO 77 8.753 13.426 6.615 648 HG2 PRO 77 1HG PRO 77 7.809 11.125 4.947 649 HG3 PRO 77 2HG PRO 77 6.952 12.006 6.227 650 HD2 PRO 77 1HD PRO 77 6.521 12.476 3.595 651 HD3 PRO 77 2HD PRO 77 6.392 13.749 4.826 652 H SER 78 H SER 78 11.711 14.037 3.630 653 HA SER 78 HA SER 78 12.096 11.494 2.239 654 HB2 SER 78 1HB SER 78 12.435 13.697 1.057 655 HB3 SER 78 2HB SER 78 13.835 13.964 2.096 656 HG SER 78 HG SER 78 14.885 12.834 0.680 657 H GLY 79 H GLY 79 14.203 10.428 2.335 658 HA2 GLY 79 1HA GLY 79 15.978 11.035 4.520 659 HA3 GLY 79 2HA GLY 79 14.981 9.617 4.813 660 HA PRO 80 HA PRO 80 17.964 8.738 1.064 661 HB2 PRO 80 1HB PRO 80 20.224 10.242 1.080 662 HB3 PRO 80 2HB PRO 80 18.767 10.709 0.196 663 HG2 PRO 80 1HG PRO 80 19.741 11.641 2.869 664 HG3 PRO 80 2HG PRO 80 19.045 12.586 1.540 665 HD2 PRO 80 1HD PRO 80 17.607 11.846 3.712 666 HD3 PRO 80 2HD PRO 80 16.883 12.014 2.100 667 H SER 81 H SER 81 20.401 7.988 1.050 668 HA SER 81 HA SER 81 21.412 7.415 3.717 669 HB2 SER 81 1HB SER 81 20.610 5.222 1.788 670 HB3 SER 81 2HB SER 81 21.518 4.975 3.280 671 HG SER 81 HG SER 81 18.889 5.116 2.968 672 H SER 82 H SER 82 23.476 6.017 3.501 673 HA SER 82 HA SER 82 24.914 6.098 1.049 674 HB2 SER 82 1HB SER 82 25.335 8.300 3.039 675 HB3 SER 82 2HB SER 82 26.705 7.706 2.101 676 HG SER 82 HG SER 82 24.583 8.098 0.497 677 H GLY 83 H GLY 83 27.340 5.649 1.495 678 HA2 GLY 83 1HA GLY 83 28.973 4.399 2.541 679 HA3 GLY 83 2HA GLY 83 28.011 4.459 4.011 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -2.153 -23.695 -25.858 2 HA2 GLY 1 1HA GLY 1 -3.013 -21.563 -24.603 3 HA3 GLY 1 2HA GLY 1 -4.302 -21.703 -25.790 4 H SER 2 H SER 2 -4.205 -21.970 -22.789 5 HA SER 2 HA SER 2 -5.998 -24.210 -22.625 6 HB2 SER 2 1HB SER 2 -3.312 -24.313 -21.242 7 HB3 SER 2 2HB SER 2 -4.682 -25.320 -20.772 8 HG SER 2 HG SER 2 -2.927 -25.811 -22.653 9 H SER 3 H SER 3 -7.444 -23.957 -21.005 10 HA SER 3 HA SER 3 -6.907 -22.442 -18.644 11 HB2 SER 3 1HB SER 3 -8.372 -21.164 -20.922 12 HB3 SER 3 2HB SER 3 -8.861 -20.791 -19.270 13 HG SER 3 HG SER 3 -6.375 -20.498 -19.091 14 H GLY 4 H GLY 4 -9.103 -21.999 -17.463 15 HA2 GLY 4 1HA GLY 4 -11.401 -23.473 -18.053 16 HA3 GLY 4 2HA GLY 4 -10.351 -24.506 -17.094 17 H SER 5 H SER 5 -12.595 -21.936 -17.059 18 HA SER 5 HA SER 5 -12.904 -22.054 -14.245 19 HB2 SER 5 1HB SER 5 -12.266 -19.671 -13.770 20 HB3 SER 5 2HB SER 5 -10.899 -20.722 -14.138 21 HG SER 5 HG SER 5 -10.610 -19.727 -16.017 22 H SER 6 H SER 6 -14.933 -21.493 -13.764 23 HA SER 6 HA SER 6 -16.334 -19.562 -15.461 24 HB2 SER 6 1HB SER 6 -16.731 -22.056 -16.125 25 HB3 SER 6 2HB SER 6 -17.739 -22.098 -14.679 26 HG SER 6 HG SER 6 -19.215 -21.253 -15.900 27 H GLY 7 H GLY 7 -17.751 -18.278 -14.387 28 HA2 GLY 7 1HA GLY 7 -18.666 -17.210 -12.568 29 HA3 GLY 7 2HA GLY 7 -19.205 -18.820 -12.113 30 H LYS 8 H LYS 8 -16.999 -16.262 -11.476 31 HA LYS 8 HA LYS 8 -16.364 -17.317 -8.905 32 HB2 LYS 8 1HB LYS 8 -14.801 -18.634 -10.302 33 HB3 LYS 8 2HB LYS 8 -14.105 -17.136 -10.907 34 HG2 LYS 8 1HG LYS 8 -13.167 -16.602 -8.822 35 HG3 LYS 8 2HG LYS 8 -14.155 -17.799 -7.981 36 HD2 LYS 8 1HD LYS 8 -11.995 -18.740 -8.124 37 HD3 LYS 8 2HD LYS 8 -12.951 -19.554 -9.365 38 HE2 LYS 8 1HE LYS 8 -10.955 -19.047 -10.453 39 HE3 LYS 8 2HE LYS 8 -12.040 -17.751 -10.954 40 HZ1 LYS 8 1HZ LYS 8 -10.999 -16.238 -9.539 41 HZ2 LYS 8 2HZ LYS 8 -9.714 -17.107 -10.214 42 HZ3 LYS 8 3HZ LYS 8 -10.228 -17.445 -8.638 43 H LYS 9 H LYS 9 -16.726 -15.487 -7.825 44 HA LYS 9 HA LYS 9 -14.937 -13.304 -8.002 45 HB2 LYS 9 1HB LYS 9 -16.194 -12.706 -9.982 46 HB3 LYS 9 2HB LYS 9 -17.714 -12.870 -9.113 47 HG2 LYS 9 1HG LYS 9 -17.016 -10.995 -7.646 48 HG3 LYS 9 2HG LYS 9 -15.587 -10.789 -8.662 49 HD2 LYS 9 1HD LYS 9 -17.155 -10.515 -10.615 50 HD3 LYS 9 2HD LYS 9 -18.477 -10.453 -9.447 51 HE2 LYS 9 1HE LYS 9 -17.990 -8.213 -9.780 52 HE3 LYS 9 2HE LYS 9 -17.073 -8.592 -8.323 53 HZ1 LYS 9 1HZ LYS 9 -15.347 -9.159 -10.349 54 HZ2 LYS 9 2HZ LYS 9 -15.338 -7.754 -9.407 55 HZ3 LYS 9 3HZ LYS 9 -16.135 -7.766 -10.899 56 H ARG 10 H ARG 10 -15.223 -11.790 -6.315 57 HA ARG 10 HA ARG 10 -17.491 -11.883 -4.579 58 HB2 ARG 10 1HB ARG 10 -16.323 -12.737 -2.590 59 HB3 ARG 10 2HB ARG 10 -16.424 -13.951 -3.858 60 HG2 ARG 10 1HG ARG 10 -14.061 -13.123 -4.507 61 HG3 ARG 10 2HG ARG 10 -14.043 -12.434 -2.882 62 HD2 ARG 10 1HD ARG 10 -13.037 -14.602 -2.783 63 HD3 ARG 10 2HD ARG 10 -14.611 -14.691 -1.994 64 HE ARG 10 HE ARG 10 -14.601 -15.443 -4.784 65 HH11 ARG 10 2HH1 ARG 10 -14.289 -16.514 -1.486 66 HH12 ARG 10 1HH1 ARG 10 -14.707 -18.157 -1.843 67 HH21 ARG 10 2HH2 ARG 10 -15.152 -17.603 -5.266 68 HH22 ARG 10 1HH2 ARG 10 -15.196 -18.776 -3.993 69 H LYS 11 H LYS 11 -17.590 -10.111 -3.269 70 HA LYS 11 HA LYS 11 -15.398 -8.181 -3.561 71 HB2 LYS 11 1HB LYS 11 -17.001 -6.462 -3.082 72 HB3 LYS 11 2HB LYS 11 -17.701 -7.531 -4.290 73 HG2 LYS 11 1HG LYS 11 -18.957 -8.669 -2.480 74 HG3 LYS 11 2HG LYS 11 -18.331 -7.469 -1.347 75 HD2 LYS 11 1HD LYS 11 -19.571 -5.753 -2.278 76 HD3 LYS 11 2HD LYS 11 -19.734 -6.575 -3.831 77 HE2 LYS 11 1HE LYS 11 -21.338 -8.094 -2.948 78 HE3 LYS 11 2HE LYS 11 -21.023 -7.564 -1.296 79 HZ1 LYS 11 1HZ LYS 11 -22.010 -5.461 -1.758 80 HZ2 LYS 11 2HZ LYS 11 -23.091 -6.654 -2.278 81 HZ3 LYS 11 3HZ LYS 11 -22.154 -5.811 -3.407 82 H GLY 12 H GLY 12 -14.489 -7.136 -1.795 83 HA2 GLY 12 1HA GLY 12 -15.351 -7.266 0.852 84 HA3 GLY 12 2HA GLY 12 -14.291 -8.644 0.591 85 H ASN 13 H ASN 13 -13.949 -6.282 2.313 86 HA ASN 13 HA ASN 13 -11.527 -5.139 1.086 87 HB2 ASN 13 1HB ASN 13 -13.488 -4.019 3.076 88 HB3 ASN 13 2HB ASN 13 -11.863 -3.356 2.928 89 HD21 ASN 13 1HD2 ASN 13 -11.317 -2.165 1.145 90 HD22 ASN 13 2HD2 ASN 13 -12.473 -1.636 -0.026 91 H LEU 14 H LEU 14 -9.610 -5.131 2.220 92 HA LEU 14 HA LEU 14 -9.359 -7.148 4.264 93 HB2 LEU 14 1HB LEU 14 -7.186 -5.302 3.325 94 HB3 LEU 14 2HB LEU 14 -7.029 -6.918 4.013 95 HG LEU 14 HG LEU 14 -8.422 -6.572 1.394 96 HD11 LEU 14 1HD1 LEU 14 -6.622 -5.679 0.444 97 HD12 LEU 14 2HD1 LEU 14 -5.793 -7.200 0.773 98 HD13 LEU 14 3HD1 LEU 14 -5.668 -5.863 1.916 99 HD21 LEU 14 1HD2 LEU 14 -6.560 -8.767 1.746 100 HD22 LEU 14 2HD2 LEU 14 -8.270 -8.793 1.315 101 HD23 LEU 14 3HD2 LEU 14 -7.788 -8.724 3.011 102 HA PRO 15 HA PRO 15 -9.466 -4.584 7.828 103 HB2 PRO 15 1HB PRO 15 -7.749 -5.912 9.458 104 HB3 PRO 15 2HB PRO 15 -9.362 -6.517 9.066 105 HG2 PRO 15 1HG PRO 15 -6.716 -7.281 7.893 106 HG3 PRO 15 2HG PRO 15 -8.072 -8.321 8.366 107 HD2 PRO 15 1HD PRO 15 -7.605 -7.617 5.794 108 HD3 PRO 15 2HD PRO 15 -9.241 -7.894 6.426 109 H ALA 16 H ALA 16 -8.489 -2.765 8.510 110 HA ALA 16 HA ALA 16 -6.475 -1.468 7.342 111 HB1 ALA 16 1HB ALA 16 -6.294 -1.193 10.257 112 HB2 ALA 16 2HB ALA 16 -6.622 0.019 9.017 113 HB3 ALA 16 3HB ALA 16 -7.921 -1.024 9.597 114 H GLU 17 H GLU 17 -5.833 -3.268 10.359 115 HA GLU 17 HA GLU 17 -3.175 -3.179 10.559 116 HB2 GLU 17 1HB GLU 17 -4.998 -4.708 11.752 117 HB3 GLU 17 2HB GLU 17 -4.301 -5.933 10.702 118 HG2 GLU 17 1HG GLU 17 -2.968 -6.220 12.504 119 HG3 GLU 17 2HG GLU 17 -2.043 -4.963 11.685 120 H SER 18 H SER 18 -4.887 -5.326 8.312 121 HA SER 18 HA SER 18 -2.460 -6.374 7.193 122 HB2 SER 18 1HB SER 18 -5.380 -6.645 6.550 123 HB3 SER 18 2HB SER 18 -4.168 -7.216 5.403 124 HG SER 18 HG SER 18 -5.072 -8.475 7.518 125 H VAL 19 H VAL 19 -4.787 -3.880 6.331 126 HA VAL 19 HA VAL 19 -3.926 -3.372 3.714 127 HB VAL 19 HB VAL 19 -5.191 -1.545 5.755 128 HG11 VAL 19 1HG1 VAL 19 -5.633 0.014 3.940 129 HG12 VAL 19 2HG1 VAL 19 -3.896 -0.223 4.144 130 HG13 VAL 19 3HG1 VAL 19 -4.746 -1.017 2.818 131 HG21 VAL 19 1HG2 VAL 19 -7.221 -1.931 4.551 132 HG22 VAL 19 2HG2 VAL 19 -6.366 -2.812 3.284 133 HG23 VAL 19 3HG2 VAL 19 -6.496 -3.500 4.903 134 H LYS 20 H LYS 20 -3.011 -1.746 6.751 135 HA LYS 20 HA LYS 20 -1.294 0.158 5.952 136 HB2 LYS 20 1HB LYS 20 -1.707 -0.331 8.304 137 HB3 LYS 20 2HB LYS 20 -0.790 -1.827 8.177 138 HG2 LYS 20 1HG LYS 20 1.196 -0.393 7.537 139 HG3 LYS 20 2HG LYS 20 0.232 0.993 8.052 140 HD2 LYS 20 1HD LYS 20 0.049 0.101 10.281 141 HD3 LYS 20 2HD LYS 20 0.847 -1.395 9.790 142 HE2 LYS 20 1HE LYS 20 2.884 -0.117 9.279 143 HE3 LYS 20 2HE LYS 20 2.081 1.359 9.814 144 HZ1 LYS 20 1HZ LYS 20 1.731 0.013 11.981 145 HZ2 LYS 20 2HZ LYS 20 3.232 0.731 11.681 146 HZ3 LYS 20 3HZ LYS 20 3.018 -0.925 11.411 147 H ILE 21 H ILE 21 -0.601 -3.303 5.981 148 HA ILE 21 HA ILE 21 2.129 -3.112 5.283 149 HB ILE 21 HB ILE 21 0.142 -5.346 4.886 150 HG12 ILE 21 1HG1 ILE 21 1.853 -6.277 6.704 151 HG13 ILE 21 2HG1 ILE 21 2.080 -4.558 7.009 152 HG21 ILE 21 1HG2 ILE 21 2.808 -6.305 4.874 153 HG22 ILE 21 2HG2 ILE 21 1.601 -6.402 3.593 154 HG23 ILE 21 3HG2 ILE 21 2.690 -5.017 3.675 155 HD11 ILE 21 1HD1 ILE 21 0.219 -4.489 8.194 156 HD12 ILE 21 2HD1 ILE 21 -0.712 -5.142 6.846 157 HD13 ILE 21 3HD1 ILE 21 0.064 -6.234 7.992 158 H LEU 22 H LEU 22 -0.800 -3.544 3.327 159 HA LEU 22 HA LEU 22 0.608 -3.657 0.847 160 HB2 LEU 22 1HB LEU 22 -2.291 -3.174 1.503 161 HB3 LEU 22 2HB LEU 22 -1.670 -3.323 -0.140 162 HG LEU 22 HG LEU 22 -1.633 -5.472 1.979 163 HD11 LEU 22 1HD1 LEU 22 -3.064 -6.451 -0.090 164 HD12 LEU 22 2HD1 LEU 22 -3.503 -4.745 -0.171 165 HD13 LEU 22 3HD1 LEU 22 -3.773 -5.655 1.316 166 HD21 LEU 22 1HD2 LEU 22 -1.135 -6.483 -0.610 167 HD22 LEU 22 2HD2 LEU 22 -0.054 -6.470 0.784 168 HD23 LEU 22 3HD2 LEU 22 -0.037 -5.126 -0.359 169 H ARG 23 H ARG 23 -1.473 -1.162 2.320 170 HA ARG 23 HA ARG 23 -1.238 0.824 0.451 171 HB2 ARG 23 1HB ARG 23 -1.618 0.805 3.400 172 HB3 ARG 23 2HB ARG 23 -1.220 2.344 2.649 173 HG2 ARG 23 1HG ARG 23 -3.149 1.912 1.065 174 HG3 ARG 23 2HG ARG 23 -3.608 0.597 2.149 175 HD2 ARG 23 1HD ARG 23 -3.768 2.181 4.004 176 HD3 ARG 23 2HD ARG 23 -3.296 3.495 2.927 177 HE ARG 23 HE ARG 23 -5.456 2.549 1.683 178 HH11 ARG 23 2HH1 ARG 23 -4.898 3.306 5.035 179 HH12 ARG 23 1HH1 ARG 23 -6.548 3.730 5.349 180 HH21 ARG 23 2HH2 ARG 23 -7.632 3.104 2.084 181 HH22 ARG 23 1HH2 ARG 23 -8.102 3.614 3.670 182 H ASP 24 H ASP 24 0.873 0.486 3.310 183 HA ASP 24 HA ASP 24 2.667 2.470 2.897 184 HB2 ASP 24 1HB ASP 24 2.620 0.584 4.689 185 HB3 ASP 24 2HB ASP 24 3.700 -0.264 3.586 186 H TRP 25 H TRP 25 2.553 -0.611 1.188 187 HA TRP 25 HA TRP 25 4.961 -0.106 -0.297 188 HB2 TRP 25 1HB TRP 25 4.273 -2.399 0.195 189 HB3 TRP 25 2HB TRP 25 2.780 -2.163 -0.709 190 HD1 TRP 25 HD TRP 25 6.406 -3.073 -1.149 191 HE1 TRP 25 1HE TRP 25 6.868 -3.590 -3.627 192 HE3 TRP 25 3HE TRP 25 2.007 -1.415 -3.158 193 HZ2 TRP 25 2HZ TRP 25 5.544 -3.328 -6.106 194 HZ3 TRP 25 3HZ TRP 25 1.684 -1.583 -5.591 195 HH2 TRP 25 HH TRP 25 3.417 -2.520 -7.033 196 H MET 26 H MET 26 1.487 -0.132 -1.076 197 HA MET 26 HA MET 26 1.624 0.520 -3.756 198 HB2 MET 26 1HB MET 26 -0.487 -0.061 -2.835 199 HB3 MET 26 2HB MET 26 -0.411 1.238 -1.652 200 HG2 MET 26 1HG MET 26 -0.471 2.841 -3.604 201 HG3 MET 26 2HG MET 26 -0.876 1.451 -4.608 202 HE1 MET 26 1HE MET 26 -4.519 1.031 -4.253 203 HE2 MET 26 2HE MET 26 -3.258 1.497 -5.393 204 HE3 MET 26 3HE MET 26 -3.059 0.052 -4.401 205 H TYR 27 H TYR 27 2.341 2.476 -1.014 206 HA TYR 27 HA TYR 27 2.005 5.014 -2.285 207 HB2 TYR 27 1HB TYR 27 1.966 4.642 0.197 208 HB3 TYR 27 2HB TYR 27 3.703 4.363 0.131 209 HD1 TYR 27 2HD TYR 27 1.414 6.923 -1.358 210 HD2 TYR 27 1HD TYR 27 4.878 6.146 0.987 211 HE1 TYR 27 2HE TYR 27 1.805 9.342 -1.145 212 HE2 TYR 27 1HE TYR 27 5.278 8.563 1.207 213 HH TYR 27 HH TYR 27 4.063 10.651 1.063 214 H LYS 28 H LYS 28 4.956 3.324 -1.200 215 HA LYS 28 HA LYS 28 6.811 4.940 -2.453 216 HB2 LYS 28 1HB LYS 28 6.885 1.988 -1.837 217 HB3 LYS 28 2HB LYS 28 8.276 2.861 -2.467 218 HG2 LYS 28 1HG LYS 28 8.267 4.315 -0.517 219 HG3 LYS 28 2HG LYS 28 6.845 3.478 0.111 220 HD2 LYS 28 1HD LYS 28 8.044 1.513 0.527 221 HD3 LYS 28 2HD LYS 28 9.371 1.991 -0.534 222 HE2 LYS 28 1HE LYS 28 8.666 3.405 2.032 223 HE3 LYS 28 2HE LYS 28 9.882 2.135 1.910 224 HZ1 LYS 28 1HZ LYS 28 10.727 4.480 1.788 225 HZ2 LYS 28 2HZ LYS 28 9.978 4.604 0.277 226 HZ3 LYS 28 3HZ LYS 28 11.210 3.471 0.520 227 H HIS 29 H HIS 29 4.884 2.332 -3.788 228 HA HIS 29 HA HIS 29 6.203 2.656 -6.388 229 HB2 HIS 29 1HB HIS 29 4.202 0.558 -5.525 230 HB3 HIS 29 2HB HIS 29 5.117 0.575 -7.030 231 HD1 HIS 29 1HD HIS 29 7.638 -0.047 -6.891 232 HD2 HIS 29 2HD HIS 29 5.585 -0.371 -3.293 233 HE1 HIS 29 1HE HIS 29 9.152 -1.355 -5.368 234 HE2 HIS 29 2HE HIS 29 7.853 -1.612 -3.225 235 H ARG 30 H ARG 30 3.807 4.106 -4.804 236 HA ARG 30 HA ARG 30 1.456 4.072 -6.077 237 HB2 ARG 30 1HB ARG 30 1.207 6.441 -5.660 238 HB3 ARG 30 2HB ARG 30 2.089 5.708 -4.326 239 HG2 ARG 30 1HG ARG 30 4.169 6.464 -5.790 240 HG3 ARG 30 2HG ARG 30 2.997 7.651 -6.365 241 HD2 ARG 30 1HD ARG 30 3.163 7.223 -3.439 242 HD3 ARG 30 2HD ARG 30 4.524 8.041 -4.207 243 HE ARG 30 HE ARG 30 1.924 9.096 -4.893 244 HH11 ARG 30 2HH1 ARG 30 4.652 9.272 -2.738 245 HH12 ARG 30 1HH1 ARG 30 4.329 10.903 -2.252 246 HH21 ARG 30 2HH2 ARG 30 1.488 11.244 -4.261 247 HH22 ARG 30 1HH2 ARG 30 2.529 12.024 -3.118 248 H PHE 31 H PHE 31 4.464 5.188 -7.463 249 HA PHE 31 HA PHE 31 3.667 6.625 -9.648 250 HB2 PHE 31 1HB PHE 31 5.937 4.757 -9.148 251 HB3 PHE 31 2HB PHE 31 5.668 5.308 -10.798 252 HD1 PHE 31 2HD PHE 31 5.501 6.945 -7.446 253 HD2 PHE 31 1HD PHE 31 7.134 6.966 -11.377 254 HE1 PHE 31 2HE PHE 31 6.693 9.036 -6.936 255 HE2 PHE 31 1HE PHE 31 8.329 9.057 -10.873 256 HZ PHE 31 HZ PHE 31 8.109 10.095 -8.651 257 H LYS 32 H LYS 32 3.920 3.083 -9.448 258 HA LYS 32 HA LYS 32 2.370 2.888 -11.938 259 HB2 LYS 32 1HB LYS 32 3.244 0.674 -12.200 260 HB3 LYS 32 2HB LYS 32 4.593 1.737 -11.821 261 HG2 LYS 32 1HG LYS 32 4.542 0.979 -9.500 262 HG3 LYS 32 2HG LYS 32 3.189 -0.089 -9.880 263 HD2 LYS 32 1HD LYS 32 4.903 -1.578 -10.099 264 HD3 LYS 32 2HD LYS 32 4.873 -0.940 -11.745 265 HE2 LYS 32 1HE LYS 32 7.140 -0.933 -11.077 266 HE3 LYS 32 2HE LYS 32 6.599 0.742 -10.990 267 HZ1 LYS 32 1HZ LYS 32 6.998 -1.144 -8.738 268 HZ2 LYS 32 2HZ LYS 32 6.207 0.342 -8.570 269 HZ3 LYS 32 3HZ LYS 32 7.832 0.298 -9.038 270 H ALA 33 H ALA 33 2.590 1.530 -8.663 271 HA ALA 33 HA ALA 33 0.961 0.800 -7.238 272 HB1 ALA 33 1HB ALA 33 -1.244 1.491 -7.489 273 HB2 ALA 33 2HB ALA 33 -0.332 2.732 -8.350 274 HB3 ALA 33 3HB ALA 33 -1.157 1.460 -9.251 275 H TYR 34 H TYR 34 2.254 -1.096 -8.576 276 HA TYR 34 HA TYR 34 0.312 -3.202 -8.758 277 HB2 TYR 34 1HB TYR 34 1.757 -2.248 -11.223 278 HB3 TYR 34 2HB TYR 34 1.166 -3.900 -11.076 279 HD1 TYR 34 1HD TYR 34 -1.370 -4.122 -10.416 280 HD2 TYR 34 2HD TYR 34 0.367 -0.640 -12.137 281 HE1 TYR 34 1HE TYR 34 -3.593 -3.398 -11.179 282 HE2 TYR 34 2HE TYR 34 -1.852 0.094 -12.905 283 HH TYR 34 HH TYR 34 -4.014 -0.377 -13.003 284 HA PRO 35 HA PRO 35 4.151 -4.798 -7.011 285 HB2 PRO 35 1HB PRO 35 2.972 -6.932 -5.816 286 HB3 PRO 35 2HB PRO 35 2.949 -5.308 -5.120 287 HG2 PRO 35 1HG PRO 35 0.831 -6.726 -6.690 288 HG3 PRO 35 2HG PRO 35 0.666 -5.734 -5.229 289 HD2 PRO 35 1HD PRO 35 0.112 -4.785 -7.704 290 HD3 PRO 35 2HD PRO 35 0.757 -3.756 -6.409 291 H SER 36 H SER 36 5.185 -6.987 -7.098 292 HA SER 36 HA SER 36 4.534 -8.290 -9.657 293 HB2 SER 36 1HB SER 36 6.791 -7.150 -9.393 294 HB3 SER 36 2HB SER 36 7.190 -8.405 -8.220 295 HG SER 36 HG SER 36 6.539 -8.752 -10.959 296 H GLU 37 H GLU 37 4.760 -10.585 -9.814 297 HA GLU 37 HA GLU 37 3.427 -12.127 -8.082 298 HB2 GLU 37 1HB GLU 37 5.866 -12.916 -9.677 299 HB3 GLU 37 2HB GLU 37 4.829 -14.076 -8.858 300 HG2 GLU 37 1HG GLU 37 2.942 -12.873 -10.228 301 HG3 GLU 37 2HG GLU 37 4.292 -12.420 -11.267 302 H GLU 38 H GLU 38 6.696 -11.002 -7.650 303 HA GLU 38 HA GLU 38 7.243 -12.736 -5.413 304 HB2 GLU 38 1HB GLU 38 8.697 -10.541 -6.820 305 HB3 GLU 38 2HB GLU 38 9.198 -10.968 -5.190 306 HG2 GLU 38 1HG GLU 38 8.905 -13.058 -7.311 307 HG3 GLU 38 2HG GLU 38 10.371 -12.088 -7.177 308 H GLU 39 H GLU 39 6.599 -9.266 -5.853 309 HA GLU 39 HA GLU 39 6.750 -8.474 -3.197 310 HB2 GLU 39 1HB GLU 39 4.839 -7.394 -5.274 311 HB3 GLU 39 2HB GLU 39 5.394 -6.560 -3.829 312 HG2 GLU 39 1HG GLU 39 7.182 -7.432 -6.086 313 HG3 GLU 39 2HG GLU 39 6.504 -5.815 -5.909 314 H LYS 40 H LYS 40 3.848 -9.457 -5.016 315 HA LYS 40 HA LYS 40 1.986 -9.270 -2.984 316 HB2 LYS 40 1HB LYS 40 1.774 -11.600 -4.822 317 HB3 LYS 40 2HB LYS 40 0.556 -10.417 -4.363 318 HG2 LYS 40 1HG LYS 40 1.964 -8.761 -5.749 319 HG3 LYS 40 2HG LYS 40 2.692 -10.211 -6.445 320 HD2 LYS 40 1HD LYS 40 0.377 -11.002 -6.990 321 HD3 LYS 40 2HD LYS 40 -0.218 -9.421 -6.479 322 HE2 LYS 40 1HE LYS 40 0.995 -8.321 -8.210 323 HE3 LYS 40 2HE LYS 40 1.877 -9.794 -8.610 324 HZ1 LYS 40 1HZ LYS 40 0.038 -10.719 -9.625 325 HZ2 LYS 40 2HZ LYS 40 -0.103 -9.093 -10.067 326 HZ3 LYS 40 3HZ LYS 40 -1.062 -9.717 -8.820 327 H GLN 41 H GLN 41 3.569 -12.304 -4.004 328 HA GLN 41 HA GLN 41 2.721 -13.954 -2.001 329 HB2 GLN 41 1HB GLN 41 4.284 -14.406 -4.033 330 HB3 GLN 41 2HB GLN 41 5.583 -14.076 -2.894 331 HG2 GLN 41 1HG GLN 41 4.872 -16.505 -3.254 332 HG3 GLN 41 2HG GLN 41 5.097 -15.937 -1.601 333 HE21 GLN 41 1HE2 GLN 41 3.258 -15.528 -0.318 334 HE22 GLN 41 2HE2 GLN 41 1.734 -16.256 -0.681 335 H MET 42 H MET 42 5.262 -11.535 -1.847 336 HA MET 42 HA MET 42 6.296 -12.318 0.681 337 HB2 MET 42 1HB MET 42 7.805 -10.997 -0.437 338 HB3 MET 42 2HB MET 42 6.561 -9.944 -1.096 339 HG2 MET 42 1HG MET 42 6.267 -8.971 1.169 340 HG3 MET 42 2HG MET 42 7.636 -9.940 1.711 341 HE1 MET 42 1HE MET 42 7.501 -6.848 -1.514 342 HE2 MET 42 2HE MET 42 6.194 -7.453 -0.497 343 HE3 MET 42 3HE MET 42 7.170 -6.086 0.042 344 H LEU 43 H LEU 43 4.082 -9.701 -0.291 345 HA LEU 43 HA LEU 43 3.568 -8.727 2.284 346 HB2 LEU 43 1HB LEU 43 1.675 -8.722 -0.060 347 HB3 LEU 43 2HB LEU 43 1.642 -7.636 1.328 348 HG LEU 43 HG LEU 43 4.066 -7.671 -0.409 349 HD11 LEU 43 1HD1 LEU 43 2.902 -5.824 -1.737 350 HD12 LEU 43 2HD1 LEU 43 1.395 -6.514 -1.136 351 HD13 LEU 43 3HD1 LEU 43 2.482 -7.494 -2.119 352 HD21 LEU 43 1HD2 LEU 43 2.594 -5.514 1.102 353 HD22 LEU 43 2HD2 LEU 43 4.106 -5.305 0.219 354 HD23 LEU 43 3HD2 LEU 43 4.051 -6.351 1.639 355 H SER 44 H SER 44 1.873 -11.172 0.355 356 HA SER 44 HA SER 44 -0.317 -11.673 1.921 357 HB2 SER 44 1HB SER 44 -0.361 -12.975 0.034 358 HB3 SER 44 2HB SER 44 1.360 -13.349 0.122 359 HG SER 44 HG SER 44 -0.700 -14.444 1.740 360 H GLU 45 H GLU 45 3.002 -12.369 2.617 361 HA GLU 45 HA GLU 45 2.522 -14.298 4.670 362 HB2 GLU 45 1HB GLU 45 4.948 -12.584 4.106 363 HB3 GLU 45 2HB GLU 45 4.901 -13.912 5.257 364 HG2 GLU 45 1HG GLU 45 4.532 -14.102 2.278 365 HG3 GLU 45 2HG GLU 45 5.930 -14.637 3.208 366 H LYS 46 H LYS 46 3.054 -10.809 4.596 367 HA LYS 46 HA LYS 46 3.014 -10.555 7.462 368 HB2 LYS 46 1HB LYS 46 2.786 -8.423 5.329 369 HB3 LYS 46 2HB LYS 46 3.093 -8.144 7.038 370 HG2 LYS 46 1HG LYS 46 5.266 -8.803 6.901 371 HG3 LYS 46 2HG LYS 46 4.958 -9.929 5.577 372 HD2 LYS 46 1HD LYS 46 4.599 -7.943 4.091 373 HD3 LYS 46 2HD LYS 46 5.147 -6.923 5.424 374 HE2 LYS 46 1HE LYS 46 7.270 -8.235 5.453 375 HE3 LYS 46 2HE LYS 46 6.717 -9.068 4.001 376 HZ1 LYS 46 1HZ LYS 46 7.922 -6.507 4.252 377 HZ2 LYS 46 2HZ LYS 46 6.434 -6.390 3.458 378 HZ3 LYS 46 3HZ LYS 46 7.633 -7.421 2.858 379 H THR 47 H THR 47 0.759 -9.964 4.806 380 HA THR 47 HA THR 47 -1.316 -9.062 6.620 381 HB THR 47 HB THR 47 -2.707 -8.811 4.624 382 HG1 THR 47 1HG THR 47 -0.555 -10.193 3.413 383 HG21 THR 47 1HG2 THR 47 -1.189 -6.988 5.186 384 HG22 THR 47 2HG2 THR 47 -1.348 -7.136 3.436 385 HG23 THR 47 3HG2 THR 47 0.094 -7.747 4.246 386 H ASN 48 H ASN 48 -0.237 -12.008 5.263 387 HA ASN 48 HA ASN 48 -0.977 -14.152 5.444 388 HB2 ASN 48 1HB ASN 48 -3.149 -13.176 7.293 389 HB3 ASN 48 2HB ASN 48 -2.360 -14.750 7.269 390 HD21 ASN 48 1HD2 ASN 48 -0.485 -15.043 8.360 391 HD22 ASN 48 2HD2 ASN 48 0.256 -13.832 9.344 392 H LEU 49 H LEU 49 -2.088 -12.276 3.471 393 HA LEU 49 HA LEU 49 -4.800 -13.307 3.087 394 HB2 LEU 49 1HB LEU 49 -3.357 -11.254 1.426 395 HB3 LEU 49 2HB LEU 49 -5.086 -11.595 1.451 396 HG LEU 49 HG LEU 49 -3.621 -10.501 3.841 397 HD11 LEU 49 1HD1 LEU 49 -4.601 -9.123 1.405 398 HD12 LEU 49 2HD1 LEU 49 -3.252 -8.727 2.469 399 HD13 LEU 49 3HD1 LEU 49 -4.903 -8.354 2.963 400 HD21 LEU 49 1HD2 LEU 49 -5.883 -11.612 4.061 401 HD22 LEU 49 2HD2 LEU 49 -6.528 -10.283 3.097 402 HD23 LEU 49 3HD2 LEU 49 -5.769 -9.956 4.656 403 H SER 50 H SER 50 -5.169 -13.378 0.461 404 HA SER 50 HA SER 50 -3.277 -15.441 -0.451 405 HB2 SER 50 1HB SER 50 -6.214 -15.027 -1.020 406 HB3 SER 50 2HB SER 50 -5.212 -16.132 -1.960 407 HG SER 50 HG SER 50 -5.320 -17.515 -0.388 408 H LEU 51 H LEU 51 -2.318 -15.291 -2.422 409 HA LEU 51 HA LEU 51 -1.645 -12.960 -3.580 410 HB2 LEU 51 1HB LEU 51 -2.140 -15.597 -4.943 411 HB3 LEU 51 2HB LEU 51 -1.365 -14.227 -5.735 412 HG LEU 51 HG LEU 51 -0.317 -15.765 -3.361 413 HD11 LEU 51 1HD1 LEU 51 -0.100 -16.166 -6.166 414 HD12 LEU 51 2HD1 LEU 51 0.665 -17.068 -4.858 415 HD13 LEU 51 3HD1 LEU 51 1.474 -15.662 -5.550 416 HD21 LEU 51 1HD2 LEU 51 0.396 -13.140 -4.504 417 HD22 LEU 51 2HD2 LEU 51 1.740 -14.229 -4.158 418 HD23 LEU 51 3HD2 LEU 51 0.622 -13.770 -2.873 419 H LEU 52 H LEU 52 -4.587 -14.787 -4.257 420 HA LEU 52 HA LEU 52 -5.506 -13.234 -6.413 421 HB2 LEU 52 1HB LEU 52 -6.534 -15.314 -6.103 422 HB3 LEU 52 2HB LEU 52 -6.868 -14.993 -4.402 423 HG LEU 52 HG LEU 52 -8.546 -13.292 -5.129 424 HD11 LEU 52 1HD1 LEU 52 -7.794 -14.370 -7.828 425 HD12 LEU 52 2HD1 LEU 52 -7.871 -12.692 -7.293 426 HD13 LEU 52 3HD1 LEU 52 -9.357 -13.614 -7.519 427 HD21 LEU 52 1HD2 LEU 52 -9.247 -15.926 -6.359 428 HD22 LEU 52 2HD2 LEU 52 -10.236 -14.853 -5.370 429 HD23 LEU 52 3HD2 LEU 52 -8.952 -15.806 -4.625 430 H GLN 53 H GLN 53 -6.212 -13.034 -2.933 431 HA GLN 53 HA GLN 53 -7.952 -10.822 -3.110 432 HB2 GLN 53 1HB GLN 53 -6.360 -12.054 -0.886 433 HB3 GLN 53 2HB GLN 53 -7.221 -10.543 -0.626 434 HG2 GLN 53 1HG GLN 53 -9.312 -11.650 -1.308 435 HG3 GLN 53 2HG GLN 53 -8.428 -13.166 -1.475 436 HE21 GLN 53 1HE2 GLN 53 -7.011 -13.576 0.592 437 HE22 GLN 53 2HE2 GLN 53 -7.880 -13.457 2.080 438 H ILE 54 H ILE 54 -4.464 -11.077 -2.631 439 HA ILE 54 HA ILE 54 -3.864 -8.455 -1.974 440 HB ILE 54 HB ILE 54 -2.250 -10.350 -3.684 441 HG12 ILE 54 1HG1 ILE 54 -2.786 -11.202 -1.431 442 HG13 ILE 54 2HG1 ILE 54 -1.067 -10.865 -1.608 443 HG21 ILE 54 1HG2 ILE 54 -1.828 -7.604 -3.119 444 HG22 ILE 54 2HG2 ILE 54 -0.630 -8.535 -2.221 445 HG23 ILE 54 3HG2 ILE 54 -0.767 -8.727 -3.969 446 HD11 ILE 54 1HD1 ILE 54 -1.844 -8.530 -0.593 447 HD12 ILE 54 2HD1 ILE 54 -3.090 -9.568 0.101 448 HD13 ILE 54 3HD1 ILE 54 -1.387 -9.908 0.407 449 H SER 55 H SER 55 -3.420 -9.791 -5.250 450 HA SER 55 HA SER 55 -3.153 -7.371 -6.566 451 HB2 SER 55 1HB SER 55 -2.791 -9.766 -7.451 452 HB3 SER 55 2HB SER 55 -4.509 -9.737 -7.848 453 HG SER 55 HG SER 55 -3.008 -9.034 -9.545 454 H ASN 56 H ASN 56 -6.087 -9.206 -5.843 455 HA ASN 56 HA ASN 56 -7.930 -7.739 -7.308 456 HB2 ASN 56 1HB ASN 56 -8.111 -9.319 -4.766 457 HB3 ASN 56 2HB ASN 56 -9.510 -8.410 -5.331 458 HD21 ASN 56 1HD2 ASN 56 -9.860 -11.009 -5.125 459 HD22 ASN 56 2HD2 ASN 56 -9.858 -11.784 -6.669 460 H TRP 57 H TRP 57 -7.030 -7.272 -3.889 461 HA TRP 57 HA TRP 57 -8.549 -5.035 -3.349 462 HB2 TRP 57 1HB TRP 57 -7.416 -6.078 -1.543 463 HB3 TRP 57 2HB TRP 57 -5.845 -5.880 -2.316 464 HD1 TRP 57 HD TRP 57 -8.474 -3.925 -0.334 465 HE1 TRP 57 1HE TRP 57 -7.395 -1.761 0.547 466 HE3 TRP 57 3HE TRP 57 -3.992 -4.200 -2.777 467 HZ2 TRP 57 2HZ TRP 57 -4.966 -0.355 0.245 468 HZ3 TRP 57 3HZ TRP 57 -2.346 -2.405 -2.426 469 HH2 TRP 57 HH TRP 57 -2.825 -0.523 -0.947 470 H PHE 58 H PHE 58 -5.343 -5.209 -4.838 471 HA PHE 58 HA PHE 58 -4.778 -2.481 -4.938 472 HB2 PHE 58 1HB PHE 58 -3.887 -4.877 -6.461 473 HB3 PHE 58 2HB PHE 58 -3.535 -3.299 -7.159 474 HD1 PHE 58 2HD PHE 58 -2.079 -1.717 -5.978 475 HD2 PHE 58 1HD PHE 58 -2.755 -5.657 -4.515 476 HE1 PHE 58 2HE PHE 58 -0.116 -1.506 -4.510 477 HE2 PHE 58 1HE PHE 58 -0.794 -5.451 -3.044 478 HZ PHE 58 HZ PHE 58 0.529 -3.374 -3.041 479 H ILE 59 H ILE 59 -6.744 -4.491 -7.040 480 HA ILE 59 HA ILE 59 -7.053 -2.874 -9.247 481 HB ILE 59 HB ILE 59 -9.203 -4.526 -7.915 482 HG12 ILE 59 1HG1 ILE 59 -7.404 -5.286 -10.219 483 HG13 ILE 59 2HG1 ILE 59 -7.042 -5.693 -8.545 484 HG21 ILE 59 1HG2 ILE 59 -9.057 -3.088 -10.516 485 HG22 ILE 59 2HG2 ILE 59 -9.904 -4.633 -10.450 486 HG23 ILE 59 3HG2 ILE 59 -10.419 -3.300 -9.417 487 HD11 ILE 59 1HD1 ILE 59 -9.222 -6.716 -10.308 488 HD12 ILE 59 2HD1 ILE 59 -8.046 -7.609 -9.342 489 HD13 ILE 59 3HD1 ILE 59 -9.385 -6.775 -8.553 490 H ASN 60 H ASN 60 -9.528 -3.019 -6.687 491 HA ASN 60 HA ASN 60 -10.635 -0.505 -7.412 492 HB2 ASN 60 1HB ASN 60 -11.960 -2.294 -6.345 493 HB3 ASN 60 2HB ASN 60 -11.018 -2.101 -4.870 494 HD21 ASN 60 1HD2 ASN 60 -13.870 -1.398 -6.213 495 HD22 ASN 60 2HD2 ASN 60 -14.264 0.058 -5.371 496 H ALA 61 H ALA 61 -8.483 -1.571 -4.815 497 HA ALA 61 HA ALA 61 -8.379 0.775 -3.325 498 HB1 ALA 61 1HB ALA 61 -6.176 -1.230 -3.797 499 HB2 ALA 61 2HB ALA 61 -6.213 -0.029 -2.505 500 HB3 ALA 61 3HB ALA 61 -7.417 -1.317 -2.546 501 H ARG 62 H ARG 62 -6.749 -0.091 -6.306 502 HA ARG 62 HA ARG 62 -4.980 2.172 -6.269 503 HB2 ARG 62 1HB ARG 62 -4.340 0.112 -7.419 504 HB3 ARG 62 2HB ARG 62 -5.714 0.274 -8.504 505 HG2 ARG 62 1HG ARG 62 -4.763 2.339 -9.402 506 HG3 ARG 62 2HG ARG 62 -3.382 2.169 -8.316 507 HD2 ARG 62 1HD ARG 62 -2.676 0.170 -9.405 508 HD3 ARG 62 2HD ARG 62 -4.168 0.084 -10.341 509 HE ARG 62 HE ARG 62 -1.835 1.530 -11.021 510 HH11 ARG 62 2HH1 ARG 62 -5.309 1.736 -11.118 511 HH12 ARG 62 1HH1 ARG 62 -5.339 2.780 -12.500 512 HH21 ARG 62 2HH2 ARG 62 -1.862 2.905 -12.841 513 HH22 ARG 62 1HH2 ARG 62 -3.378 3.444 -13.480 514 H ARG 63 H ARG 63 -8.239 1.824 -6.857 515 HA ARG 63 HA ARG 63 -8.318 4.068 -8.753 516 HB2 ARG 63 1HB ARG 63 -10.496 2.129 -7.952 517 HB3 ARG 63 2HB ARG 63 -10.671 3.428 -9.124 518 HG2 ARG 63 1HG ARG 63 -9.180 2.381 -10.640 519 HG3 ARG 63 2HG ARG 63 -8.673 1.204 -9.427 520 HD2 ARG 63 1HD ARG 63 -10.165 0.028 -10.793 521 HD3 ARG 63 2HD ARG 63 -11.119 0.470 -9.377 522 HE ARG 63 HE ARG 63 -11.633 2.497 -11.059 523 HH11 ARG 63 2HH1 ARG 63 -11.681 -0.958 -11.485 524 HH12 ARG 63 1HH1 ARG 63 -12.928 -0.924 -12.687 525 HH21 ARG 63 2HH2 ARG 63 -13.275 2.556 -12.641 526 HH22 ARG 63 1HH2 ARG 63 -13.833 1.076 -13.345 527 H ARG 64 H ARG 64 -8.594 3.377 -5.492 528 HA ARG 64 HA ARG 64 -10.095 5.869 -5.034 529 HB2 ARG 64 1HB ARG 64 -10.421 3.183 -3.774 530 HB3 ARG 64 2HB ARG 64 -10.684 4.609 -2.780 531 HG2 ARG 64 1HG ARG 64 -12.041 4.478 -5.416 532 HG3 ARG 64 2HG ARG 64 -12.645 3.456 -4.111 533 HD2 ARG 64 1HD ARG 64 -12.222 6.434 -3.902 534 HD3 ARG 64 2HD ARG 64 -13.770 5.666 -4.256 535 HE ARG 64 HE ARG 64 -12.490 4.763 -1.829 536 HH11 ARG 64 2HH1 ARG 64 -14.700 7.032 -3.274 537 HH12 ARG 64 1HH1 ARG 64 -15.537 7.360 -1.793 538 HH21 ARG 64 2HH2 ARG 64 -13.583 5.187 0.128 539 HH22 ARG 64 1HH2 ARG 64 -14.900 6.312 0.142 540 H ILE 65 H ILE 65 -7.711 3.589 -3.743 541 HA ILE 65 HA ILE 65 -6.799 5.423 -1.725 542 HB ILE 65 HB ILE 65 -5.390 2.938 -2.691 543 HG12 ILE 65 1HG1 ILE 65 -7.540 3.235 -0.584 544 HG13 ILE 65 2HG1 ILE 65 -7.669 2.340 -2.094 545 HG21 ILE 65 1HG2 ILE 65 -3.851 3.790 -1.288 546 HG22 ILE 65 2HG2 ILE 65 -5.016 4.840 -0.483 547 HG23 ILE 65 3HG2 ILE 65 -4.908 3.138 -0.036 548 HD11 ILE 65 1HD1 ILE 65 -5.492 1.182 -0.936 549 HD12 ILE 65 2HD1 ILE 65 -6.504 1.557 0.459 550 HD13 ILE 65 3HD1 ILE 65 -7.143 0.568 -0.853 551 H LEU 66 H LEU 66 -5.207 3.973 -4.573 552 HA LEU 66 HA LEU 66 -2.881 5.387 -4.613 553 HB2 LEU 66 1HB LEU 66 -3.220 3.688 -6.221 554 HB3 LEU 66 2HB LEU 66 -4.635 4.501 -6.886 555 HG LEU 66 HG LEU 66 -3.154 6.273 -7.774 556 HD11 LEU 66 1HD1 LEU 66 -1.346 5.948 -6.096 557 HD12 LEU 66 2HD1 LEU 66 -0.775 6.020 -7.763 558 HD13 LEU 66 3HD1 LEU 66 -0.894 4.465 -6.938 559 HD21 LEU 66 1HD2 LEU 66 -2.064 3.680 -8.768 560 HD22 LEU 66 2HD2 LEU 66 -2.600 5.098 -9.671 561 HD23 LEU 66 3HD2 LEU 66 -3.787 4.018 -8.938 562 HA PRO 67 HA PRO 67 -5.074 8.996 -7.003 563 HB2 PRO 67 1HB PRO 67 -7.779 9.100 -6.793 564 HB3 PRO 67 2HB PRO 67 -6.948 8.235 -8.092 565 HG2 PRO 67 1HG PRO 67 -8.142 7.164 -5.565 566 HG3 PRO 67 2HG PRO 67 -8.230 6.507 -7.209 567 HD2 PRO 67 1HD PRO 67 -6.522 5.540 -5.344 568 HD3 PRO 67 2HD PRO 67 -6.135 5.555 -7.076 569 H ASP 68 H ASP 68 -5.911 7.802 -3.897 570 HA ASP 68 HA ASP 68 -6.741 10.401 -2.886 571 HB2 ASP 68 1HB ASP 68 -7.981 8.593 -1.975 572 HB3 ASP 68 2HB ASP 68 -6.522 7.665 -1.637 573 H MET 69 H MET 69 -3.897 8.515 -3.174 574 HA MET 69 HA MET 69 -2.514 9.995 -1.068 575 HB2 MET 69 1HB MET 69 -0.585 8.468 -1.738 576 HB3 MET 69 2HB MET 69 -1.982 7.700 -0.995 577 HG2 MET 69 1HG MET 69 -2.779 6.986 -3.169 578 HG3 MET 69 2HG MET 69 -1.434 7.813 -3.952 579 HE1 MET 69 1HE MET 69 -1.578 3.912 -1.713 580 HE2 MET 69 2HE MET 69 -1.062 5.188 -0.611 581 HE3 MET 69 3HE MET 69 -2.593 5.336 -1.475 582 H LEU 70 H LEU 70 -2.448 9.500 -4.565 583 HA LEU 70 HA LEU 70 -0.164 11.010 -5.145 584 HB2 LEU 70 1HB LEU 70 -2.516 10.040 -6.635 585 HB3 LEU 70 2HB LEU 70 -1.671 11.414 -7.344 586 HG LEU 70 HG LEU 70 -0.943 9.245 -8.266 587 HD11 LEU 70 1HD1 LEU 70 0.611 11.391 -7.474 588 HD12 LEU 70 2HD1 LEU 70 1.069 10.126 -8.614 589 HD13 LEU 70 3HD1 LEU 70 1.511 9.982 -6.913 590 HD21 LEU 70 1HD2 LEU 70 0.309 7.687 -6.931 591 HD22 LEU 70 2HD2 LEU 70 -1.266 7.943 -6.179 592 HD23 LEU 70 3HD2 LEU 70 0.168 8.725 -5.512 593 H GLN 71 H GLN 71 -3.554 11.967 -4.823 594 HA GLN 71 HA GLN 71 -4.567 14.003 -4.690 595 HB2 GLN 71 1HB GLN 71 -1.903 14.554 -3.401 596 HB3 GLN 71 2HB GLN 71 -3.158 15.782 -3.497 597 HG2 GLN 71 1HG GLN 71 -3.597 13.083 -2.253 598 HG3 GLN 71 2HG GLN 71 -3.037 14.488 -1.347 599 HE21 GLN 71 1HE2 GLN 71 -4.515 15.782 -0.504 600 HE22 GLN 71 2HE2 GLN 71 -6.193 15.801 -0.915 601 H GLN 72 H GLN 72 -3.246 13.378 -7.171 602 HA GLN 72 HA GLN 72 -2.035 15.847 -8.085 603 HB2 GLN 72 1HB GLN 72 -2.690 13.255 -9.489 604 HB3 GLN 72 2HB GLN 72 -1.957 14.637 -10.293 605 HG2 GLN 72 1HG GLN 72 -0.756 13.236 -7.918 606 HG3 GLN 72 2HG GLN 72 -0.353 12.873 -9.595 607 HE21 GLN 72 1HE2 GLN 72 1.713 13.524 -8.162 608 HE22 GLN 72 2HE2 GLN 72 2.238 15.146 -8.443 609 H ARG 73 H ARG 73 -4.960 13.957 -8.813 610 HA ARG 73 HA ARG 73 -6.300 16.441 -9.583 611 HB2 ARG 73 1HB ARG 73 -5.815 14.080 -11.333 612 HB3 ARG 73 2HB ARG 73 -7.370 14.890 -11.460 613 HG2 ARG 73 1HG ARG 73 -4.748 16.340 -11.684 614 HG3 ARG 73 2HG ARG 73 -5.597 15.649 -13.069 615 HD2 ARG 73 1HD ARG 73 -7.025 17.491 -11.196 616 HD3 ARG 73 2HD ARG 73 -5.961 18.148 -12.439 617 HE ARG 73 HE ARG 73 -7.689 16.330 -13.660 618 HH11 ARG 73 2HH1 ARG 73 -7.825 19.404 -12.032 619 HH12 ARG 73 1HH1 ARG 73 -9.217 19.952 -12.905 620 HH21 ARG 73 2HH2 ARG 73 -9.522 17.040 -14.816 621 HH22 ARG 73 1HH2 ARG 73 -10.183 18.606 -14.488 622 H ARG 74 H ARG 74 -8.547 16.421 -9.318 623 HA ARG 74 HA ARG 74 -9.656 14.035 -7.998 624 HB2 ARG 74 1HB ARG 74 -10.988 15.666 -6.572 625 HB3 ARG 74 2HB ARG 74 -9.275 15.523 -6.203 626 HG2 ARG 74 1HG ARG 74 -9.461 17.780 -6.171 627 HG3 ARG 74 2HG ARG 74 -9.123 17.560 -7.889 628 HD2 ARG 74 1HD ARG 74 -10.951 18.985 -7.907 629 HD3 ARG 74 2HD ARG 74 -11.692 17.401 -8.130 630 HE ARG 74 HE ARG 74 -11.804 17.694 -5.470 631 HH11 ARG 74 2HH1 ARG 74 -12.673 19.830 -8.078 632 HH12 ARG 74 1HH1 ARG 74 -13.932 20.618 -7.187 633 HH21 ARG 74 2HH2 ARG 74 -13.459 18.724 -4.286 634 HH22 ARG 74 1HH2 ARG 74 -14.378 19.989 -5.029 635 H ASN 75 H ASN 75 -11.763 13.526 -8.471 636 HA ASN 75 HA ASN 75 -12.811 14.211 -10.934 637 HB2 ASN 75 1HB ASN 75 -14.950 13.236 -10.102 638 HB3 ASN 75 2HB ASN 75 -13.548 12.221 -9.774 639 HD21 ASN 75 1HD2 ASN 75 -15.755 14.560 -8.352 640 HD22 ASN 75 2HD2 ASN 75 -15.590 14.002 -6.725 641 H ASP 76 H ASP 76 -14.203 15.727 -11.696 642 HA ASP 76 HA ASP 76 -15.174 17.745 -9.781 643 HB2 ASP 76 1HB ASP 76 -14.795 19.472 -11.475 644 HB3 ASP 76 2HB ASP 76 -13.293 18.634 -11.092 645 HA PRO 77 HA PRO 77 -19.190 17.052 -11.423 646 HB2 PRO 77 1HB PRO 77 -20.323 19.472 -10.942 647 HB3 PRO 77 2HB PRO 77 -19.974 18.303 -9.663 648 HG2 PRO 77 1HG PRO 77 -18.410 20.712 -10.507 649 HG3 PRO 77 2HG PRO 77 -18.785 20.139 -8.872 650 HD2 PRO 77 1HD PRO 77 -16.386 19.708 -10.052 651 HD3 PRO 77 2HD PRO 77 -17.105 18.561 -8.903 652 H SER 78 H SER 78 -18.500 16.845 -13.644 653 HA SER 78 HA SER 78 -18.486 19.241 -15.286 654 HB2 SER 78 1HB SER 78 -17.769 16.379 -15.682 655 HB3 SER 78 2HB SER 78 -18.278 17.288 -17.104 656 HG SER 78 HG SER 78 -16.115 17.833 -15.361 657 H GLY 79 H GLY 79 -20.162 19.982 -16.427 658 HA2 GLY 79 1HA GLY 79 -22.739 18.766 -16.132 659 HA3 GLY 79 2HA GLY 79 -22.368 20.210 -17.064 660 HA PRO 80 HA PRO 80 -22.531 18.051 -20.876 661 HB2 PRO 80 1HB PRO 80 -20.207 18.619 -22.159 662 HB3 PRO 80 2HB PRO 80 -21.487 19.814 -21.915 663 HG2 PRO 80 1HG PRO 80 -18.960 19.402 -20.364 664 HG3 PRO 80 2HG PRO 80 -19.705 20.917 -20.906 665 HD2 PRO 80 1HD PRO 80 -19.943 20.003 -18.368 666 HD3 PRO 80 2HD PRO 80 -21.220 20.939 -19.169 667 H SER 81 H SER 81 -22.488 15.924 -19.902 668 HA SER 81 HA SER 81 -19.944 14.506 -20.354 669 HB2 SER 81 1HB SER 81 -20.585 12.936 -18.598 670 HB3 SER 81 2HB SER 81 -20.600 14.582 -17.965 671 HG SER 81 HG SER 81 -22.483 13.681 -17.296 672 H SER 82 H SER 82 -23.478 14.107 -20.341 673 HA SER 82 HA SER 82 -23.495 11.650 -21.731 674 HB2 SER 82 1HB SER 82 -25.389 12.774 -20.375 675 HB3 SER 82 2HB SER 82 -25.746 13.644 -21.866 676 HG SER 82 HG SER 82 -26.452 11.849 -22.767 677 H GLY 83 H GLY 83 -23.555 11.151 -23.864 678 HA2 GLY 83 1HA GLY 83 -23.478 11.423 -26.148 679 HA3 GLY 83 2HA GLY 83 -24.156 13.028 -25.918
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