NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612110 | 5wqz | 36037 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.327 -1.026 -1.486 3 HB2 MET 1 HB2 MET 1 0.910 1.576 -2.070 4 HB3 MET 1 HB3 MET 1 1.891 0.714 -3.248 5 HG2 MET 1 HG2 MET 1 0.374 -0.992 -3.472 6 HG3 MET 1 HG3 MET 1 -0.325 -0.723 -1.877 7 HE1 MET 1 HE1 MET 1 -2.449 -0.390 -1.780 8 HE2 MET 1 HE2 MET 1 -3.493 0.711 -2.680 9 HE3 MET 1 HE3 MET 1 -3.039 -0.843 -3.380 10 H SER 2 H SER 2 2.452 2.199 -0.037 11 HA SER 2 HA SER 2 5.320 2.106 0.067 12 HB2 SER 2 HB2 SER 2 4.151 4.375 -1.538 13 HB3 SER 2 HB3 SER 2 5.843 3.906 -1.377 14 HG SER 2 HG SER 2 3.945 2.998 -3.106 15 H GLN 3 H GLN 3 5.986 4.645 0.598 16 HA GLN 3 HA GLN 3 4.088 5.591 2.632 17 HB2 GLN 3 HB2 GLN 3 5.805 4.241 3.754 18 HB3 GLN 3 HB3 GLN 3 7.064 5.237 3.035 19 HG2 GLN 3 HG2 GLN 3 6.443 5.713 5.445 20 HG3 GLN 3 HG3 GLN 3 6.510 7.089 4.345 21 HE21 GLN 3 HE21 GLN 3 4.999 8.482 4.892 22 HE22 GLN 3 HE22 GLN 3 3.363 8.105 5.297 23 H ASN 4 H ASN 4 3.534 7.585 2.074 24 HA ASN 4 HA ASN 4 5.146 9.220 0.374 25 HB2 ASN 4 HB2 ASN 4 3.361 10.963 0.925 26 HB3 ASN 4 HB3 ASN 4 2.808 9.491 0.133 27 HD21 ASN 4 HD21 ASN 4 0.720 10.081 0.973 28 HD22 ASN 4 HD22 ASN 4 0.308 9.671 2.600 29 H ARG 5 H ARG 5 7.091 9.261 1.697 30 HA ARG 5 HA ARG 5 7.342 11.670 3.149 31 HB2 ARG 5 HB2 ARG 5 6.204 10.352 4.897 32 HB3 ARG 5 HB3 ARG 5 7.478 9.143 4.803 33 HG2 ARG 5 HG2 ARG 5 9.105 10.911 5.473 34 HG3 ARG 5 HG3 ARG 5 7.734 11.991 5.736 35 HD2 ARG 5 HD2 ARG 5 8.109 9.326 7.097 36 HD3 ARG 5 HD3 ARG 5 8.541 10.882 7.805 37 HE ARG 5 HE ARG 5 5.845 10.926 6.988 38 HH11 ARG 5 HH11 ARG 5 7.919 9.533 9.412 39 HH12 ARG 5 HH12 ARG 5 6.665 9.407 10.600 40 HH21 ARG 5 HH21 ARG 5 4.184 10.765 8.544 41 HH22 ARG 5 HH22 ARG 5 4.540 10.107 10.105 42 H GLN 6 H GLN 6 8.917 8.534 3.716 43 HA GLN 6 HA GLN 6 11.304 9.539 2.331 44 HB2 GLN 6 HB2 GLN 6 12.722 9.168 4.094 45 HB3 GLN 6 HB3 GLN 6 11.273 9.644 4.971 46 HG2 GLN 6 HG2 GLN 6 12.250 6.838 4.496 47 HG3 GLN 6 HG3 GLN 6 12.271 7.725 6.019 48 HE21 GLN 6 HE21 GLN 6 10.897 5.211 4.915 49 HE22 GLN 6 HE22 GLN 6 9.261 5.392 5.437 50 H LEU 7 H LEU 7 12.746 7.896 1.568 51 HA LEU 7 HA LEU 7 11.394 5.312 1.165 52 HB2 LEU 7 HB2 LEU 7 12.981 7.073 -0.579 53 HB3 LEU 7 HB3 LEU 7 13.335 5.352 -0.723 54 HG LEU 7 HG LEU 7 11.598 6.427 -2.308 55 HD11 LEU 7 HD11 LEU 7 11.734 4.173 -2.575 56 HD12 LEU 7 HD12 LEU 7 10.113 4.275 -1.888 57 HD13 LEU 7 HD13 LEU 7 11.480 3.840 -0.862 58 HD21 LEU 7 HD21 LEU 7 9.692 5.824 -0.084 59 HD22 LEU 7 HD22 LEU 7 9.438 6.767 -1.552 60 HD23 LEU 7 HD23 LEU 7 10.407 7.429 -0.235 61 H LEU 8 H LEU 8 12.275 3.562 2.041 62 HA LEU 8 HA LEU 8 14.439 3.567 3.751 63 HB2 LEU 8 HB2 LEU 8 12.593 1.784 3.271 64 HB3 LEU 8 HB3 LEU 8 13.798 1.113 2.173 65 HG LEU 8 HG LEU 8 13.797 -0.020 4.343 66 HD11 LEU 8 HD11 LEU 8 16.116 -0.102 4.614 67 HD12 LEU 8 HD12 LEU 8 16.323 1.586 4.151 68 HD13 LEU 8 HD13 LEU 8 15.891 0.386 2.934 69 HD21 LEU 8 HD21 LEU 8 13.183 2.266 5.499 70 HD22 LEU 8 HD22 LEU 8 14.934 2.390 5.667 71 HD23 LEU 8 HD23 LEU 8 14.077 1.015 6.364 72 H TYR 9 H TYR 9 14.490 1.951 0.572 73 HA TYR 9 HA TYR 9 16.827 3.190 -0.361 74 HB2 TYR 9 HB2 TYR 9 17.582 1.657 1.665 75 HB3 TYR 9 HB3 TYR 9 17.502 0.394 0.441 76 HD1 TYR 9 HD1 TYR 9 18.818 3.890 0.708 77 HD2 TYR 9 HD2 TYR 9 19.492 -0.103 -0.597 78 HE1 TYR 9 HE1 TYR 9 21.051 4.536 -0.094 79 HE2 TYR 9 HE2 TYR 9 21.728 0.531 -1.402 80 HH TYR 9 HH TYR 9 23.122 3.636 -0.696 81 HA PRO 10 HA PRO 10 14.340 0.680 -3.362 82 HB2 PRO 10 HB2 PRO 10 14.042 2.699 -5.151 83 HB3 PRO 10 HB3 PRO 10 12.947 2.457 -3.785 84 HG2 PRO 10 HG2 PRO 10 15.243 4.359 -4.059 85 HG3 PRO 10 HG3 PRO 10 13.631 4.641 -3.374 86 HD2 PRO 10 HD2 PRO 10 15.810 4.186 -1.832 87 HD3 PRO 10 HD3 PRO 10 14.180 3.668 -1.358 88 H ARG 11 H ARG 11 15.610 -0.627 -4.513 89 HA ARG 11 HA ARG 11 17.101 0.194 -6.724 90 HB2 ARG 11 HB2 ARG 11 19.404 -0.436 -5.792 91 HB3 ARG 11 HB3 ARG 11 18.761 1.143 -5.363 92 HG2 ARG 11 HG2 ARG 11 18.722 0.659 -3.186 93 HG3 ARG 11 HG3 ARG 11 18.045 -0.947 -3.463 94 HD2 ARG 11 HD2 ARG 11 20.508 -1.380 -4.381 95 HD3 ARG 11 HD3 ARG 11 20.872 -0.078 -3.249 96 HE ARG 11 HE ARG 11 19.290 -1.912 -1.896 97 HH11 ARG 11 HH11 ARG 11 22.421 -1.817 -3.416 98 HH12 ARG 11 HH12 ARG 11 23.112 -3.009 -2.365 99 HH21 ARG 11 HH21 ARG 11 20.189 -3.481 -0.506 100 HH22 ARG 11 HH22 ARG 11 21.841 -3.955 -0.711 101 H GLU 12 H GLU 12 16.706 -2.180 -4.159 102 HA GLU 12 HA GLU 12 17.836 -4.406 -5.384 103 HB2 GLU 12 HB2 GLU 12 16.854 -4.121 -3.004 104 HB3 GLU 12 HB3 GLU 12 15.330 -4.601 -3.738 105 HG2 GLU 12 HG2 GLU 12 17.048 -6.525 -4.647 106 HG3 GLU 12 HG3 GLU 12 17.656 -6.203 -3.024 107 H GLU 13 H GLU 13 14.810 -2.800 -5.983 108 HA GLU 13 HA GLU 13 13.716 -4.967 -7.549 109 HB2 GLU 13 HB2 GLU 13 11.875 -3.410 -8.018 110 HB3 GLU 13 HB3 GLU 13 12.211 -3.516 -6.295 111 HG2 GLU 13 HG2 GLU 13 13.486 -1.417 -6.439 112 HG3 GLU 13 HG3 GLU 13 13.062 -1.301 -8.146 113 H MET 14 H MET 14 15.256 -1.846 -8.138 114 HA MET 14 HA MET 14 14.848 -1.543 -10.842 115 HB2 MET 14 HB2 MET 14 16.951 -0.707 -8.938 116 HB3 MET 14 HB3 MET 14 17.396 -0.658 -10.639 117 HG2 MET 14 HG2 MET 14 16.552 1.422 -10.477 118 HG3 MET 14 HG3 MET 14 15.042 0.573 -10.798 119 HE1 MET 14 HE1 MET 14 16.834 2.379 -7.206 120 HE2 MET 14 HE2 MET 14 17.094 2.661 -8.927 121 HE3 MET 14 HE3 MET 14 15.829 3.542 -8.071 122 H VAL 15 H VAL 15 17.465 -3.362 -9.258 123 HA VAL 15 HA VAL 15 18.745 -4.236 -11.593 124 HB VAL 15 HB VAL 15 19.693 -6.049 -10.184 125 HG11 VAL 15 HG11 VAL 15 20.446 -3.571 -10.219 126 HG12 VAL 15 HG12 VAL 15 19.778 -3.520 -8.587 127 HG13 VAL 15 HG13 VAL 15 21.082 -4.644 -8.973 128 HG21 VAL 15 HG21 VAL 15 17.676 -6.440 -8.815 129 HG22 VAL 15 HG22 VAL 15 19.124 -6.198 -7.838 130 HG23 VAL 15 HG23 VAL 15 17.948 -4.895 -8.010 131 H SER 16 H SER 16 15.914 -5.412 -9.928 132 HA SER 16 HA SER 16 15.755 -7.992 -10.984 133 HB2 SER 16 HB2 SER 16 14.202 -6.472 -9.302 134 HB3 SER 16 HB3 SER 16 13.169 -6.624 -10.723 135 HG SER 16 HG SER 16 13.043 -8.746 -10.432 136 H LEU 17 H LEU 17 14.301 -4.977 -12.199 137 HA LEU 17 HA LEU 17 13.092 -6.031 -14.475 138 HB2 LEU 17 HB2 LEU 17 14.309 -3.293 -14.145 139 HB3 LEU 17 HB3 LEU 17 13.115 -3.759 -15.355 140 HG LEU 17 HG LEU 17 11.713 -2.772 -13.880 141 HD11 LEU 17 HD11 LEU 17 10.545 -4.362 -12.588 142 HD12 LEU 17 HD12 LEU 17 11.986 -5.352 -12.361 143 HD13 LEU 17 HD13 LEU 17 11.225 -5.253 -13.949 144 HD21 LEU 17 HD21 LEU 17 13.974 -3.056 -12.096 145 HD22 LEU 17 HD22 LEU 17 12.444 -3.335 -11.263 146 HD23 LEU 17 HD23 LEU 17 12.712 -1.823 -12.133 147 H VAL 18 H VAL 18 16.150 -4.189 -14.419 148 HA VAL 18 HA VAL 18 16.971 -4.688 -16.997 149 HB VAL 18 HB VAL 18 18.105 -3.137 -15.422 150 HG11 VAL 18 HG11 VAL 18 19.329 -5.662 -14.313 151 HG12 VAL 18 HG12 VAL 18 19.807 -4.015 -13.897 152 HG13 VAL 18 HG13 VAL 18 18.197 -4.602 -13.474 153 HG21 VAL 18 HG21 VAL 18 20.118 -3.230 -16.531 154 HG22 VAL 18 HG22 VAL 18 20.212 -4.989 -16.434 155 HG23 VAL 18 HG23 VAL 18 19.113 -4.226 -17.584 156 H ARG 19 H ARG 19 17.154 -6.783 -14.199 157 HA ARG 19 HA ARG 19 18.946 -8.685 -15.317 158 HB2 ARG 19 HB2 ARG 19 17.121 -8.592 -12.962 159 HB3 ARG 19 HB3 ARG 19 17.688 -10.167 -13.501 160 HG2 ARG 19 HG2 ARG 19 19.768 -8.107 -13.231 161 HG3 ARG 19 HG3 ARG 19 18.988 -8.609 -11.729 162 HD2 ARG 19 HD2 ARG 19 20.256 -10.454 -13.751 163 HD3 ARG 19 HD3 ARG 19 20.991 -9.943 -12.232 164 HE ARG 19 HE ARG 19 18.424 -11.184 -11.898 165 HH11 ARG 19 HH11 ARG 19 21.843 -11.745 -12.240 166 HH12 ARG 19 HH12 ARG 19 21.804 -13.280 -11.439 167 HH21 ARG 19 HH21 ARG 19 18.359 -13.204 -10.841 168 HH22 ARG 19 HH22 ARG 19 19.821 -14.110 -10.644 169 H SER 20 H SER 20 15.438 -8.358 -15.265 170 HA SER 20 HA SER 20 14.758 -10.883 -16.257 171 HB2 SER 20 HB2 SER 20 12.637 -10.082 -16.285 172 HB3 SER 20 HB3 SER 20 13.345 -8.691 -15.463 173 HG SER 20 HG SER 20 13.436 -7.608 -17.395 174 H LEU 21 H LEU 21 15.768 -7.945 -17.901 175 HA LEU 21 HA LEU 21 15.471 -9.257 -20.502 176 HB2 LEU 21 HB2 LEU 21 15.774 -7.096 -21.482 177 HB3 LEU 21 HB3 LEU 21 14.578 -6.973 -20.193 178 HG LEU 21 HG LEU 21 17.142 -6.351 -19.113 179 HD11 LEU 21 HD11 LEU 21 16.561 -4.318 -21.163 180 HD12 LEU 21 HD12 LEU 21 17.284 -5.817 -21.747 181 HD13 LEU 21 HD13 LEU 21 18.104 -4.868 -20.508 182 HD21 LEU 21 HD21 LEU 21 14.494 -5.056 -19.478 183 HD22 LEU 21 HD22 LEU 21 15.865 -4.035 -19.042 184 HD23 LEU 21 HD23 LEU 21 15.404 -5.383 -18.002 185 H ASP 22 H ASP 22 17.262 -8.912 -22.088 186 HA ASP 22 HA ASP 22 19.872 -8.262 -21.395 187 HB2 ASP 22 HB2 ASP 22 19.139 -10.628 -20.137 188 HB3 ASP 22 HB3 ASP 22 20.036 -11.166 -21.554 189 H ARG 23 H ARG 23 19.937 -7.458 -23.459 190 HA ARG 23 HA ARG 23 20.815 -9.159 -25.515 191 HB2 ARG 23 HB2 ARG 23 18.206 -9.516 -25.359 192 HB3 ARG 23 HB3 ARG 23 18.161 -8.006 -26.261 193 HG2 ARG 23 HG2 ARG 23 18.302 -9.294 -28.072 194 HG3 ARG 23 HG3 ARG 23 20.009 -9.458 -27.657 195 HD2 ARG 23 HD2 ARG 23 17.790 -11.316 -26.807 196 HD3 ARG 23 HD3 ARG 23 18.975 -11.634 -28.073 197 HE ARG 23 HE ARG 23 20.150 -11.053 -25.517 198 HH11 ARG 23 HH11 ARG 23 18.799 -13.540 -27.545 199 HH12 ARG 23 HH12 ARG 23 19.648 -14.827 -26.755 200 HH21 ARG 23 HH21 ARG 23 21.273 -12.739 -24.469 201 HH22 ARG 23 HH22 ARG 23 21.054 -14.371 -25.005 202 HA PRO 24 HA PRO 24 21.630 -4.567 -25.818 203 HB2 PRO 24 HB2 PRO 24 24.335 -4.780 -25.726 204 HB3 PRO 24 HB3 PRO 24 23.332 -4.643 -24.277 205 HG2 PRO 24 HG2 PRO 24 24.531 -7.085 -25.527 206 HG3 PRO 24 HG3 PRO 24 24.443 -6.633 -23.814 207 HD2 PRO 24 HD2 PRO 24 22.742 -8.413 -24.940 208 HD3 PRO 24 HD3 PRO 24 22.260 -7.341 -23.609 209 H GLN 25 H GLN 25 20.745 -5.183 -27.994 210 HA GLN 25 HA GLN 25 22.369 -6.247 -30.027 211 HB2 GLN 25 HB2 GLN 25 20.073 -4.306 -30.334 212 HB3 GLN 25 HB3 GLN 25 20.716 -5.368 -31.579 213 HG2 GLN 25 HG2 GLN 25 20.069 -7.042 -29.443 214 HG3 GLN 25 HG3 GLN 25 18.737 -5.893 -29.564 215 HE21 GLN 25 HE21 GLN 25 20.812 -7.816 -31.712 216 HE22 GLN 25 HE22 GLN 25 19.537 -8.342 -32.752 217 H GLU 26 H GLU 26 21.596 -2.866 -29.220 218 HA GLU 26 HA GLU 26 23.429 -1.829 -31.170 219 HB2 GLU 26 HB2 GLU 26 21.418 -0.773 -29.361 220 HB3 GLU 26 HB3 GLU 26 22.870 0.217 -29.361 221 HG2 GLU 26 HG2 GLU 26 21.806 1.215 -31.077 222 HG3 GLU 26 HG3 GLU 26 22.583 -0.076 -31.991 223 H ASN 27 H ASN 27 23.383 -1.997 -27.618 224 HA ASN 27 HA ASN 27 25.028 -1.753 -26.059 225 HB2 ASN 27 HB2 ASN 27 25.706 -3.860 -27.344 226 HB3 ASN 27 HB3 ASN 27 26.901 -2.851 -28.154 227 HD21 ASN 27 HD21 ASN 27 25.738 -3.332 -24.831 228 HD22 ASN 27 HD22 ASN 27 27.308 -3.469 -24.124 229 H GLY 28 H GLY 28 24.614 0.642 -26.841 230 HA2 GLY 28 HA2 GLY 28 27.200 1.896 -26.836 231 HA3 GLY 28 HA3 GLY 28 26.338 2.124 -28.351 232 H LEU 29 H LEU 29 23.713 2.266 -27.225 233 HA LEU 29 HA LEU 29 23.539 4.219 -25.192 234 HB2 LEU 29 HB2 LEU 29 24.453 5.784 -26.687 235 HB3 LEU 29 HB3 LEU 29 23.505 5.168 -28.039 236 HG LEU 29 HG LEU 29 22.012 6.353 -25.766 237 HD11 LEU 29 HD11 LEU 29 22.580 8.480 -27.506 238 HD12 LEU 29 HD12 LEU 29 24.132 7.761 -27.079 239 HD13 LEU 29 HD13 LEU 29 23.039 8.315 -25.811 240 HD21 LEU 29 HD21 LEU 29 20.388 6.621 -27.308 241 HD22 LEU 29 HD22 LEU 29 21.298 5.385 -28.176 242 HD23 LEU 29 HD23 LEU 29 21.520 7.088 -28.578 243 H PHE 30 H PHE 30 22.105 2.791 -28.072 244 HA PHE 30 HA PHE 30 19.419 3.419 -27.515 245 HB2 PHE 30 HB2 PHE 30 20.865 1.607 -29.327 246 HB3 PHE 30 HB3 PHE 30 19.252 1.057 -28.884 247 HD1 PHE 30 HD1 PHE 30 21.010 4.129 -30.057 248 HD2 PHE 30 HD2 PHE 30 17.464 1.775 -30.137 249 HE1 PHE 30 HE1 PHE 30 20.039 5.654 -31.726 250 HE2 PHE 30 HE2 PHE 30 16.488 3.296 -31.807 251 HZ PHE 30 HZ PHE 30 17.776 5.238 -32.604 252 H SER 31 H SER 31 21.568 1.270 -26.005 253 HA SER 31 HA SER 31 19.409 0.239 -24.341 254 HB2 SER 31 HB2 SER 31 21.412 -1.600 -25.672 255 HB3 SER 31 HB3 SER 31 20.156 -2.080 -24.531 256 HG SER 31 HG SER 31 18.899 -2.245 -26.192 257 H GLN 32 H GLN 32 21.877 2.026 -24.231 258 HA GLN 32 HA GLN 32 22.813 1.026 -21.667 259 HB2 GLN 32 HB2 GLN 32 24.369 0.763 -24.047 260 HB3 GLN 32 HB3 GLN 32 25.139 1.957 -23.012 261 HG2 GLN 32 HG2 GLN 32 26.078 -0.153 -22.489 262 HG3 GLN 32 HG3 GLN 32 25.026 0.302 -21.149 263 HE21 GLN 32 HE21 GLN 32 24.399 -1.165 -24.316 264 HE22 GLN 32 HE22 GLN 32 23.589 -2.562 -23.700 265 H ASP 33 H ASP 33 24.591 2.730 -20.865 266 HA ASP 33 HA ASP 33 23.297 5.349 -21.164 267 HB2 ASP 33 HB2 ASP 33 24.992 4.161 -18.968 268 HB3 ASP 33 HB3 ASP 33 24.584 5.874 -19.029 269 H VAL 34 H VAL 34 24.258 6.614 -22.610 270 HA VAL 34 HA VAL 34 26.830 6.326 -23.631 271 HB VAL 34 HB VAL 34 25.173 7.634 -24.807 272 HG11 VAL 34 HG11 VAL 34 25.237 10.112 -23.424 273 HG12 VAL 34 HG12 VAL 34 23.851 9.068 -23.748 274 HG13 VAL 34 HG13 VAL 34 24.792 8.854 -22.272 275 HG21 VAL 34 HG21 VAL 34 26.672 9.031 -25.749 276 HG22 VAL 34 HG22 VAL 34 27.077 9.798 -24.213 277 HG23 VAL 34 HG23 VAL 34 27.801 8.249 -24.642 278 H LEU 35 H LEU 35 25.742 7.849 -20.718 279 HA LEU 35 HA LEU 35 27.976 9.535 -20.275 280 HB2 LEU 35 HB2 LEU 35 25.555 9.150 -19.069 281 HB3 LEU 35 HB3 LEU 35 26.664 8.454 -17.890 282 HG LEU 35 HG LEU 35 26.651 11.287 -18.923 283 HD11 LEU 35 HD11 LEU 35 26.470 10.577 -16.053 284 HD12 LEU 35 HD12 LEU 35 25.046 10.293 -17.053 285 HD13 LEU 35 HD13 LEU 35 25.737 11.912 -16.942 286 HD21 LEU 35 HD21 LEU 35 28.945 10.483 -18.629 287 HD22 LEU 35 HD22 LEU 35 28.554 9.970 -16.987 288 HD23 LEU 35 HD23 LEU 35 28.517 11.683 -17.408 289 H LEU 36 H LEU 36 27.652 6.182 -20.215 290 HA LEU 36 HA LEU 36 29.936 5.858 -18.394 291 HB2 LEU 36 HB2 LEU 36 27.791 3.988 -19.338 292 HB3 LEU 36 HB3 LEU 36 29.283 3.383 -18.623 293 HG LEU 36 HG LEU 36 28.730 4.758 -16.583 294 HD11 LEU 36 HD11 LEU 36 26.557 5.560 -18.310 295 HD12 LEU 36 HD12 LEU 36 27.099 6.252 -16.781 296 HD13 LEU 36 HD13 LEU 36 25.966 4.900 -16.785 297 HD21 LEU 36 HD21 LEU 36 28.359 2.317 -16.759 298 HD22 LEU 36 HD22 LEU 36 26.721 2.636 -17.327 299 HD23 LEU 36 HD23 LEU 36 27.199 3.120 -15.700 300 H GLN 37 H GLN 37 30.071 6.794 -21.196 301 HA GLN 37 HA GLN 37 31.477 4.566 -22.482 302 HB2 GLN 37 HB2 GLN 37 30.743 7.254 -23.650 303 HB3 GLN 37 HB3 GLN 37 31.357 5.859 -24.527 304 HG2 GLN 37 HG2 GLN 37 28.779 5.766 -22.999 305 HG3 GLN 37 HG3 GLN 37 28.865 6.334 -24.666 306 HE21 GLN 37 HE21 GLN 37 27.332 4.166 -23.974 307 HE22 GLN 37 HE22 GLN 37 28.021 2.732 -24.649 308 H TYR 38 H TYR 38 32.006 8.088 -22.447 309 HA TYR 38 HA TYR 38 34.616 7.816 -21.275 310 HB2 TYR 38 HB2 TYR 38 34.277 8.175 -24.217 311 HB3 TYR 38 HB3 TYR 38 35.575 9.054 -23.417 312 HD1 TYR 38 HD1 TYR 38 36.676 7.272 -21.493 313 HD2 TYR 38 HD2 TYR 38 35.125 6.354 -25.347 314 HE1 TYR 38 HE1 TYR 38 38.093 5.264 -21.578 315 HE2 TYR 38 HE2 TYR 38 36.538 4.343 -25.443 316 HH TYR 38 HH TYR 38 38.009 3.074 -24.375 317 HA PRO 39 HA PRO 39 33.866 11.977 -20.102 318 HB2 PRO 39 HB2 PRO 39 36.389 12.969 -19.950 319 HB3 PRO 39 HB3 PRO 39 35.735 11.823 -18.774 320 HG2 PRO 39 HG2 PRO 39 37.522 11.315 -21.121 321 HG3 PRO 39 HG3 PRO 39 37.615 10.650 -19.480 322 HD2 PRO 39 HD2 PRO 39 36.570 9.262 -21.557 323 HD3 PRO 39 HD3 PRO 39 35.986 9.073 -19.891 324 H GLU 40 H GLU 40 32.848 12.427 -22.227 325 HA GLU 40 HA GLU 40 33.881 14.770 -23.382 326 HB2 GLU 40 HB2 GLU 40 34.143 13.742 -25.741 327 HB3 GLU 40 HB3 GLU 40 35.474 13.589 -24.603 328 HG2 GLU 40 HG2 GLU 40 33.756 11.355 -24.264 329 HG3 GLU 40 HG3 GLU 40 34.088 11.549 -25.984 330 H LEU 41 H LEU 41 31.792 11.968 -23.710 331 HA LEU 41 HA LEU 41 29.804 13.620 -25.108 332 HB2 LEU 41 HB2 LEU 41 28.685 11.391 -25.523 333 HB3 LEU 41 HB3 LEU 41 30.212 11.678 -26.355 334 HG LEU 41 HG LEU 41 29.773 9.358 -25.327 335 HD11 LEU 41 HD11 LEU 41 32.108 10.904 -25.719 336 HD12 LEU 41 HD12 LEU 41 31.933 9.150 -25.764 337 HD13 LEU 41 HD13 LEU 41 32.335 9.957 -24.249 338 HD21 LEU 41 HD21 LEU 41 30.343 9.096 -23.005 339 HD22 LEU 41 HD22 LEU 41 29.011 10.245 -23.141 340 HD23 LEU 41 HD23 LEU 41 30.650 10.826 -22.844 341 H ALA 42 H ALA 42 30.573 13.039 -22.076 342 HA ALA 42 HA ALA 42 28.349 11.949 -20.804 343 HB1 ALA 42 HB1 ALA 42 30.148 14.142 -19.778 344 HB2 ALA 42 HB2 ALA 42 29.111 13.099 -18.804 345 HB3 ALA 42 HB3 ALA 42 30.479 12.412 -19.679 346 H GLU 43 H GLU 43 28.883 15.160 -22.098 347 HA GLU 43 HA GLU 43 26.624 16.368 -20.841 348 HB2 GLU 43 HB2 GLU 43 28.434 17.152 -23.106 349 HB3 GLU 43 HB3 GLU 43 26.996 18.094 -22.739 350 HG2 GLU 43 HG2 GLU 43 27.885 18.254 -20.369 351 HG3 GLU 43 HG3 GLU 43 29.402 17.627 -21.011 352 H SER 44 H SER 44 27.235 15.085 -24.096 353 HA SER 44 HA SER 44 24.815 15.691 -25.287 354 HB2 SER 44 HB2 SER 44 25.525 14.371 -26.998 355 HB3 SER 44 HB3 SER 44 27.037 14.363 -26.090 356 HG SER 44 HG SER 44 26.498 12.385 -25.236 357 H TYR 45 H TYR 45 25.568 13.237 -22.939 358 HA TYR 45 HA TYR 45 23.502 11.442 -23.248 359 HB2 TYR 45 HB2 TYR 45 25.228 11.041 -21.622 360 HB3 TYR 45 HB3 TYR 45 24.777 12.479 -20.712 361 HD1 TYR 45 HD1 TYR 45 22.610 9.793 -22.117 362 HD2 TYR 45 HD2 TYR 45 24.125 11.686 -18.621 363 HE1 TYR 45 HE1 TYR 45 21.095 8.437 -20.733 364 HE2 TYR 45 HE2 TYR 45 22.616 10.334 -17.227 365 HH TYR 45 HH TYR 45 21.038 8.778 -17.196 366 H THR 46 H THR 46 23.435 14.657 -21.852 367 HA THR 46 HA THR 46 20.820 14.452 -20.736 368 HB THR 46 HB THR 46 20.933 16.816 -20.358 369 HG1 THR 46 HG1 THR 46 23.235 16.888 -22.036 370 HG21 THR 46 HG21 THR 46 22.816 16.936 -18.988 371 HG22 THR 46 HG22 THR 46 23.800 15.976 -20.091 372 HG23 THR 46 HG23 THR 46 22.540 15.201 -19.132 373 H LYS 47 H LYS 47 22.118 15.673 -23.788 374 HA LYS 47 HA LYS 47 19.768 16.814 -24.798 375 HB2 LYS 47 HB2 LYS 47 21.855 17.283 -25.871 376 HB3 LYS 47 HB3 LYS 47 22.145 15.578 -26.189 377 HG2 LYS 47 HG2 LYS 47 19.695 16.773 -27.344 378 HG3 LYS 47 HG3 LYS 47 21.244 17.249 -28.044 379 HD2 LYS 47 HD2 LYS 47 21.207 14.414 -27.638 380 HD3 LYS 47 HD3 LYS 47 19.765 14.899 -28.533 381 HE2 LYS 47 HE2 LYS 47 22.347 16.087 -29.372 382 HE3 LYS 47 HE3 LYS 47 22.100 14.376 -29.718 383 HZ1 LYS 47 HZ1 LYS 47 21.171 16.506 -31.187 384 HZ2 LYS 47 HZ2 LYS 47 19.801 15.900 -30.401 385 HZ3 LYS 47 HZ3 LYS 47 20.737 14.882 -31.374 386 H VAL 48 H VAL 48 20.896 13.497 -24.735 387 HA VAL 48 HA VAL 48 18.654 12.610 -26.383 388 HB VAL 48 HB VAL 48 20.675 10.794 -25.099 389 HG11 VAL 48 HG11 VAL 48 19.505 9.257 -26.192 390 HG12 VAL 48 HG12 VAL 48 18.489 10.499 -26.928 391 HG13 VAL 48 HG13 VAL 48 19.993 10.010 -27.710 392 HG21 VAL 48 HG21 VAL 48 21.976 11.004 -27.236 393 HG22 VAL 48 HG22 VAL 48 20.998 12.424 -27.611 394 HG23 VAL 48 HG23 VAL 48 22.037 12.420 -26.186 395 H CYS 49 H CYS 49 18.538 13.667 -23.511 396 HA CYS 49 HA CYS 49 17.253 13.298 -21.672 397 HB2 CYS 49 HB2 CYS 49 16.097 10.928 -23.143 398 HB3 CYS 49 HB3 CYS 49 15.351 11.852 -21.845 399 HG CYS 49 HG CYS 49 14.103 12.340 -24.362 400 HA PRO 50 HA PRO 50 19.418 10.370 -19.224 401 HB2 PRO 50 HB2 PRO 50 17.683 10.026 -17.165 402 HB3 PRO 50 HB3 PRO 50 18.628 11.503 -17.388 403 HG2 PRO 50 HG2 PRO 50 15.776 10.951 -18.112 404 HG3 PRO 50 HG3 PRO 50 16.480 12.395 -17.362 405 HD2 PRO 50 HD2 PRO 50 15.872 12.273 -19.998 406 HD3 PRO 50 HD3 PRO 50 17.232 13.228 -19.376 407 H ASN 51 H ASN 51 19.050 8.747 -21.006 408 HA ASN 51 HA ASN 51 18.619 6.592 -21.598 409 HB2 ASN 51 HB2 ASN 51 17.370 6.184 -18.883 410 HB3 ASN 51 HB3 ASN 51 18.138 4.983 -19.918 411 HD21 ASN 51 HD21 ASN 51 20.462 6.160 -20.613 412 HD22 ASN 51 HD22 ASN 51 21.440 6.436 -19.216 413 H ARG 52 H ARG 52 17.066 5.894 -22.917 414 HA ARG 52 HA ARG 52 14.260 6.325 -22.186 415 HB2 ARG 52 HB2 ARG 52 15.118 8.172 -23.701 416 HB3 ARG 52 HB3 ARG 52 15.314 6.944 -24.944 417 HG2 ARG 52 HG2 ARG 52 12.685 6.748 -23.856 418 HG3 ARG 52 HG3 ARG 52 13.008 8.425 -24.303 419 HD2 ARG 52 HD2 ARG 52 13.662 6.172 -26.169 420 HD3 ARG 52 HD3 ARG 52 12.029 6.829 -26.079 421 HE ARG 52 HE ARG 52 13.518 9.038 -26.436 422 HH11 ARG 52 HH11 ARG 52 13.425 5.977 -28.093 423 HH12 ARG 52 HH12 ARG 52 13.901 6.642 -29.620 424 HH21 ARG 52 HH21 ARG 52 14.145 9.925 -28.442 425 HH22 ARG 52 HH22 ARG 52 14.311 8.887 -29.817 426 H CYS 53 H CYS 53 16.001 3.972 -22.241 427 HA CYS 53 HA CYS 53 14.705 2.413 -24.375 428 HB2 CYS 53 HB2 CYS 53 17.102 2.325 -24.573 429 HB3 CYS 53 HB3 CYS 53 17.278 1.929 -22.868 430 HG CYS 53 HG CYS 53 16.992 -0.090 -25.415 431 H ASP 54 H ASP 54 16.184 1.430 -21.304 432 HA ASP 54 HA ASP 54 13.864 0.908 -19.864 433 HB2 ASP 54 HB2 ASP 54 14.463 -1.087 -21.910 434 HB3 ASP 54 HB3 ASP 54 14.359 -1.782 -20.294 435 H LEU 55 H LEU 55 16.741 -1.078 -20.581 436 HA LEU 55 HA LEU 55 17.297 -1.551 -17.833 437 HB2 LEU 55 HB2 LEU 55 19.379 -2.550 -18.639 438 HB3 LEU 55 HB3 LEU 55 17.974 -3.130 -19.530 439 HG LEU 55 HG LEU 55 19.372 -0.856 -20.764 440 HD11 LEU 55 HD11 LEU 55 21.422 -1.705 -20.421 441 HD12 LEU 55 HD12 LEU 55 20.957 -2.846 -21.682 442 HD13 LEU 55 HD13 LEU 55 20.805 -3.298 -19.984 443 HD21 LEU 55 HD21 LEU 55 18.917 -3.414 -22.161 444 HD22 LEU 55 HD22 LEU 55 18.569 -1.762 -22.670 445 HD23 LEU 55 HD23 LEU 55 17.478 -2.590 -21.558 446 H ALA 56 H ALA 56 18.285 0.870 -20.134 447 HA ALA 56 HA ALA 56 20.506 1.849 -18.619 448 HB1 ALA 56 HB1 ALA 56 19.979 3.920 -20.197 449 HB2 ALA 56 HB2 ALA 56 20.773 2.462 -20.792 450 HB3 ALA 56 HB3 ALA 56 19.046 2.695 -21.057 451 H THR 57 H THR 57 17.081 2.563 -18.780 452 HA THR 57 HA THR 57 17.276 4.964 -17.204 453 HB THR 57 HB THR 57 14.864 3.319 -17.993 454 HG1 THR 57 HG1 THR 57 16.001 4.405 -19.713 455 HG21 THR 57 HG21 THR 57 13.899 4.470 -16.302 456 HG22 THR 57 HG22 THR 57 13.902 5.791 -17.469 457 HG23 THR 57 HG23 THR 57 15.179 5.682 -16.257 458 H ALA 58 H ALA 58 16.599 1.572 -16.632 459 HA ALA 58 HA ALA 58 15.756 1.980 -13.907 460 HB1 ALA 58 HB1 ALA 58 14.771 0.054 -14.471 461 HB2 ALA 58 HB2 ALA 58 15.921 -0.260 -15.771 462 HB3 ALA 58 HB3 ALA 58 16.330 -0.689 -14.110 463 H ALA 59 H ALA 59 18.625 0.608 -15.503 464 HA ALA 59 HA ALA 59 20.061 0.023 -13.161 465 HB1 ALA 59 HB1 ALA 59 21.072 0.659 -15.931 466 HB2 ALA 59 HB2 ALA 59 22.045 -0.028 -14.629 467 HB3 ALA 59 HB3 ALA 59 20.685 -0.938 -15.288 468 H ASP 60 H ASP 60 19.785 2.961 -15.072 469 HA ASP 60 HA ASP 60 21.896 4.366 -13.784 470 HB2 ASP 60 HB2 ASP 60 21.047 5.004 -16.006 471 HB3 ASP 60 HB3 ASP 60 19.502 5.446 -15.285 472 H ARG 61 H ARG 61 18.390 4.239 -13.308 473 HA ARG 61 HA ARG 61 18.087 6.237 -11.421 474 HB2 ARG 61 HB2 ARG 61 16.547 4.033 -12.391 475 HB3 ARG 61 HB3 ARG 61 16.425 4.070 -10.637 476 HG2 ARG 61 HG2 ARG 61 14.631 5.341 -11.653 477 HG3 ARG 61 HG3 ARG 61 15.702 6.403 -10.736 478 HD2 ARG 61 HD2 ARG 61 16.356 6.034 -13.591 479 HD3 ARG 61 HD3 ARG 61 14.873 6.921 -13.242 480 HE ARG 61 HE ARG 61 17.577 7.799 -12.774 481 HH11 ARG 61 HH11 ARG 61 14.226 8.203 -11.925 482 HH12 ARG 61 HH12 ARG 61 14.430 9.828 -11.357 483 HH21 ARG 61 HH21 ARG 61 17.860 9.937 -12.030 484 HH22 ARG 61 HH22 ARG 61 16.498 10.813 -11.419 485 H ALA 62 H ALA 62 19.076 2.873 -10.953 486 HA ALA 62 HA ALA 62 19.323 3.214 -8.089 487 HB1 ALA 62 HB1 ALA 62 20.581 0.823 -8.905 488 HB2 ALA 62 HB2 ALA 62 19.009 1.020 -8.128 489 HB3 ALA 62 HB3 ALA 62 19.128 1.009 -9.887 490 H ALA 63 H ALA 63 21.500 2.726 -10.852 491 HA ALA 63 HA ALA 63 23.922 2.613 -9.519 492 HB1 ALA 63 HB1 ALA 63 24.916 3.501 -11.621 493 HB2 ALA 63 HB2 ALA 63 23.802 2.155 -11.868 494 HB3 ALA 63 HB3 ALA 63 23.282 3.805 -12.212 495 H LYS 64 H LYS 64 21.855 5.343 -10.116 496 HA LYS 64 HA LYS 64 23.689 7.434 -9.786 497 HB2 LYS 64 HB2 LYS 64 20.736 7.149 -9.456 498 HB3 LYS 64 HB3 LYS 64 21.509 8.599 -8.830 499 HG2 LYS 64 HG2 LYS 64 21.703 7.624 -11.673 500 HG3 LYS 64 HG3 LYS 64 20.623 8.897 -11.100 501 HD2 LYS 64 HD2 LYS 64 23.639 8.931 -11.029 502 HD3 LYS 64 HD3 LYS 64 22.603 9.876 -12.100 503 HE2 LYS 64 HE2 LYS 64 21.590 10.887 -10.020 504 HE3 LYS 64 HE3 LYS 64 22.889 10.114 -9.112 505 HZ1 LYS 64 HZ1 LYS 64 24.464 11.319 -10.606 506 HZ2 LYS 64 HZ2 LYS 64 23.564 12.319 -9.579 507 HZ3 LYS 64 HZ3 LYS 64 23.147 12.190 -11.213 508 H GLY 65 H GLY 65 22.478 5.166 -7.536 509 HA2 GLY 65 HA2 GLY 65 23.675 4.972 -5.426 510 HA3 GLY 65 HA3 GLY 65 23.693 6.728 -5.346 511 H ALA 66 H ALA 66 20.779 5.300 -6.444 512 HA ALA 66 HA ALA 66 18.663 5.387 -5.585 513 HB1 ALA 66 HB1 ALA 66 19.581 3.340 -4.542 514 HB2 ALA 66 HB2 ALA 66 20.031 4.297 -3.130 515 HB3 ALA 66 HB3 ALA 66 18.332 4.114 -3.567 516 H TYR 67 H TYR 67 19.052 7.822 -5.644 517 HA TYR 67 HA TYR 67 19.691 9.396 -3.491 518 HB2 TYR 67 HB2 TYR 67 18.296 9.740 -5.974 519 HB3 TYR 67 HB3 TYR 67 17.449 10.624 -4.710 520 HD1 TYR 67 HD1 TYR 67 18.731 12.318 -3.348 521 HD2 TYR 67 HD2 TYR 67 20.321 10.548 -6.876 522 HE1 TYR 67 HE1 TYR 67 20.378 14.137 -3.512 523 HE2 TYR 67 HE2 TYR 67 21.973 12.362 -7.048 524 HH TYR 67 HH TYR 67 23.041 14.016 -5.673 525 H GLY 68 H GLY 68 16.742 7.593 -4.059 526 HA2 GLY 68 HA2 GLY 68 15.069 6.997 -2.592 527 HA3 GLY 68 HA3 GLY 68 16.019 7.718 -1.302 528 H TYR 69 H TYR 69 14.136 8.597 -0.366 529 HA TYR 69 HA TYR 69 12.542 10.176 0.016 530 HB2 TYR 69 HB2 TYR 69 14.721 11.543 -1.414 531 HB3 TYR 69 HB3 TYR 69 13.174 12.381 -1.471 532 HD1 TYR 69 HD1 TYR 69 11.975 12.032 1.079 533 HD2 TYR 69 HD2 TYR 69 16.102 12.506 0.159 534 HE1 TYR 69 HE1 TYR 69 12.370 12.922 3.337 535 HE2 TYR 69 HE2 TYR 69 16.509 13.397 2.415 536 HH TYR 69 HH TYR 69 15.197 14.524 4.212 537 H ASP 70 H ASP 70 10.771 9.182 -0.909 538 HA ASP 70 HA ASP 70 9.818 10.418 -3.367 539 HB2 ASP 70 HB2 ASP 70 10.962 7.905 -3.489 540 HB3 ASP 70 HB3 ASP 70 9.242 7.551 -3.350 541 H VAL 71 H VAL 71 7.733 10.948 -3.208 542 HA VAL 71 HA VAL 71 6.281 10.351 -0.818 543 HB VAL 71 HB VAL 71 6.111 12.510 -2.101 544 HG11 VAL 71 HG11 VAL 71 5.897 11.311 -4.328 545 HG12 VAL 71 HG12 VAL 71 4.212 11.020 -3.893 546 HG13 VAL 71 HG13 VAL 71 4.808 12.672 -4.058 547 HG21 VAL 71 HG21 VAL 71 4.514 11.953 -0.363 548 HG22 VAL 71 HG22 VAL 71 3.696 12.773 -1.694 549 HG23 VAL 71 HG23 VAL 71 3.551 11.024 -1.513 550 H GLN 72 H GLN 72 6.603 8.822 -3.842 551 HA GLN 72 HA GLN 72 5.027 6.620 -3.150 552 HB2 GLN 72 HB2 GLN 72 3.384 8.677 -3.834 553 HB3 GLN 72 HB3 GLN 72 3.609 7.902 -5.396 554 HG2 GLN 72 HG2 GLN 72 2.731 6.443 -2.918 555 HG3 GLN 72 HG3 GLN 72 1.621 7.127 -4.105 556 HE21 GLN 72 HE21 GLN 72 4.382 4.931 -3.826 557 HE22 GLN 72 HE22 GLN 72 3.860 3.838 -5.058 558 H LEU 73 H LEU 73 7.565 7.046 -4.226 559 HA LEU 73 HA LEU 73 8.979 6.389 -5.887 560 HB2 LEU 73 HB2 LEU 73 6.716 4.478 -6.447 561 HB3 LEU 73 HB3 LEU 73 8.368 4.310 -7.038 562 HG LEU 73 HG LEU 73 8.275 2.824 -5.258 563 HD11 LEU 73 HD11 LEU 73 9.186 5.206 -3.707 564 HD12 LEU 73 HD12 LEU 73 10.075 4.701 -5.144 565 HD13 LEU 73 HD13 LEU 73 9.878 3.586 -3.792 566 HD21 LEU 73 HD21 LEU 73 7.114 3.107 -3.242 567 HD22 LEU 73 HD22 LEU 73 6.040 3.775 -4.472 568 HD23 LEU 73 HD23 LEU 73 6.994 4.855 -3.454 569 H THR 74 H THR 74 7.573 8.641 -6.582 570 HA THR 74 HA THR 74 6.320 8.395 -9.138 571 HB THR 74 HB THR 74 7.495 10.931 -8.007 572 HG1 THR 74 HG1 THR 74 5.554 11.182 -6.879 573 HG21 THR 74 HG21 THR 74 5.821 10.242 -10.265 574 HG22 THR 74 HG22 THR 74 6.607 11.772 -9.876 575 HG23 THR 74 HG23 THR 74 5.022 11.399 -9.200 576 H THR 75 H THR 75 9.574 8.678 -8.049 577 HA THR 75 HA THR 75 10.748 9.853 -10.327 578 HB THR 75 HB THR 75 12.869 8.915 -9.525 579 HG1 THR 75 HG1 THR 75 11.210 7.523 -7.668 580 HG21 THR 75 HG21 THR 75 12.209 10.931 -8.452 581 HG22 THR 75 HG22 THR 75 12.776 9.850 -7.179 582 HG23 THR 75 HG23 THR 75 11.046 10.086 -7.430 583 H LEU 76 H LEU 76 10.373 6.438 -9.392 584 HA LEU 76 HA LEU 76 11.480 5.453 -11.834 585 HB2 LEU 76 HB2 LEU 76 10.216 4.302 -9.423 586 HB3 LEU 76 HB3 LEU 76 10.138 3.332 -10.892 587 HG LEU 76 HG LEU 76 12.814 4.205 -10.604 588 HD11 LEU 76 HD11 LEU 76 12.038 2.720 -8.138 589 HD12 LEU 76 HD12 LEU 76 11.911 4.478 -8.166 590 HD13 LEU 76 HD13 LEU 76 13.467 3.702 -8.461 591 HD21 LEU 76 HD21 LEU 76 13.251 2.022 -11.005 592 HD22 LEU 76 HD22 LEU 76 11.540 1.999 -11.431 593 HD23 LEU 76 HD23 LEU 76 12.058 1.453 -9.836 594 H LYS 77 H LYS 77 8.244 6.112 -10.647 595 HA LYS 77 HA LYS 77 6.858 4.820 -12.768 596 HB2 LYS 77 HB2 LYS 77 6.161 6.042 -10.362 597 HB3 LYS 77 HB3 LYS 77 5.420 7.056 -11.593 598 HG2 LYS 77 HG2 LYS 77 3.826 5.419 -10.950 599 HG3 LYS 77 HG3 LYS 77 4.398 4.996 -12.565 600 HD2 LYS 77 HD2 LYS 77 4.291 2.991 -11.254 601 HD3 LYS 77 HD3 LYS 77 5.990 3.395 -11.509 602 HE2 LYS 77 HE2 LYS 77 5.095 4.686 -9.134 603 HE3 LYS 77 HE3 LYS 77 4.615 2.991 -9.062 604 HZ1 LYS 77 HZ1 LYS 77 7.265 4.169 -8.996 605 HZ2 LYS 77 HZ2 LYS 77 7.120 2.767 -9.932 606 HZ3 LYS 77 HZ3 LYS 77 6.697 2.738 -8.295 607 H GLU 78 H GLU 78 8.157 8.042 -12.293 608 HA GLU 78 HA GLU 78 6.870 9.146 -14.616 609 HB2 GLU 78 HB2 GLU 78 7.432 10.582 -12.725 610 HB3 GLU 78 HB3 GLU 78 9.137 10.199 -12.917 611 HG2 GLU 78 HG2 GLU 78 9.303 11.412 -14.913 612 HG3 GLU 78 HG3 GLU 78 7.553 11.487 -15.110 613 H ASP 79 H ASP 79 9.769 7.409 -13.957 614 HA ASP 79 HA ASP 79 11.179 8.268 -16.313 615 HB2 ASP 79 HB2 ASP 79 11.697 6.499 -14.027 616 HB3 ASP 79 HB3 ASP 79 12.397 5.933 -15.541 617 H ILE 80 H ILE 80 9.416 5.351 -15.327 618 HA ILE 80 HA ILE 80 9.827 3.916 -17.722 619 HB ILE 80 HB ILE 80 9.117 2.781 -15.697 620 HG12 ILE 80 HG12 ILE 80 7.305 1.396 -16.646 621 HG13 ILE 80 HG13 ILE 80 7.028 2.618 -17.882 622 HG21 ILE 80 HG21 ILE 80 6.926 3.040 -14.745 623 HG22 ILE 80 HG22 ILE 80 7.694 4.624 -14.841 624 HG23 ILE 80 HG23 ILE 80 6.461 4.169 -16.017 625 HD11 ILE 80 HD11 ILE 80 9.564 1.040 -17.517 626 HD12 ILE 80 HD12 ILE 80 8.322 0.737 -18.732 627 HD13 ILE 80 HD13 ILE 80 9.253 2.235 -18.776 628 H ARG 81 H ARG 81 7.294 6.141 -16.677 629 HA ARG 81 HA ARG 81 5.624 5.732 -18.950 630 HB2 ARG 81 HB2 ARG 81 4.299 7.507 -18.114 631 HB3 ARG 81 HB3 ARG 81 4.915 6.664 -16.700 632 HG2 ARG 81 HG2 ARG 81 5.473 8.695 -15.971 633 HG3 ARG 81 HG3 ARG 81 6.828 8.566 -17.094 634 HD2 ARG 81 HD2 ARG 81 5.974 10.557 -17.790 635 HD3 ARG 81 HD3 ARG 81 5.015 9.475 -18.799 636 HE ARG 81 HE ARG 81 3.481 9.730 -16.606 637 HH11 ARG 81 HH11 ARG 81 5.073 12.062 -18.642 638 HH12 ARG 81 HH12 ARG 81 3.890 13.298 -18.373 639 HH21 ARG 81 HH21 ARG 81 1.917 11.350 -16.244 640 HH22 ARG 81 HH22 ARG 81 2.096 12.893 -17.008 641 H LEU 82 H LEU 82 8.314 7.830 -18.222 642 HA LEU 82 HA LEU 82 7.922 9.689 -20.324 643 HB2 LEU 82 HB2 LEU 82 9.359 10.081 -18.351 644 HB3 LEU 82 HB3 LEU 82 10.496 8.887 -18.974 645 HG LEU 82 HG LEU 82 11.050 11.358 -19.314 646 HD11 LEU 82 HD11 LEU 82 11.729 9.125 -20.690 647 HD12 LEU 82 HD12 LEU 82 12.409 10.725 -20.984 648 HD13 LEU 82 HD13 LEU 82 11.081 10.135 -21.982 649 HD21 LEU 82 HD21 LEU 82 9.043 11.068 -21.544 650 HD22 LEU 82 HD22 LEU 82 10.029 12.480 -21.166 651 HD23 LEU 82 HD23 LEU 82 8.754 11.974 -20.057 652 H MET 83 H MET 83 9.470 6.557 -20.123 653 HA MET 83 HA MET 83 10.848 6.722 -22.610 654 HB2 MET 83 HB2 MET 83 10.024 4.353 -20.926 655 HB3 MET 83 HB3 MET 83 11.024 4.231 -22.367 656 HG2 MET 83 HG2 MET 83 12.592 5.872 -21.213 657 HG3 MET 83 HG3 MET 83 11.675 5.529 -19.748 658 HE1 MET 83 HE1 MET 83 12.305 4.007 -18.178 659 HE2 MET 83 HE2 MET 83 11.411 2.683 -18.926 660 HE3 MET 83 HE3 MET 83 13.074 2.434 -18.395 661 H VAL 84 H VAL 84 7.873 5.017 -21.629 662 HA VAL 84 HA VAL 84 7.158 4.023 -24.124 663 HB VAL 84 HB VAL 84 6.023 3.292 -22.112 664 HG11 VAL 84 HG11 VAL 84 6.023 5.384 -20.877 665 HG12 VAL 84 HG12 VAL 84 4.860 6.074 -22.011 666 HG13 VAL 84 HG13 VAL 84 4.389 4.728 -20.973 667 HG21 VAL 84 HG21 VAL 84 3.708 4.513 -23.426 668 HG22 VAL 84 HG22 VAL 84 4.838 3.728 -24.530 669 HG23 VAL 84 HG23 VAL 84 4.121 2.813 -23.204 670 H ASN 85 H ASN 85 6.698 7.213 -22.744 671 HA ASN 85 HA ASN 85 4.819 8.196 -24.591 672 HB2 ASN 85 HB2 ASN 85 6.797 9.449 -22.728 673 HB3 ASN 85 HB3 ASN 85 5.995 10.460 -23.926 674 HD21 ASN 85 HD21 ASN 85 5.854 10.112 -20.901 675 HD22 ASN 85 HD22 ASN 85 4.158 10.028 -20.581 676 H ASN 86 H ASN 86 8.367 8.523 -24.526 677 HA ASN 86 HA ASN 86 8.463 9.776 -27.097 678 HB2 ASN 86 HB2 ASN 86 10.172 9.778 -25.043 679 HB3 ASN 86 HB3 ASN 86 10.882 8.458 -25.968 680 HD21 ASN 86 HD21 ASN 86 10.164 11.852 -25.898 681 HD22 ASN 86 HD22 ASN 86 11.172 12.300 -27.228 682 H CYS 87 H CYS 87 8.287 6.547 -26.000 683 HA CYS 87 HA CYS 87 9.670 5.205 -28.045 684 HB2 CYS 87 HB2 CYS 87 8.134 4.491 -25.800 685 HB3 CYS 87 HB3 CYS 87 7.354 3.719 -27.175 686 HG CYS 87 HG CYS 87 8.998 1.764 -27.365 687 H ILE 88 H ILE 88 6.126 5.427 -27.706 688 HA ILE 88 HA ILE 88 5.648 4.726 -30.411 689 HB ILE 88 HB ILE 88 3.328 5.258 -29.995 690 HG12 ILE 88 HG12 ILE 88 3.017 6.068 -27.424 691 HG13 ILE 88 HG13 ILE 88 4.501 6.915 -27.846 692 HG21 ILE 88 HG21 ILE 88 3.668 4.151 -27.383 693 HG22 ILE 88 HG22 ILE 88 3.157 3.355 -28.870 694 HG23 ILE 88 HG23 ILE 88 4.871 3.462 -28.472 695 HD11 ILE 88 HD11 ILE 88 3.319 8.467 -28.873 696 HD12 ILE 88 HD12 ILE 88 2.662 7.256 -29.974 697 HD13 ILE 88 HD13 ILE 88 1.833 7.613 -28.459 698 H LEU 89 H LEU 89 6.114 7.759 -28.754 699 HA LEU 89 HA LEU 89 5.059 9.444 -30.782 700 HB2 LEU 89 HB2 LEU 89 5.350 10.186 -28.476 701 HB3 LEU 89 HB3 LEU 89 7.097 10.020 -28.636 702 HG LEU 89 HG LEU 89 5.781 11.834 -30.562 703 HD11 LEU 89 HD11 LEU 89 4.522 12.637 -28.799 704 HD12 LEU 89 HD12 LEU 89 5.968 13.644 -28.717 705 HD13 LEU 89 HD13 LEU 89 5.775 12.287 -27.607 706 HD21 LEU 89 HD21 LEU 89 8.320 11.746 -28.966 707 HD22 LEU 89 HD22 LEU 89 7.806 13.211 -29.803 708 HD23 LEU 89 HD23 LEU 89 8.109 11.734 -30.717 709 H PHE 90 H PHE 90 8.465 9.028 -29.802 710 HA PHE 90 HA PHE 90 9.525 10.171 -32.142 711 HB2 PHE 90 HB2 PHE 90 10.748 9.894 -29.976 712 HB3 PHE 90 HB3 PHE 90 10.884 8.174 -30.325 713 HD1 PHE 90 HD1 PHE 90 11.972 11.537 -31.311 714 HD2 PHE 90 HD2 PHE 90 12.444 7.353 -31.939 715 HE1 PHE 90 HE1 PHE 90 14.035 11.963 -32.582 716 HE2 PHE 90 HE2 PHE 90 14.507 7.773 -33.211 717 HZ PHE 90 HZ PHE 90 15.305 10.081 -33.535 718 H ASN 91 H ASN 91 9.583 6.738 -31.166 719 HA ASN 91 HA ASN 91 8.632 5.688 -33.558 720 HB2 ASN 91 HB2 ASN 91 11.331 6.623 -33.766 721 HB3 ASN 91 HB3 ASN 91 11.330 4.866 -33.887 722 HD21 ASN 91 HD21 ASN 91 9.292 4.128 -35.265 723 HD22 ASN 91 HD22 ASN 91 9.193 4.900 -36.807 724 H GLY 92 H GLY 92 7.735 3.972 -32.603 725 HA2 GLY 92 HA2 GLY 92 9.427 1.891 -31.556 726 HA3 GLY 92 HA3 GLY 92 8.440 2.663 -30.324 727 H ALA 93 H ALA 93 6.060 2.783 -30.845 728 HA ALA 93 HA ALA 93 5.230 0.181 -31.912 729 HB1 ALA 93 HB1 ALA 93 4.443 1.734 -29.653 730 HB2 ALA 93 HB2 ALA 93 3.046 1.499 -30.704 731 HB3 ALA 93 HB3 ALA 93 3.945 0.104 -30.107 732 H GLU 94 H GLU 94 3.659 3.378 -31.750 733 HA GLU 94 HA GLU 94 2.451 4.558 -33.274 734 HB2 GLU 94 HB2 GLU 94 4.798 3.916 -34.524 735 HB3 GLU 94 HB3 GLU 94 3.611 3.273 -35.650 736 HG2 GLU 94 HG2 GLU 94 2.904 5.309 -36.282 737 HG3 GLU 94 HG3 GLU 94 3.072 5.989 -34.664 738 H GLY 95 H GLY 95 1.769 1.672 -32.513 739 HA2 GLY 95 HA2 GLY 95 -0.705 1.482 -33.741 740 HA3 GLY 95 HA3 GLY 95 0.395 0.535 -34.731 741 H ALA 96 H ALA 96 2.021 -0.204 -32.363 742 HA ALA 96 HA ALA 96 0.158 -2.166 -31.191 743 HB1 ALA 96 HB1 ALA 96 1.762 -3.208 -32.712 744 HB2 ALA 96 HB2 ALA 96 3.094 -2.528 -31.777 745 HB3 ALA 96 HB3 ALA 96 2.026 -3.726 -31.046 746 H TYR 97 H TYR 97 0.134 0.052 -29.821 747 HA TYR 97 HA TYR 97 2.137 0.682 -28.032 748 HB2 TYR 97 HB2 TYR 97 0.473 1.761 -26.706 749 HB3 TYR 97 HB3 TYR 97 -0.043 1.909 -28.383 750 HD1 TYR 97 HD1 TYR 97 -1.957 0.619 -29.214 751 HD2 TYR 97 HD2 TYR 97 -0.781 0.441 -25.128 752 HE1 TYR 97 HE1 TYR 97 -4.128 -0.384 -28.639 753 HE2 TYR 97 HE2 TYR 97 -2.949 -0.564 -24.543 754 HH TYR 97 HH TYR 97 -5.254 -0.638 -25.473 755 H ALA 98 H ALA 98 -0.064 -2.014 -28.008 756 HA ALA 98 HA ALA 98 0.053 -2.811 -25.352 757 HB1 ALA 98 HB1 ALA 98 -0.195 -4.401 -27.891 758 HB2 ALA 98 HB2 ALA 98 -0.280 -5.144 -26.293 759 HB3 ALA 98 HB3 ALA 98 -1.466 -3.928 -26.764 760 H ASP 99 H ASP 99 2.476 -2.974 -27.827 761 HA ASP 99 HA ASP 99 4.113 -4.984 -26.705 762 HB2 ASP 99 HB2 ASP 99 4.828 -2.653 -28.496 763 HB3 ASP 99 HB3 ASP 99 5.906 -3.994 -28.121 764 H ALA 100 H ALA 100 3.922 -1.502 -26.216 765 HA ALA 100 HA ALA 100 6.238 -1.427 -24.503 766 HB1 ALA 100 HB1 ALA 100 4.280 0.545 -25.532 767 HB2 ALA 100 HB2 ALA 100 5.119 0.939 -24.031 768 HB3 ALA 100 HB3 ALA 100 6.042 0.607 -25.497 769 H ALA 101 H ALA 101 2.851 -1.963 -24.134 770 HA ALA 101 HA ALA 101 2.627 -1.222 -21.394 771 HB1 ALA 101 HB1 ALA 101 0.475 -2.239 -21.450 772 HB2 ALA 101 HB2 ALA 101 0.719 -1.440 -23.004 773 HB3 ALA 101 HB3 ALA 101 0.894 -3.190 -22.874 774 H ARG 102 H ARG 102 3.556 -4.149 -23.076 775 HA ARG 102 HA ARG 102 3.308 -5.985 -20.979 776 HB2 ARG 102 HB2 ARG 102 4.010 -6.196 -23.564 777 HB3 ARG 102 HB3 ARG 102 5.605 -6.295 -22.830 778 HG2 ARG 102 HG2 ARG 102 4.741 -8.509 -23.150 779 HG3 ARG 102 HG3 ARG 102 4.802 -8.158 -21.421 780 HD2 ARG 102 HD2 ARG 102 2.294 -7.310 -22.081 781 HD3 ARG 102 HD3 ARG 102 2.505 -8.685 -23.163 782 HE ARG 102 HE ARG 102 3.295 -9.377 -20.540 783 HH11 ARG 102 HH11 ARG 102 0.462 -8.749 -22.463 784 HH12 ARG 102 HH12 ARG 102 -0.570 -9.763 -21.510 785 HH21 ARG 102 HH21 ARG 102 1.947 -10.716 -19.278 786 HH22 ARG 102 HH22 ARG 102 0.276 -10.881 -19.698 787 H THR 103 H THR 103 6.159 -4.119 -22.019 788 HA THR 103 HA THR 103 7.852 -5.007 -19.948 789 HB THR 103 HB THR 103 8.791 -3.999 -21.941 790 HG1 THR 103 HG1 THR 103 9.711 -3.642 -19.670 791 HG21 THR 103 HG21 THR 103 7.043 -2.393 -22.458 792 HG22 THR 103 HG22 THR 103 8.599 -1.571 -22.344 793 HG23 THR 103 HG23 THR 103 7.443 -1.459 -21.016 794 H PHE 104 H PHE 104 5.531 -2.394 -20.158 795 HA PHE 104 HA PHE 104 6.345 -0.902 -17.926 796 HB2 PHE 104 HB2 PHE 104 4.756 0.004 -19.514 797 HB3 PHE 104 HB3 PHE 104 3.597 -1.266 -19.134 798 HD1 PHE 104 HD1 PHE 104 5.170 1.825 -17.950 799 HD2 PHE 104 HD2 PHE 104 2.255 -1.172 -17.149 800 HE1 PHE 104 HE1 PHE 104 4.186 3.253 -16.205 801 HE2 PHE 104 HE2 PHE 104 1.266 0.252 -15.403 802 HZ PHE 104 HZ PHE 104 2.231 2.468 -14.929 803 H GLU 105 H GLU 105 3.876 -3.455 -18.188 804 HA GLU 105 HA GLU 105 3.082 -3.519 -15.530 805 HB2 GLU 105 HB2 GLU 105 3.257 -5.777 -17.530 806 HB3 GLU 105 HB3 GLU 105 2.426 -5.890 -15.985 807 HG2 GLU 105 HG2 GLU 105 1.743 -3.950 -18.183 808 HG3 GLU 105 HG3 GLU 105 0.900 -5.464 -17.858 809 H LYS 106 H LYS 106 5.726 -5.261 -17.121 810 HA LYS 106 HA LYS 106 6.554 -6.891 -15.054 811 HB2 LYS 106 HB2 LYS 106 7.796 -5.726 -17.449 812 HB3 LYS 106 HB3 LYS 106 8.937 -6.141 -16.178 813 HG2 LYS 106 HG2 LYS 106 6.910 -8.030 -17.356 814 HG3 LYS 106 HG3 LYS 106 8.613 -7.950 -17.814 815 HD2 LYS 106 HD2 LYS 106 9.116 -9.326 -16.143 816 HD3 LYS 106 HD3 LYS 106 8.494 -8.143 -14.990 817 HE2 LYS 106 HE2 LYS 106 6.337 -9.103 -15.022 818 HE3 LYS 106 HE3 LYS 106 6.704 -10.065 -16.453 819 HZ1 LYS 106 HZ1 LYS 106 6.708 -11.343 -14.350 820 HZ2 LYS 106 HZ2 LYS 106 8.032 -10.430 -13.824 821 HZ3 LYS 106 HZ3 LYS 106 8.177 -11.424 -15.185 822 H PHE 107 H PHE 107 7.430 -3.510 -15.669 823 HA PHE 107 HA PHE 107 9.294 -3.193 -13.621 824 HB2 PHE 107 HB2 PHE 107 7.547 -1.363 -15.185 825 HB3 PHE 107 HB3 PHE 107 8.269 -0.724 -13.712 826 HD1 PHE 107 HD1 PHE 107 9.420 -2.892 -16.529 827 HD2 PHE 107 HD2 PHE 107 10.148 0.520 -14.090 828 HE1 PHE 107 HE1 PHE 107 11.517 -2.474 -17.746 829 HE2 PHE 107 HE2 PHE 107 12.246 0.944 -15.303 830 HZ PHE 107 HZ PHE 107 12.933 -0.555 -17.133 831 H ALA 108 H ALA 108 5.781 -2.689 -13.585 832 HA ALA 108 HA ALA 108 5.510 -1.735 -10.989 833 HB1 ALA 108 HB1 ALA 108 3.191 -2.674 -11.109 834 HB2 ALA 108 HB2 ALA 108 3.647 -1.649 -12.470 835 HB3 ALA 108 HB3 ALA 108 3.635 -3.403 -12.653 836 H MET 109 H MET 109 5.763 -5.051 -12.167 837 HA MET 109 HA MET 109 5.103 -6.391 -9.803 838 HB2 MET 109 HB2 MET 109 5.385 -7.420 -12.078 839 HB3 MET 109 HB3 MET 109 7.125 -7.303 -11.853 840 HG2 MET 109 HG2 MET 109 6.740 -9.461 -11.212 841 HG3 MET 109 HG3 MET 109 6.649 -8.627 -9.663 842 HE1 MET 109 HE1 MET 109 4.551 -10.239 -8.148 843 HE2 MET 109 HE2 MET 109 4.226 -11.516 -9.320 844 HE3 MET 109 HE3 MET 109 5.867 -10.902 -9.118 845 H GLY 110 H GLY 110 8.257 -5.275 -11.004 846 HA2 GLY 110 HA2 GLY 110 9.850 -6.299 -8.953 847 HA3 GLY 110 HA3 GLY 110 10.234 -4.875 -9.910 848 H LYS 111 H LYS 111 8.179 -3.174 -9.154 849 HA LYS 111 HA LYS 111 9.179 -2.015 -6.835 850 HB2 LYS 111 HB2 LYS 111 7.699 -0.963 -8.623 851 HB3 LYS 111 HB3 LYS 111 6.334 -1.688 -7.784 852 HG2 LYS 111 HG2 LYS 111 8.203 -0.070 -6.159 853 HG3 LYS 111 HG3 LYS 111 7.174 0.790 -7.306 854 HD2 LYS 111 HD2 LYS 111 5.986 -1.255 -5.475 855 HD3 LYS 111 HD3 LYS 111 6.336 0.367 -4.875 856 HE2 LYS 111 HE2 LYS 111 4.885 0.158 -7.450 857 HE3 LYS 111 HE3 LYS 111 4.002 -0.296 -5.993 858 HZ1 LYS 111 HZ1 LYS 111 4.746 1.906 -5.064 859 HZ2 LYS 111 HZ2 LYS 111 3.611 1.984 -6.316 860 HZ3 LYS 111 HZ3 LYS 111 5.239 2.318 -6.628 861 H ILE 112 H ILE 112 6.472 -4.245 -7.260 862 HA ILE 112 HA ILE 112 5.454 -4.136 -4.652 863 HB ILE 112 HB ILE 112 5.449 -6.496 -6.538 864 HG12 ILE 112 HG12 ILE 112 3.261 -4.460 -6.118 865 HG13 ILE 112 HG13 ILE 112 4.475 -4.297 -7.381 866 HG21 ILE 112 HG21 ILE 112 3.284 -6.966 -5.218 867 HG22 ILE 112 HG22 ILE 112 4.832 -7.370 -4.476 868 HG23 ILE 112 HG23 ILE 112 3.981 -5.902 -3.997 869 HD11 ILE 112 HD11 ILE 112 2.089 -5.929 -7.296 870 HD12 ILE 112 HD12 ILE 112 3.083 -5.445 -8.669 871 HD13 ILE 112 HD13 ILE 112 3.524 -6.863 -7.718 872 H ASP 113 H ASP 113 7.977 -6.164 -6.079 873 HA ASP 113 HA ASP 113 8.409 -7.863 -3.899 874 HB2 ASP 113 HB2 ASP 113 10.063 -6.974 -6.226 875 HB3 ASP 113 HB3 ASP 113 10.843 -7.868 -4.924 876 H ALA 114 H ALA 114 10.066 -4.833 -4.767 877 HA ALA 114 HA ALA 114 11.765 -4.753 -2.528 878 HB1 ALA 114 HB1 ALA 114 12.565 -3.211 -3.936 879 HB2 ALA 114 HB2 ALA 114 10.989 -2.937 -4.680 880 HB3 ALA 114 HB3 ALA 114 11.408 -2.118 -3.175 881 H TYR 115 H TYR 115 8.498 -3.536 -3.050 882 HA TYR 115 HA TYR 115 8.180 -1.910 -0.844 883 HB2 TYR 115 HB2 TYR 115 6.435 -2.022 -2.470 884 HB3 TYR 115 HB3 TYR 115 6.214 -3.749 -2.210 885 HD1 TYR 115 HD1 TYR 115 6.519 -1.039 0.322 886 HD2 TYR 115 HD2 TYR 115 3.992 -3.929 -1.513 887 HE1 TYR 115 HE1 TYR 115 4.773 -0.561 1.987 888 HE2 TYR 115 HE2 TYR 115 2.238 -3.457 0.146 889 HH TYR 115 HH TYR 115 1.642 -2.241 1.901 890 H ILE 116 H ILE 116 7.788 -5.429 -1.050 891 HA ILE 116 HA ILE 116 7.001 -5.778 1.653 892 HB ILE 116 HB ILE 116 8.280 -7.784 -0.209 893 HG12 ILE 116 HG12 ILE 116 5.433 -8.072 0.273 894 HG13 ILE 116 HG13 ILE 116 5.806 -6.501 -0.428 895 HG21 ILE 116 HG21 ILE 116 7.295 -7.933 2.544 896 HG22 ILE 116 HG22 ILE 116 6.655 -9.179 1.474 897 HG23 ILE 116 HG23 ILE 116 8.398 -8.998 1.672 898 HD11 ILE 116 HD11 ILE 116 7.269 -8.062 -2.034 899 HD12 ILE 116 HD12 ILE 116 5.990 -9.195 -1.600 900 HD13 ILE 116 HD13 ILE 116 5.583 -7.650 -2.348 901 H SER 117 H SER 117 10.110 -5.776 0.008 902 HA SER 117 HA SER 117 11.689 -6.838 2.059 903 HB2 SER 117 HB2 SER 117 12.167 -5.196 -0.361 904 HB3 SER 117 HB3 SER 117 13.421 -5.133 0.877 905 HG SER 117 HG SER 117 14.051 -6.931 -0.014 906 H GLN 118 H GLN 118 10.573 -3.549 1.458 907 HA GLN 118 HA GLN 118 11.763 -2.733 4.026 908 HB2 GLN 118 HB2 GLN 118 11.569 -0.399 3.135 909 HB3 GLN 118 HB3 GLN 118 12.695 -1.423 2.254 910 HG2 GLN 118 HG2 GLN 118 10.173 -1.695 1.016 911 HG3 GLN 118 HG3 GLN 118 10.450 0.026 1.281 912 HE21 GLN 118 HE21 GLN 118 12.661 -2.640 0.536 913 HE22 GLN 118 HE22 GLN 118 13.304 -1.935 -0.904 914 H LYS 119 H LYS 119 9.765 -3.853 4.866 915 HA LYS 119 HA LYS 119 7.475 -1.996 4.836 916 HB2 LYS 119 HB2 LYS 119 7.339 -4.517 3.981 917 HB3 LYS 119 HB3 LYS 119 7.122 -4.825 5.698 918 HG2 LYS 119 HG2 LYS 119 5.132 -3.607 5.787 919 HG3 LYS 119 HG3 LYS 119 5.458 -2.794 4.254 920 HD2 LYS 119 HD2 LYS 119 4.476 -4.425 3.092 921 HD3 LYS 119 HD3 LYS 119 5.398 -5.670 3.939 922 HE2 LYS 119 HE2 LYS 119 3.343 -6.259 4.680 923 HE3 LYS 119 HE3 LYS 119 3.674 -5.008 5.878 924 HZ1 LYS 119 HZ1 LYS 119 2.293 -4.413 3.329 925 HZ2 LYS 119 HZ2 LYS 119 2.346 -3.475 4.737 926 HZ3 LYS 119 HZ3 LYS 119 1.451 -4.910 4.710 927 H VAL 120 H VAL 120 9.884 -3.501 6.722 928 HA VAL 120 HA VAL 120 8.603 -3.506 9.247 929 HB VAL 120 HB VAL 120 10.700 -4.754 8.723 930 HG11 VAL 120 HG11 VAL 120 12.815 -3.653 8.690 931 HG12 VAL 120 HG12 VAL 120 11.779 -2.844 7.513 932 HG13 VAL 120 HG13 VAL 120 12.079 -2.100 9.084 933 HG21 VAL 120 HG21 VAL 120 11.669 -3.288 10.998 934 HG22 VAL 120 HG22 VAL 120 9.920 -3.492 11.099 935 HG23 VAL 120 HG23 VAL 120 10.964 -4.903 10.926 936 H GLY 121 H GLY 121 10.231 -1.040 7.387 937 HA2 GLY 121 HA2 GLY 121 9.116 1.087 8.830 938 HA3 GLY 121 HA3 GLY 121 10.736 0.807 9.453 939 H GLY 122 H GLY 122 9.100 1.064 6.288 940 HA2 GLY 122 HA2 GLY 122 10.888 3.195 5.503 941 HA3 GLY 122 HA3 GLY 122 11.159 1.684 4.649 942 H LEU 123 H LEU 123 8.443 0.844 4.521 943 HA LEU 123 HA LEU 123 7.180 2.952 2.916 944 HB2 LEU 123 HB2 LEU 123 7.783 0.133 2.077 945 HB3 LEU 123 HB3 LEU 123 6.511 1.081 1.311 946 HG LEU 123 HG LEU 123 9.449 1.768 1.352 947 HD11 LEU 123 HD11 LEU 123 7.723 0.918 -0.964 948 HD12 LEU 123 HD12 LEU 123 8.790 -0.170 -0.077 949 HD13 LEU 123 HD13 LEU 123 9.465 1.197 -0.964 950 HD21 LEU 123 HD21 LEU 123 8.791 3.526 -0.256 951 HD22 LEU 123 HD22 LEU 123 8.113 3.776 1.353 952 HD23 LEU 123 HD23 LEU 123 7.098 3.142 0.057 953 H GLU 124 H GLU 124 6.836 -0.161 4.554 954 HA GLU 124 HA GLU 124 5.051 -1.197 5.522 955 HB2 GLU 124 HB2 GLU 124 4.016 1.601 5.978 956 HB3 GLU 124 HB3 GLU 124 3.679 0.167 6.937 957 HG2 GLU 124 HG2 GLU 124 6.264 0.155 7.296 958 HG3 GLU 124 HG3 GLU 124 6.130 1.855 6.850 Start of MODEL 2 1 H1 MET 1 H1 MET 1 0.691 1.500 -3.276 2 HA MET 1 HA MET 1 0.144 1.388 -0.405 3 HB2 MET 1 HB2 MET 1 1.554 -0.692 -2.073 4 HB3 MET 1 HB3 MET 1 0.827 -0.899 -0.485 5 HG2 MET 1 HG2 MET 1 -0.901 -1.740 -1.612 6 HG3 MET 1 HG3 MET 1 -1.302 -0.057 -1.943 7 HE1 MET 1 HE1 MET 1 0.803 -3.193 -3.676 8 HE2 MET 1 HE2 MET 1 -0.861 -3.350 -3.114 9 HE3 MET 1 HE3 MET 1 -0.516 -3.300 -4.843 10 H SER 2 H SER 2 1.585 3.219 -0.008 11 HA SER 2 HA SER 2 4.219 2.313 0.698 12 HB2 SER 2 HB2 SER 2 4.095 4.679 -1.170 13 HB3 SER 2 HB3 SER 2 5.517 3.781 -0.638 14 HG SER 2 HG SER 2 3.933 3.329 -2.756 15 H GLN 3 H GLN 3 5.475 4.663 1.226 16 HA GLN 3 HA GLN 3 3.610 6.038 3.047 17 HB2 GLN 3 HB2 GLN 3 5.269 4.587 4.204 18 HB3 GLN 3 HB3 GLN 3 6.559 5.548 3.494 19 HG2 GLN 3 HG2 GLN 3 5.880 6.063 5.890 20 HG3 GLN 3 HG3 GLN 3 6.038 7.419 4.775 21 HE21 GLN 3 HE21 GLN 3 4.586 8.872 5.357 22 HE22 GLN 3 HE22 GLN 3 2.915 8.565 5.669 23 H ASN 4 H ASN 4 3.234 8.040 2.384 24 HA ASN 4 HA ASN 4 4.991 9.411 0.583 25 HB2 ASN 4 HB2 ASN 4 3.338 11.312 0.932 26 HB3 ASN 4 HB3 ASN 4 2.669 9.818 0.282 27 HD21 ASN 4 HD21 ASN 4 1.455 8.461 1.668 28 HD22 ASN 4 HD22 ASN 4 0.683 9.100 3.075 29 H ARG 5 H ARG 5 6.823 9.185 2.201 30 HA ARG 5 HA ARG 5 7.213 11.742 3.462 31 HB2 ARG 5 HB2 ARG 5 6.030 10.519 5.239 32 HB3 ARG 5 HB3 ARG 5 7.234 9.240 5.159 33 HG2 ARG 5 HG2 ARG 5 8.933 11.095 5.693 34 HG3 ARG 5 HG3 ARG 5 7.523 12.032 6.191 35 HD2 ARG 5 HD2 ARG 5 7.539 9.321 7.261 36 HD3 ARG 5 HD3 ARG 5 8.936 10.271 7.764 37 HE ARG 5 HE ARG 5 6.461 11.680 8.062 38 HH11 ARG 5 HH11 ARG 5 8.608 9.371 9.538 39 HH12 ARG 5 HH12 ARG 5 8.066 9.701 11.150 40 HH21 ARG 5 HH21 ARG 5 5.739 12.124 10.180 41 HH22 ARG 5 HH22 ARG 5 6.433 11.267 11.514 42 H GLN 6 H GLN 6 8.666 8.559 4.091 43 HA GLN 6 HA GLN 6 11.091 9.449 2.692 44 HB2 GLN 6 HB2 GLN 6 12.490 9.044 4.463 45 HB3 GLN 6 HB3 GLN 6 11.060 9.587 5.331 46 HG2 GLN 6 HG2 GLN 6 11.914 6.736 4.885 47 HG3 GLN 6 HG3 GLN 6 11.993 7.638 6.397 48 HE21 GLN 6 HE21 GLN 6 10.486 5.183 5.317 49 HE22 GLN 6 HE22 GLN 6 8.868 5.444 5.862 50 H LEU 7 H LEU 7 12.463 7.743 1.945 51 HA LEU 7 HA LEU 7 11.005 5.218 1.556 52 HB2 LEU 7 HB2 LEU 7 12.681 6.893 -0.177 53 HB3 LEU 7 HB3 LEU 7 13.004 5.164 -0.287 54 HG LEU 7 HG LEU 7 11.328 6.244 -1.930 55 HD11 LEU 7 HD11 LEU 7 9.785 4.129 -1.491 56 HD12 LEU 7 HD12 LEU 7 11.134 3.685 -0.446 57 HD13 LEU 7 HD13 LEU 7 11.410 3.986 -2.161 58 HD21 LEU 7 HD21 LEU 7 9.340 5.711 0.235 59 HD22 LEU 7 HD22 LEU 7 9.172 6.672 -1.234 60 HD23 LEU 7 HD23 LEU 7 10.114 7.292 0.123 61 H LEU 8 H LEU 8 11.791 3.421 2.433 62 HA LEU 8 HA LEU 8 13.905 3.333 4.204 63 HB2 LEU 8 HB2 LEU 8 12.020 1.636 3.758 64 HB3 LEU 8 HB3 LEU 8 13.122 0.943 2.571 65 HG LEU 8 HG LEU 8 13.121 -0.229 4.759 66 HD11 LEU 8 HD11 LEU 8 15.433 -0.593 4.798 67 HD12 LEU 8 HD12 LEU 8 15.791 1.055 4.281 68 HD13 LEU 8 HD13 LEU 8 15.089 -0.094 3.141 69 HD21 LEU 8 HD21 LEU 8 14.007 0.770 6.710 70 HD22 LEU 8 HD22 LEU 8 12.806 1.899 6.084 71 HD23 LEU 8 HD23 LEU 8 14.523 2.209 5.829 72 H TYR 9 H TYR 9 13.974 1.735 1.015 73 HA TYR 9 HA TYR 9 16.383 2.874 0.148 74 HB2 TYR 9 HB2 TYR 9 16.665 0.659 2.022 75 HB3 TYR 9 HB3 TYR 9 17.460 0.338 0.484 76 HD1 TYR 9 HD1 TYR 9 18.655 2.721 -0.386 77 HD2 TYR 9 HD2 TYR 9 18.136 1.401 3.626 78 HE1 TYR 9 HE1 TYR 9 20.566 4.104 0.310 79 HE2 TYR 9 HE2 TYR 9 20.045 2.781 4.333 80 HH TYR 9 HH TYR 9 21.522 4.336 3.715 81 HA PRO 10 HA PRO 10 13.887 0.457 -2.919 82 HB2 PRO 10 HB2 PRO 10 13.732 2.480 -4.723 83 HB3 PRO 10 HB3 PRO 10 12.587 2.292 -3.390 84 HG2 PRO 10 HG2 PRO 10 14.971 4.091 -3.600 85 HG3 PRO 10 HG3 PRO 10 13.353 4.446 -2.966 86 HD2 PRO 10 HD2 PRO 10 15.462 3.904 -1.357 87 HD3 PRO 10 HD3 PRO 10 13.797 3.459 -0.931 88 H ARG 11 H ARG 11 15.126 -0.907 -4.035 89 HA ARG 11 HA ARG 11 16.731 -0.150 -6.193 90 HB2 ARG 11 HB2 ARG 11 18.962 -0.912 -5.188 91 HB3 ARG 11 HB3 ARG 11 18.391 0.697 -4.768 92 HG2 ARG 11 HG2 ARG 11 18.355 0.207 -2.605 93 HG3 ARG 11 HG3 ARG 11 17.441 -1.276 -2.887 94 HD2 ARG 11 HD2 ARG 11 19.639 -2.309 -3.632 95 HD3 ARG 11 HD3 ARG 11 20.421 -0.882 -2.952 96 HE ARG 11 HE ARG 11 18.648 -2.191 -1.115 97 HH11 ARG 11 HH11 ARG 11 21.870 -2.156 -2.433 98 HH12 ARG 11 HH12 ARG 11 22.583 -2.926 -1.054 99 HH21 ARG 11 HH21 ARG 11 19.575 -3.205 0.706 100 HH22 ARG 11 HH22 ARG 11 21.276 -3.523 0.730 101 H GLU 12 H GLU 12 16.085 -2.514 -3.677 102 HA GLU 12 HA GLU 12 17.155 -4.800 -4.805 103 HB2 GLU 12 HB2 GLU 12 15.326 -4.177 -2.713 104 HB3 GLU 12 HB3 GLU 12 14.628 -5.478 -3.669 105 HG2 GLU 12 HG2 GLU 12 17.474 -5.667 -2.813 106 HG3 GLU 12 HG3 GLU 12 16.193 -5.997 -1.648 107 H GLU 13 H GLU 13 14.311 -3.012 -5.711 108 HA GLU 13 HA GLU 13 13.413 -5.119 -7.516 109 HB2 GLU 13 HB2 GLU 13 11.492 -3.652 -7.944 110 HB3 GLU 13 HB3 GLU 13 11.713 -3.940 -6.224 111 HG2 GLU 13 HG2 GLU 13 11.429 -1.724 -6.081 112 HG3 GLU 13 HG3 GLU 13 13.139 -1.678 -6.506 113 H MET 14 H MET 14 14.735 -1.847 -7.607 114 HA MET 14 HA MET 14 14.502 -1.243 -10.280 115 HB2 MET 14 HB2 MET 14 15.998 -0.276 -8.071 116 HB3 MET 14 HB3 MET 14 17.112 -0.451 -9.421 117 HG2 MET 14 HG2 MET 14 16.141 1.197 -10.621 118 HG3 MET 14 HG3 MET 14 14.528 0.849 -10.002 119 HE1 MET 14 HE1 MET 14 13.968 2.816 -7.033 120 HE2 MET 14 HE2 MET 14 13.735 1.260 -7.831 121 HE3 MET 14 HE3 MET 14 14.927 1.420 -6.540 122 H VAL 15 H VAL 15 16.909 -3.288 -8.701 123 HA VAL 15 HA VAL 15 18.438 -3.728 -11.082 124 HB VAL 15 HB VAL 15 19.652 -5.394 -9.811 125 HG11 VAL 15 HG11 VAL 15 20.613 -3.988 -8.211 126 HG12 VAL 15 HG12 VAL 15 19.914 -2.876 -9.390 127 HG13 VAL 15 HG13 VAL 15 19.083 -3.183 -7.865 128 HG21 VAL 15 HG21 VAL 15 17.776 -6.476 -8.701 129 HG22 VAL 15 HG22 VAL 15 18.994 -5.988 -7.522 130 HG23 VAL 15 HG23 VAL 15 17.517 -5.042 -7.707 131 H SER 16 H SER 16 15.723 -5.280 -9.535 132 HA SER 16 HA SER 16 15.793 -7.806 -10.657 133 HB2 SER 16 HB2 SER 16 14.107 -6.745 -8.980 134 HB3 SER 16 HB3 SER 16 13.198 -6.307 -10.426 135 HG SER 16 HG SER 16 12.692 -8.402 -9.412 136 H LEU 17 H LEU 17 14.306 -4.865 -11.998 137 HA LEU 17 HA LEU 17 13.290 -5.932 -14.344 138 HB2 LEU 17 HB2 LEU 17 14.514 -3.202 -13.974 139 HB3 LEU 17 HB3 LEU 17 13.403 -3.676 -15.258 140 HG LEU 17 HG LEU 17 11.905 -2.658 -13.908 141 HD11 LEU 17 HD11 LEU 17 10.636 -4.208 -12.678 142 HD12 LEU 17 HD12 LEU 17 12.051 -5.187 -12.293 143 HD13 LEU 17 HD13 LEU 17 11.427 -5.150 -13.942 144 HD21 LEU 17 HD21 LEU 17 14.030 -2.935 -11.948 145 HD22 LEU 17 HD22 LEU 17 12.427 -3.126 -11.238 146 HD23 LEU 17 HD23 LEU 17 12.824 -1.662 -12.138 147 H VAL 18 H VAL 18 16.278 -3.991 -14.246 148 HA VAL 18 HA VAL 18 17.267 -4.682 -16.717 149 HB VAL 18 HB VAL 18 18.225 -2.939 -15.208 150 HG11 VAL 18 HG11 VAL 18 18.339 -4.241 -13.158 151 HG12 VAL 18 HG12 VAL 18 19.543 -5.308 -13.884 152 HG13 VAL 18 HG13 VAL 18 19.932 -3.614 -13.580 153 HG21 VAL 18 HG21 VAL 18 20.277 -2.981 -16.244 154 HG22 VAL 18 HG22 VAL 18 20.475 -4.719 -16.021 155 HG23 VAL 18 HG23 VAL 18 19.374 -4.108 -17.256 156 H ARG 19 H ARG 19 17.381 -6.505 -13.735 157 HA ARG 19 HA ARG 19 19.333 -8.397 -14.561 158 HB2 ARG 19 HB2 ARG 19 17.314 -8.247 -12.362 159 HB3 ARG 19 HB3 ARG 19 18.084 -9.791 -12.703 160 HG2 ARG 19 HG2 ARG 19 20.242 -8.912 -12.232 161 HG3 ARG 19 HG3 ARG 19 19.617 -7.263 -12.159 162 HD2 ARG 19 HD2 ARG 19 19.988 -8.086 -9.920 163 HD3 ARG 19 HD3 ARG 19 18.257 -7.902 -10.201 164 HE ARG 19 HE ARG 19 18.948 -10.531 -10.819 165 HH11 ARG 19 HH11 ARG 19 18.827 -8.428 -8.047 166 HH12 ARG 19 HH12 ARG 19 18.534 -9.713 -6.922 167 HH21 ARG 19 HH21 ARG 19 18.562 -12.231 -9.348 168 HH22 ARG 19 HH22 ARG 19 18.384 -11.875 -7.663 169 H SER 20 H SER 20 15.807 -8.296 -14.715 170 HA SER 20 HA SER 20 15.348 -10.924 -15.550 171 HB2 SER 20 HB2 SER 20 13.173 -10.271 -15.904 172 HB3 SER 20 HB3 SER 20 13.715 -8.917 -14.913 173 HG SER 20 HG SER 20 13.361 -9.033 -17.711 174 H LEU 21 H LEU 21 16.331 -8.074 -17.336 175 HA LEU 21 HA LEU 21 16.243 -9.585 -19.849 176 HB2 LEU 21 HB2 LEU 21 16.441 -7.490 -20.981 177 HB3 LEU 21 HB3 LEU 21 15.172 -7.355 -19.765 178 HG LEU 21 HG LEU 21 17.607 -6.463 -18.599 179 HD11 LEU 21 HD11 LEU 21 18.576 -5.043 -20.056 180 HD12 LEU 21 HD12 LEU 21 17.059 -4.671 -20.875 181 HD13 LEU 21 HD13 LEU 21 17.921 -6.163 -21.251 182 HD21 LEU 21 HD21 LEU 21 16.187 -4.236 -18.851 183 HD22 LEU 21 HD22 LEU 21 15.749 -5.502 -17.703 184 HD23 LEU 21 HD23 LEU 21 14.918 -5.393 -19.255 185 H ASP 22 H ASP 22 18.082 -9.424 -21.314 186 HA ASP 22 HA ASP 22 20.603 -8.457 -20.576 187 HB2 ASP 22 HB2 ASP 22 20.117 -10.491 -18.944 188 HB3 ASP 22 HB3 ASP 22 20.653 -11.432 -20.334 189 H ARG 23 H ARG 23 19.989 -7.923 -22.840 190 HA ARG 23 HA ARG 23 21.512 -9.451 -24.660 191 HB2 ARG 23 HB2 ARG 23 19.254 -10.752 -24.341 192 HB3 ARG 23 HB3 ARG 23 18.616 -9.511 -25.411 193 HG2 ARG 23 HG2 ARG 23 19.338 -10.676 -27.145 194 HG3 ARG 23 HG3 ARG 23 20.996 -10.446 -26.587 195 HD2 ARG 23 HD2 ARG 23 19.127 -12.703 -25.884 196 HD3 ARG 23 HD3 ARG 23 20.593 -12.797 -26.860 197 HE ARG 23 HE ARG 23 21.138 -11.805 -24.250 198 HH11 ARG 23 HH11 ARG 23 20.484 -14.718 -26.041 199 HH12 ARG 23 HH12 ARG 23 21.329 -15.746 -24.932 200 HH21 ARG 23 HH21 ARG 23 22.254 -13.148 -22.781 201 HH22 ARG 23 HH22 ARG 23 22.334 -14.852 -23.077 202 HA PRO 24 HA PRO 24 20.669 -5.006 -25.699 203 HB2 PRO 24 HB2 PRO 24 23.285 -4.335 -25.982 204 HB3 PRO 24 HB3 PRO 24 22.447 -4.298 -24.426 205 HG2 PRO 24 HG2 PRO 24 24.258 -6.399 -25.553 206 HG3 PRO 24 HG3 PRO 24 24.199 -5.737 -23.909 207 HD2 PRO 24 HD2 PRO 24 23.084 -8.116 -24.562 208 HD3 PRO 24 HD3 PRO 24 22.410 -7.059 -23.306 209 H GLN 25 H GLN 25 19.894 -5.119 -27.736 210 HA GLN 25 HA GLN 25 21.187 -6.506 -29.854 211 HB2 GLN 25 HB2 GLN 25 18.854 -4.630 -29.683 212 HB3 GLN 25 HB3 GLN 25 19.491 -5.106 -31.252 213 HG2 GLN 25 HG2 GLN 25 18.195 -6.893 -31.146 214 HG3 GLN 25 HG3 GLN 25 19.223 -7.487 -29.843 215 HE21 GLN 25 HE21 GLN 25 18.659 -6.523 -27.650 216 HE22 GLN 25 HE22 GLN 25 16.977 -6.452 -27.261 217 H GLU 26 H GLU 26 20.771 -3.042 -29.145 218 HA GLU 26 HA GLU 26 22.465 -2.242 -31.318 219 HB2 GLU 26 HB2 GLU 26 20.744 -0.951 -29.371 220 HB3 GLU 26 HB3 GLU 26 22.265 -0.089 -29.555 221 HG2 GLU 26 HG2 GLU 26 21.008 -0.895 -32.075 222 HG3 GLU 26 HG3 GLU 26 20.081 0.261 -31.120 223 H ASN 27 H ASN 27 22.783 -2.265 -27.776 224 HA ASN 27 HA ASN 27 24.597 -2.145 -26.406 225 HB2 ASN 27 HB2 ASN 27 25.019 -4.298 -27.696 226 HB3 ASN 27 HB3 ASN 27 26.145 -3.375 -28.687 227 HD21 ASN 27 HD21 ASN 27 25.437 -4.394 -25.397 228 HD22 ASN 27 HD22 ASN 27 27.069 -4.335 -24.833 229 H GLY 28 H GLY 28 24.238 0.265 -27.169 230 HA2 GLY 28 HA2 GLY 28 26.856 1.396 -27.386 231 HA3 GLY 28 HA3 GLY 28 25.938 1.601 -28.871 232 H LEU 29 H LEU 29 23.375 1.898 -27.613 233 HA LEU 29 HA LEU 29 23.467 4.029 -25.721 234 HB2 LEU 29 HB2 LEU 29 24.185 5.072 -27.939 235 HB3 LEU 29 HB3 LEU 29 22.521 4.818 -28.459 236 HG LEU 29 HG LEU 29 23.116 6.371 -25.967 237 HD11 LEU 29 HD11 LEU 29 23.343 8.387 -27.161 238 HD12 LEU 29 HD12 LEU 29 22.905 7.625 -28.690 239 HD13 LEU 29 HD13 LEU 29 24.453 7.253 -27.931 240 HD21 LEU 29 HD21 LEU 29 20.863 6.138 -26.032 241 HD22 LEU 29 HD22 LEU 29 20.824 5.911 -27.781 242 HD23 LEU 29 HD23 LEU 29 20.995 7.532 -27.106 243 H PHE 30 H PHE 30 21.646 2.345 -28.228 244 HA PHE 30 HA PHE 30 19.077 3.014 -27.201 245 HB2 PHE 30 HB2 PHE 30 20.161 1.261 -29.314 246 HB3 PHE 30 HB3 PHE 30 18.630 0.737 -28.620 247 HD1 PHE 30 HD1 PHE 30 20.238 3.852 -29.898 248 HD2 PHE 30 HD2 PHE 30 16.701 1.503 -29.595 249 HE1 PHE 30 HE1 PHE 30 19.047 5.466 -31.323 250 HE2 PHE 30 HE2 PHE 30 15.505 3.113 -31.019 251 HZ PHE 30 HZ PHE 30 16.678 5.097 -31.886 252 H SER 31 H SER 31 21.479 0.988 -26.062 253 HA SER 31 HA SER 31 19.635 -0.239 -24.176 254 HB2 SER 31 HB2 SER 31 21.485 -1.864 -25.936 255 HB3 SER 31 HB3 SER 31 20.636 -2.498 -24.526 256 HG SER 31 HG SER 31 18.737 -2.308 -25.561 257 H GLN 32 H GLN 32 21.797 1.773 -24.138 258 HA GLN 32 HA GLN 32 23.120 0.857 -21.777 259 HB2 GLN 32 HB2 GLN 32 24.432 0.434 -24.285 260 HB3 GLN 32 HB3 GLN 32 25.317 1.657 -23.383 261 HG2 GLN 32 HG2 GLN 32 26.179 0.138 -22.025 262 HG3 GLN 32 HG3 GLN 32 24.590 -0.539 -21.674 263 HE21 GLN 32 HE21 GLN 32 23.743 -1.626 -23.912 264 HE22 GLN 32 HE22 GLN 32 24.827 -2.838 -24.496 265 H ASP 33 H ASP 33 24.983 2.579 -21.266 266 HA ASP 33 HA ASP 33 23.678 5.187 -21.569 267 HB2 ASP 33 HB2 ASP 33 25.653 4.113 -19.558 268 HB3 ASP 33 HB3 ASP 33 25.259 5.826 -19.669 269 H VAL 34 H VAL 34 24.430 6.374 -23.192 270 HA VAL 34 HA VAL 34 26.816 6.008 -24.565 271 HB VAL 34 HB VAL 34 24.959 7.319 -25.471 272 HG11 VAL 34 HG11 VAL 34 24.235 8.479 -23.484 273 HG12 VAL 34 HG12 VAL 34 25.760 9.363 -23.403 274 HG13 VAL 34 HG13 VAL 34 24.637 9.658 -24.731 275 HG21 VAL 34 HG21 VAL 34 27.695 7.909 -25.681 276 HG22 VAL 34 HG22 VAL 34 26.421 8.273 -26.845 277 HG23 VAL 34 HG23 VAL 34 26.863 9.462 -25.619 278 H LEU 35 H LEU 35 26.171 7.764 -21.629 279 HA LEU 35 HA LEU 35 28.469 9.391 -21.579 280 HB2 LEU 35 HB2 LEU 35 26.270 9.136 -20.021 281 HB3 LEU 35 HB3 LEU 35 27.485 8.373 -18.998 282 HG LEU 35 HG LEU 35 27.151 10.744 -18.455 283 HD11 LEU 35 HD11 LEU 35 29.867 10.618 -19.663 284 HD12 LEU 35 HD12 LEU 35 29.432 9.441 -18.425 285 HD13 LEU 35 HD13 LEU 35 29.364 11.166 -18.064 286 HD21 LEU 35 HD21 LEU 35 28.459 11.516 -21.024 287 HD22 LEU 35 HD22 LEU 35 27.458 12.478 -19.936 288 HD23 LEU 35 HD23 LEU 35 26.713 11.265 -20.977 289 H LEU 36 H LEU 36 28.094 6.033 -21.233 290 HA LEU 36 HA LEU 36 30.640 5.753 -19.804 291 HB2 LEU 36 HB2 LEU 36 28.359 3.891 -20.358 292 HB3 LEU 36 HB3 LEU 36 29.940 3.269 -19.886 293 HG LEU 36 HG LEU 36 28.499 3.366 -17.959 294 HD11 LEU 36 HD11 LEU 36 31.005 4.224 -17.990 295 HD12 LEU 36 HD12 LEU 36 30.024 4.255 -16.525 296 HD13 LEU 36 HD13 LEU 36 30.233 5.724 -17.477 297 HD21 LEU 36 HD21 LEU 36 27.334 5.519 -19.138 298 HD22 LEU 36 HD22 LEU 36 28.286 6.289 -17.869 299 HD23 LEU 36 HD23 LEU 36 27.103 5.049 -17.454 300 H GLN 37 H GLN 37 30.311 6.573 -22.655 301 HA GLN 37 HA GLN 37 31.596 4.311 -24.012 302 HB2 GLN 37 HB2 GLN 37 30.507 6.868 -25.200 303 HB3 GLN 37 HB3 GLN 37 31.099 5.473 -26.093 304 HG2 GLN 37 HG2 GLN 37 28.749 5.374 -24.222 305 HG3 GLN 37 HG3 GLN 37 28.614 5.679 -25.953 306 HE21 GLN 37 HE21 GLN 37 27.299 3.575 -24.890 307 HE22 GLN 37 HE22 GLN 37 28.039 2.092 -25.375 308 H TYR 38 H TYR 38 31.928 7.833 -24.386 309 HA TYR 38 HA TYR 38 34.673 7.823 -23.557 310 HB2 TYR 38 HB2 TYR 38 33.961 7.742 -26.451 311 HB3 TYR 38 HB3 TYR 38 35.286 8.790 -25.956 312 HD1 TYR 38 HD1 TYR 38 36.688 7.332 -23.928 313 HD2 TYR 38 HD2 TYR 38 34.820 5.847 -27.450 314 HE1 TYR 38 HE1 TYR 38 38.214 5.403 -23.917 315 HE2 TYR 38 HE2 TYR 38 36.339 3.913 -27.449 316 HH TYR 38 HH TYR 38 39.127 3.769 -25.617 317 HA PRO 39 HA PRO 39 33.821 12.071 -22.857 318 HB2 PRO 39 HB2 PRO 39 36.291 13.166 -23.113 319 HB3 PRO 39 HB3 PRO 39 35.822 12.168 -21.732 320 HG2 PRO 39 HG2 PRO 39 37.381 11.411 -24.173 321 HG3 PRO 39 HG3 PRO 39 37.677 10.981 -22.479 322 HD2 PRO 39 HD2 PRO 39 36.496 9.285 -24.228 323 HD3 PRO 39 HD3 PRO 39 36.097 9.303 -22.498 324 H GLU 40 H GLU 40 32.600 12.073 -24.971 325 HA GLU 40 HA GLU 40 33.404 14.305 -26.523 326 HB2 GLU 40 HB2 GLU 40 33.452 12.997 -28.726 327 HB3 GLU 40 HB3 GLU 40 34.885 12.928 -27.711 328 HG2 GLU 40 HG2 GLU 40 33.250 10.795 -26.905 329 HG3 GLU 40 HG3 GLU 40 33.237 10.798 -28.667 330 H LEU 41 H LEU 41 31.385 11.433 -26.259 331 HA LEU 41 HA LEU 41 29.203 12.829 -27.636 332 HB2 LEU 41 HB2 LEU 41 28.093 10.561 -27.511 333 HB3 LEU 41 HB3 LEU 41 29.511 10.692 -28.549 334 HG LEU 41 HG LEU 41 29.226 8.601 -27.062 335 HD11 LEU 41 HD11 LEU 41 31.897 9.403 -26.455 336 HD12 LEU 41 HD12 LEU 41 31.459 10.004 -28.054 337 HD13 LEU 41 HD13 LEU 41 31.325 8.283 -27.691 338 HD21 LEU 41 HD21 LEU 41 30.373 10.512 -25.030 339 HD22 LEU 41 HD22 LEU 41 30.104 8.781 -24.824 340 HD23 LEU 41 HD23 LEU 41 28.729 9.872 -24.999 341 H ALA 42 H ALA 42 30.318 12.838 -24.666 342 HA ALA 42 HA ALA 42 28.297 11.982 -22.955 343 HB1 ALA 42 HB1 ALA 42 29.209 14.006 -21.530 344 HB2 ALA 42 HB2 ALA 42 30.184 12.561 -21.804 345 HB3 ALA 42 HB3 ALA 42 30.464 14.010 -22.770 346 H GLU 43 H GLU 43 28.467 14.779 -25.011 347 HA GLU 43 HA GLU 43 26.463 16.326 -23.736 348 HB2 GLU 43 HB2 GLU 43 27.473 16.326 -26.583 349 HB3 GLU 43 HB3 GLU 43 26.340 17.510 -25.946 350 HG2 GLU 43 HG2 GLU 43 27.964 18.327 -24.393 351 HG3 GLU 43 HG3 GLU 43 29.086 17.034 -24.816 352 H SER 44 H SER 44 26.394 13.794 -26.162 353 HA SER 44 HA SER 44 23.767 14.123 -27.073 354 HB2 SER 44 HB2 SER 44 23.986 12.014 -28.070 355 HB3 SER 44 HB3 SER 44 25.655 12.571 -27.950 356 HG SER 44 HG SER 44 25.697 11.367 -25.905 357 H TYR 45 H TYR 45 25.035 12.703 -24.160 358 HA TYR 45 HA TYR 45 22.965 11.075 -23.338 359 HB2 TYR 45 HB2 TYR 45 24.987 11.153 -22.059 360 HB3 TYR 45 HB3 TYR 45 24.782 12.869 -21.725 361 HD1 TYR 45 HD1 TYR 45 23.122 13.626 -20.083 362 HD2 TYR 45 HD2 TYR 45 23.798 9.485 -20.791 363 HE1 TYR 45 HE1 TYR 45 21.950 13.083 -17.990 364 HE2 TYR 45 HE2 TYR 45 22.627 8.931 -18.700 365 HH TYR 45 HH TYR 45 22.199 10.378 -16.391 366 H THR 46 H THR 46 23.329 14.567 -22.765 367 HA THR 46 HA THR 46 20.810 14.832 -21.458 368 HB THR 46 HB THR 46 21.165 17.237 -21.603 369 HG1 THR 46 HG1 THR 46 23.087 17.972 -22.732 370 HG21 THR 46 HG21 THR 46 23.215 17.399 -20.363 371 HG22 THR 46 HG22 THR 46 23.800 15.878 -21.036 372 HG23 THR 46 HG23 THR 46 22.430 15.882 -19.926 373 H LYS 47 H LYS 47 21.848 14.865 -24.759 374 HA LYS 47 HA LYS 47 19.654 16.294 -25.857 375 HB2 LYS 47 HB2 LYS 47 21.693 16.051 -27.129 376 HB3 LYS 47 HB3 LYS 47 21.560 14.298 -27.088 377 HG2 LYS 47 HG2 LYS 47 20.922 15.242 -29.259 378 HG3 LYS 47 HG3 LYS 47 19.593 14.373 -28.486 379 HD2 LYS 47 HD2 LYS 47 18.770 16.436 -29.446 380 HD3 LYS 47 HD3 LYS 47 18.693 16.529 -27.684 381 HE2 LYS 47 HE2 LYS 47 19.906 18.387 -27.743 382 HE3 LYS 47 HE3 LYS 47 21.234 17.488 -28.474 383 HZ1 LYS 47 HZ1 LYS 47 19.152 19.106 -29.782 384 HZ2 LYS 47 HZ2 LYS 47 19.903 17.855 -30.638 385 HZ3 LYS 47 HZ3 LYS 47 20.827 19.128 -30.016 386 H VAL 48 H VAL 48 20.287 12.862 -25.286 387 HA VAL 48 HA VAL 48 17.605 12.192 -26.255 388 HB VAL 48 HB VAL 48 19.641 10.862 -26.975 389 HG11 VAL 48 HG11 VAL 48 19.440 9.400 -24.387 390 HG12 VAL 48 HG12 VAL 48 20.780 9.490 -25.532 391 HG13 VAL 48 HG13 VAL 48 20.432 10.856 -24.471 392 HG21 VAL 48 HG21 VAL 48 17.016 10.013 -26.241 393 HG22 VAL 48 HG22 VAL 48 18.048 9.423 -27.544 394 HG23 VAL 48 HG23 VAL 48 18.151 8.698 -25.940 395 H CYS 49 H CYS 49 18.152 13.597 -23.698 396 HA CYS 49 HA CYS 49 17.332 13.619 -21.578 397 HB2 CYS 49 HB2 CYS 49 15.631 11.694 -22.997 398 HB3 CYS 49 HB3 CYS 49 15.680 11.448 -21.255 399 HG CYS 49 HG CYS 49 13.467 12.942 -21.495 400 HA PRO 50 HA PRO 50 19.764 10.965 -19.076 401 HB2 PRO 50 HB2 PRO 50 18.284 10.708 -16.814 402 HB3 PRO 50 HB3 PRO 50 19.111 12.206 -17.256 403 HG2 PRO 50 HG2 PRO 50 16.235 11.455 -17.611 404 HG3 PRO 50 HG3 PRO 50 16.931 12.990 -17.059 405 HD2 PRO 50 HD2 PRO 50 16.049 12.617 -19.592 406 HD3 PRO 50 HD3 PRO 50 17.411 13.688 -19.202 407 H ASN 51 H ASN 51 19.342 9.168 -20.645 408 HA ASN 51 HA ASN 51 18.958 6.959 -21.029 409 HB2 ASN 51 HB2 ASN 51 18.081 6.749 -18.147 410 HB3 ASN 51 HB3 ASN 51 18.728 5.471 -19.172 411 HD21 ASN 51 HD21 ASN 51 20.875 6.749 -20.313 412 HD22 ASN 51 HD22 ASN 51 22.041 7.112 -19.090 413 H ARG 52 H ARG 52 17.295 6.745 -22.390 414 HA ARG 52 HA ARG 52 14.587 6.660 -21.239 415 HB2 ARG 52 HB2 ARG 52 15.512 8.015 -23.763 416 HB3 ARG 52 HB3 ARG 52 13.834 7.545 -23.527 417 HG2 ARG 52 HG2 ARG 52 13.996 8.889 -21.335 418 HG3 ARG 52 HG3 ARG 52 15.438 9.600 -22.063 419 HD2 ARG 52 HD2 ARG 52 12.635 9.635 -23.173 420 HD3 ARG 52 HD3 ARG 52 13.538 11.005 -22.528 421 HE ARG 52 HE ARG 52 14.802 9.687 -24.759 422 HH11 ARG 52 HH11 ARG 52 12.576 12.168 -23.753 423 HH12 ARG 52 HH12 ARG 52 12.747 13.093 -25.209 424 HH21 ARG 52 HH21 ARG 52 15.034 10.895 -26.679 425 HH22 ARG 52 HH22 ARG 52 14.144 12.367 -26.873 426 H CYS 53 H CYS 53 16.403 4.483 -21.715 427 HA CYS 53 HA CYS 53 15.149 3.120 -23.996 428 HB2 CYS 53 HB2 CYS 53 17.690 2.500 -22.480 429 HB3 CYS 53 HB3 CYS 53 17.031 1.490 -23.761 430 HG CYS 53 HG CYS 53 17.325 3.419 -25.755 431 H ASP 54 H ASP 54 16.599 1.829 -21.028 432 HA ASP 54 HA ASP 54 14.265 1.080 -19.711 433 HB2 ASP 54 HB2 ASP 54 14.979 -0.653 -21.952 434 HB3 ASP 54 HB3 ASP 54 14.857 -1.527 -20.428 435 H LEU 55 H LEU 55 17.025 -1.015 -20.501 436 HA LEU 55 HA LEU 55 17.592 -1.573 -17.787 437 HB2 LEU 55 HB2 LEU 55 19.716 -2.541 -18.712 438 HB3 LEU 55 HB3 LEU 55 18.221 -3.186 -19.388 439 HG LEU 55 HG LEU 55 19.392 -0.967 -20.914 440 HD11 LEU 55 HD11 LEU 55 21.026 -3.251 -20.119 441 HD12 LEU 55 HD12 LEU 55 21.495 -1.717 -20.849 442 HD13 LEU 55 HD13 LEU 55 20.909 -3.034 -21.865 443 HD21 LEU 55 HD21 LEU 55 18.479 -2.068 -22.687 444 HD22 LEU 55 HD22 LEU 55 17.463 -2.717 -21.400 445 HD23 LEU 55 HD23 LEU 55 18.817 -3.664 -22.016 446 H ALA 56 H ALA 56 18.923 0.721 -20.104 447 HA ALA 56 HA ALA 56 21.106 1.567 -18.500 448 HB1 ALA 56 HB1 ALA 56 19.688 2.838 -20.829 449 HB2 ALA 56 HB2 ALA 56 21.089 3.565 -20.041 450 HB3 ALA 56 HB3 ALA 56 21.235 1.992 -20.825 451 H THR 57 H THR 57 17.738 2.450 -18.654 452 HA THR 57 HA THR 57 18.067 4.851 -17.084 453 HB THR 57 HB THR 57 15.517 3.390 -17.796 454 HG1 THR 57 HG1 THR 57 16.425 4.054 -19.701 455 HG21 THR 57 HG21 THR 57 15.285 4.942 -15.910 456 HG22 THR 57 HG22 THR 57 14.431 5.531 -17.336 457 HG23 THR 57 HG23 THR 57 15.986 6.232 -16.886 458 H ALA 58 H ALA 58 17.005 1.530 -16.562 459 HA ALA 58 HA ALA 58 16.215 1.976 -13.839 460 HB1 ALA 58 HB1 ALA 58 16.400 -0.665 -13.908 461 HB2 ALA 58 HB2 ALA 58 15.057 0.196 -14.662 462 HB3 ALA 58 HB3 ALA 58 16.406 -0.370 -15.647 463 H ALA 59 H ALA 59 19.081 0.743 -15.480 464 HA ALA 59 HA ALA 59 20.422 -0.162 -13.151 465 HB1 ALA 59 HB1 ALA 59 21.545 0.661 -15.826 466 HB2 ALA 59 HB2 ALA 59 22.422 -0.214 -14.571 467 HB3 ALA 59 HB3 ALA 59 21.034 -0.962 -15.362 468 H ASP 60 H ASP 60 20.500 2.880 -14.963 469 HA ASP 60 HA ASP 60 22.556 4.097 -13.455 470 HB2 ASP 60 HB2 ASP 60 21.822 4.888 -15.688 471 HB3 ASP 60 HB3 ASP 60 20.306 5.433 -14.974 472 H ARG 61 H ARG 61 19.035 4.095 -13.136 473 HA ARG 61 HA ARG 61 18.743 6.015 -11.156 474 HB2 ARG 61 HB2 ARG 61 17.137 3.956 -12.328 475 HB3 ARG 61 HB3 ARG 61 16.920 3.918 -10.583 476 HG2 ARG 61 HG2 ARG 61 15.255 5.341 -11.551 477 HG3 ARG 61 HG3 ARG 61 16.394 6.334 -10.639 478 HD2 ARG 61 HD2 ARG 61 17.048 5.932 -13.481 479 HD3 ARG 61 HD3 ARG 61 15.589 6.870 -13.164 480 HE ARG 61 HE ARG 61 18.312 7.664 -12.657 481 HH11 ARG 61 HH11 ARG 61 14.963 8.179 -11.859 482 HH12 ARG 61 HH12 ARG 61 15.211 9.799 -11.297 483 HH21 ARG 61 HH21 ARG 61 18.652 9.795 -11.920 484 HH22 ARG 61 HH22 ARG 61 17.310 10.717 -11.332 485 H ALA 62 H ALA 62 19.314 2.524 -10.791 486 HA ALA 62 HA ALA 62 19.419 2.617 -7.943 487 HB1 ALA 62 HB1 ALA 62 18.939 0.609 -9.504 488 HB2 ALA 62 HB2 ALA 62 20.694 0.444 -9.555 489 HB3 ALA 62 HB3 ALA 62 19.843 0.342 -8.014 490 H ALA 63 H ALA 63 21.919 2.319 -10.461 491 HA ALA 63 HA ALA 63 24.150 2.221 -8.808 492 HB1 ALA 63 HB1 ALA 63 24.156 1.807 -11.251 493 HB2 ALA 63 HB2 ALA 63 24.010 3.545 -11.512 494 HB3 ALA 63 HB3 ALA 63 25.444 2.890 -10.722 495 H LYS 64 H LYS 64 22.146 4.918 -9.710 496 HA LYS 64 HA LYS 64 23.898 7.031 -9.133 497 HB2 LYS 64 HB2 LYS 64 20.926 6.730 -9.237 498 HB3 LYS 64 HB3 LYS 64 21.603 8.201 -8.552 499 HG2 LYS 64 HG2 LYS 64 22.833 7.492 -11.084 500 HG3 LYS 64 HG3 LYS 64 21.088 7.724 -11.214 501 HD2 LYS 64 HD2 LYS 64 22.162 9.832 -11.608 502 HD3 LYS 64 HD3 LYS 64 21.358 9.905 -10.037 503 HE2 LYS 64 HE2 LYS 64 23.346 9.866 -8.871 504 HE3 LYS 64 HE3 LYS 64 24.220 9.071 -10.179 505 HZ1 LYS 64 HZ1 LYS 64 24.425 11.668 -9.622 506 HZ2 LYS 64 HZ2 LYS 64 23.198 11.716 -10.786 507 HZ3 LYS 64 HZ3 LYS 64 24.693 11.019 -11.161 508 H GLY 65 H GLY 65 22.246 4.824 -7.070 509 HA2 GLY 65 HA2 GLY 65 23.236 4.705 -4.795 510 HA3 GLY 65 HA3 GLY 65 23.040 6.451 -4.733 511 H ALA 66 H ALA 66 20.532 4.687 -6.270 512 HA ALA 66 HA ALA 66 18.319 4.461 -5.765 513 HB1 ALA 66 HB1 ALA 66 19.018 2.577 -4.520 514 HB2 ALA 66 HB2 ALA 66 19.610 3.581 -3.195 515 HB3 ALA 66 HB3 ALA 66 17.877 3.448 -3.495 516 H TYR 67 H TYR 67 18.436 6.940 -5.933 517 HA TYR 67 HA TYR 67 18.427 8.657 -3.780 518 HB2 TYR 67 HB2 TYR 67 17.380 8.711 -6.519 519 HB3 TYR 67 HB3 TYR 67 16.504 9.758 -5.407 520 HD1 TYR 67 HD1 TYR 67 19.867 9.016 -6.775 521 HD2 TYR 67 HD2 TYR 67 17.428 11.809 -4.688 522 HE1 TYR 67 HE1 TYR 67 21.634 10.713 -6.992 523 HE2 TYR 67 HE2 TYR 67 19.188 13.514 -4.900 524 HH TYR 67 HH TYR 67 21.120 13.988 -6.397 525 H GLY 68 H GLY 68 17.367 8.215 -1.935 526 HA2 GLY 68 HA2 GLY 68 14.810 6.955 -1.843 527 HA3 GLY 68 HA3 GLY 68 15.652 7.695 -0.489 528 H TYR 69 H TYR 69 13.614 8.510 0.230 529 HA TYR 69 HA TYR 69 12.018 10.110 0.478 530 HB2 TYR 69 HB2 TYR 69 14.365 11.430 -0.490 531 HB3 TYR 69 HB3 TYR 69 12.951 12.206 -1.195 532 HD1 TYR 69 HD1 TYR 69 13.631 10.715 2.168 533 HD2 TYR 69 HD2 TYR 69 12.472 14.152 -0.056 534 HE1 TYR 69 HE1 TYR 69 13.265 11.943 4.268 535 HE2 TYR 69 HE2 TYR 69 12.104 15.390 2.037 536 HH TYR 69 HH TYR 69 11.699 14.061 4.912 537 H ASP 70 H ASP 70 10.363 9.043 -0.597 538 HA ASP 70 HA ASP 70 9.620 10.239 -3.155 539 HB2 ASP 70 HB2 ASP 70 10.748 7.726 -3.106 540 HB3 ASP 70 HB3 ASP 70 9.023 7.372 -3.070 541 H VAL 71 H VAL 71 7.656 11.046 -2.902 542 HA VAL 71 HA VAL 71 5.975 10.547 -0.730 543 HB VAL 71 HB VAL 71 5.864 12.562 -2.198 544 HG11 VAL 71 HG11 VAL 71 4.042 11.167 -4.067 545 HG12 VAL 71 HG12 VAL 71 5.128 12.530 -4.344 546 HG13 VAL 71 HG13 VAL 71 5.771 10.889 -4.278 547 HG21 VAL 71 HG21 VAL 71 3.354 11.003 -1.632 548 HG22 VAL 71 HG22 VAL 71 4.093 12.275 -0.659 549 HG23 VAL 71 HG23 VAL 71 3.335 12.672 -2.201 550 H GLN 72 H GLN 72 6.311 8.892 -3.762 551 HA GLN 72 HA GLN 72 4.834 6.654 -2.901 552 HB2 GLN 72 HB2 GLN 72 2.993 8.359 -3.395 553 HB3 GLN 72 HB3 GLN 72 3.431 8.177 -5.088 554 HG2 GLN 72 HG2 GLN 72 1.525 6.786 -4.506 555 HG3 GLN 72 HG3 GLN 72 2.909 5.808 -4.991 556 HE21 GLN 72 HE21 GLN 72 2.186 7.389 -1.912 557 HE22 GLN 72 HE22 GLN 72 2.190 5.944 -0.967 558 H LEU 73 H LEU 73 7.339 6.915 -3.936 559 HA LEU 73 HA LEU 73 8.770 6.181 -5.550 560 HB2 LEU 73 HB2 LEU 73 6.449 4.364 -6.183 561 HB3 LEU 73 HB3 LEU 73 8.123 4.113 -6.676 562 HG LEU 73 HG LEU 73 7.867 2.664 -4.883 563 HD11 LEU 73 HD11 LEU 73 8.763 4.989 -3.258 564 HD12 LEU 73 HD12 LEU 73 9.704 4.536 -4.678 565 HD13 LEU 73 HD13 LEU 73 9.443 3.367 -3.384 566 HD21 LEU 73 HD21 LEU 73 6.624 4.714 -3.099 567 HD22 LEU 73 HD22 LEU 73 6.529 2.954 -3.026 568 HD23 LEU 73 HD23 LEU 73 5.629 3.835 -4.261 569 H THR 74 H THR 74 7.213 8.449 -6.271 570 HA THR 74 HA THR 74 6.152 8.200 -8.892 571 HB THR 74 HB THR 74 7.195 10.693 -7.536 572 HG1 THR 74 HG1 THR 74 4.476 9.945 -7.685 573 HG21 THR 74 HG21 THR 74 5.949 10.174 -10.120 574 HG22 THR 74 HG22 THR 74 6.787 11.613 -9.539 575 HG23 THR 74 HG23 THR 74 5.079 11.376 -9.167 576 H THR 75 H THR 75 9.345 8.474 -7.658 577 HA THR 75 HA THR 75 10.626 9.692 -9.853 578 HB THR 75 HB THR 75 12.703 8.783 -8.970 579 HG1 THR 75 HG1 THR 75 12.667 6.935 -7.957 580 HG21 THR 75 HG21 THR 75 11.853 10.705 -7.804 581 HG22 THR 75 HG22 THR 75 12.518 9.589 -6.612 582 HG23 THR 75 HG23 THR 75 10.772 9.700 -6.838 583 H LEU 76 H LEU 76 10.202 6.257 -9.015 584 HA LEU 76 HA LEU 76 11.396 5.342 -11.451 585 HB2 LEU 76 HB2 LEU 76 11.200 4.145 -9.166 586 HB3 LEU 76 HB3 LEU 76 9.593 3.686 -9.725 587 HG LEU 76 HG LEU 76 11.014 2.843 -11.823 588 HD11 LEU 76 HD11 LEU 76 13.090 3.683 -10.466 589 HD12 LEU 76 HD12 LEU 76 13.161 2.176 -11.377 590 HD13 LEU 76 HD13 LEU 76 12.906 2.140 -9.632 591 HD21 LEU 76 HD21 LEU 76 9.669 1.248 -10.907 592 HD22 LEU 76 HD22 LEU 76 10.220 1.567 -9.262 593 HD23 LEU 76 HD23 LEU 76 11.235 0.640 -10.367 594 H LYS 77 H LYS 77 8.126 5.924 -10.314 595 HA LYS 77 HA LYS 77 6.788 4.651 -12.467 596 HB2 LYS 77 HB2 LYS 77 6.065 6.011 -10.091 597 HB3 LYS 77 HB3 LYS 77 5.246 6.830 -11.414 598 HG2 LYS 77 HG2 LYS 77 3.679 5.266 -11.158 599 HG3 LYS 77 HG3 LYS 77 4.801 4.207 -12.017 600 HD2 LYS 77 HD2 LYS 77 4.883 4.535 -9.030 601 HD3 LYS 77 HD3 LYS 77 3.836 3.350 -9.814 602 HE2 LYS 77 HE2 LYS 77 5.589 1.969 -9.717 603 HE3 LYS 77 HE3 LYS 77 6.265 2.929 -11.031 604 HZ1 LYS 77 HZ1 LYS 77 7.805 2.642 -9.155 605 HZ2 LYS 77 HZ2 LYS 77 6.723 3.463 -8.146 606 HZ3 LYS 77 HZ3 LYS 77 7.445 4.269 -9.446 607 H GLU 78 H GLU 78 7.951 7.933 -11.925 608 HA GLU 78 HA GLU 78 6.756 8.996 -14.302 609 HB2 GLU 78 HB2 GLU 78 7.198 10.488 -12.462 610 HB3 GLU 78 HB3 GLU 78 8.904 10.063 -12.466 611 HG2 GLU 78 HG2 GLU 78 9.173 11.102 -14.649 612 HG3 GLU 78 HG3 GLU 78 7.457 11.504 -14.677 613 H ASP 79 H ASP 79 9.704 7.365 -13.530 614 HA ASP 79 HA ASP 79 11.154 8.230 -15.851 615 HB2 ASP 79 HB2 ASP 79 11.612 6.343 -13.608 616 HB3 ASP 79 HB3 ASP 79 12.482 6.011 -15.104 617 H ILE 80 H ILE 80 9.510 5.221 -14.906 618 HA ILE 80 HA ILE 80 10.004 3.789 -17.258 619 HB ILE 80 HB ILE 80 9.171 2.670 -15.282 620 HG12 ILE 80 HG12 ILE 80 7.392 1.301 -16.304 621 HG13 ILE 80 HG13 ILE 80 7.175 2.523 -17.552 622 HG21 ILE 80 HG21 ILE 80 6.551 4.089 -15.729 623 HG22 ILE 80 HG22 ILE 80 6.947 2.966 -14.428 624 HG23 ILE 80 HG23 ILE 80 7.736 4.542 -14.504 625 HD11 ILE 80 HD11 ILE 80 9.485 2.130 -18.295 626 HD12 ILE 80 HD12 ILE 80 9.634 0.854 -17.088 627 HD13 ILE 80 HD13 ILE 80 8.475 0.689 -18.407 628 H ARG 81 H ARG 81 7.401 6.021 -16.410 629 HA ARG 81 HA ARG 81 5.897 5.577 -18.793 630 HB2 ARG 81 HB2 ARG 81 4.525 7.401 -18.078 631 HB3 ARG 81 HB3 ARG 81 4.962 6.477 -16.648 632 HG2 ARG 81 HG2 ARG 81 6.670 8.122 -16.091 633 HG3 ARG 81 HG3 ARG 81 6.261 9.042 -17.540 634 HD2 ARG 81 HD2 ARG 81 4.526 8.532 -15.132 635 HD3 ARG 81 HD3 ARG 81 5.176 10.077 -15.680 636 HE ARG 81 HE ARG 81 3.688 9.289 -17.780 637 HH11 ARG 81 HH11 ARG 81 3.019 9.521 -14.372 638 HH12 ARG 81 HH12 ARG 81 1.333 9.852 -14.593 639 HH21 ARG 81 HH21 ARG 81 1.470 9.724 -18.084 640 HH22 ARG 81 HH22 ARG 81 0.452 9.966 -16.705 641 H LEU 82 H LEU 82 8.474 7.748 -17.862 642 HA LEU 82 HA LEU 82 8.224 9.600 -19.975 643 HB2 LEU 82 HB2 LEU 82 9.550 9.958 -17.915 644 HB3 LEU 82 HB3 LEU 82 10.723 8.781 -18.501 645 HG LEU 82 HG LEU 82 11.274 11.266 -18.765 646 HD11 LEU 82 HD11 LEU 82 12.690 10.734 -20.452 647 HD12 LEU 82 HD12 LEU 82 11.430 9.972 -21.422 648 HD13 LEU 82 HD13 LEU 82 12.139 9.105 -20.059 649 HD21 LEU 82 HD21 LEU 82 10.205 12.553 -20.311 650 HD22 LEU 82 HD22 LEU 82 8.851 11.544 -19.801 651 HD23 LEU 82 HD23 LEU 82 9.718 11.171 -21.292 652 H MET 83 H MET 83 9.907 6.522 -19.683 653 HA MET 83 HA MET 83 11.354 6.709 -22.113 654 HB2 MET 83 HB2 MET 83 10.480 4.262 -20.567 655 HB3 MET 83 HB3 MET 83 11.670 4.273 -21.862 656 HG2 MET 83 HG2 MET 83 12.915 5.989 -20.400 657 HG3 MET 83 HG3 MET 83 11.879 5.400 -19.102 658 HE1 MET 83 HE1 MET 83 12.425 1.733 -19.055 659 HE2 MET 83 HE2 MET 83 12.945 2.738 -17.702 660 HE3 MET 83 HE3 MET 83 11.482 3.152 -18.597 661 H VAL 84 H VAL 84 8.376 4.931 -21.280 662 HA VAL 84 HA VAL 84 7.819 3.973 -23.845 663 HB VAL 84 HB VAL 84 6.665 3.090 -21.907 664 HG11 VAL 84 HG11 VAL 84 5.255 5.750 -21.733 665 HG12 VAL 84 HG12 VAL 84 4.985 4.346 -20.699 666 HG13 VAL 84 HG13 VAL 84 6.526 5.203 -20.641 667 HG21 VAL 84 HG21 VAL 84 4.826 2.558 -23.079 668 HG22 VAL 84 HG22 VAL 84 4.330 4.242 -23.247 669 HG23 VAL 84 HG23 VAL 84 5.534 3.564 -24.343 670 H ASN 85 H ASN 85 7.205 7.082 -22.371 671 HA ASN 85 HA ASN 85 5.290 8.059 -24.177 672 HB2 ASN 85 HB2 ASN 85 7.246 9.312 -22.295 673 HB3 ASN 85 HB3 ASN 85 6.427 10.338 -23.469 674 HD21 ASN 85 HD21 ASN 85 6.257 10.138 -20.511 675 HD22 ASN 85 HD22 ASN 85 4.575 9.930 -20.173 676 H ASN 86 H ASN 86 8.827 8.489 -24.145 677 HA ASN 86 HA ASN 86 8.842 9.788 -26.700 678 HB2 ASN 86 HB2 ASN 86 10.543 10.023 -24.753 679 HB3 ASN 86 HB3 ASN 86 11.268 8.562 -25.416 680 HD21 ASN 86 HD21 ASN 86 10.181 11.794 -26.358 681 HD22 ASN 86 HD22 ASN 86 11.422 12.059 -27.530 682 H CYS 87 H CYS 87 8.867 6.540 -25.622 683 HA CYS 87 HA CYS 87 10.293 5.270 -27.662 684 HB2 CYS 87 HB2 CYS 87 8.166 4.451 -25.745 685 HB3 CYS 87 HB3 CYS 87 8.487 3.386 -27.108 686 HG CYS 87 HG CYS 87 10.396 4.049 -24.411 687 H ILE 88 H ILE 88 6.760 5.705 -27.408 688 HA ILE 88 HA ILE 88 6.383 4.950 -30.163 689 HB ILE 88 HB ILE 88 4.029 5.313 -29.789 690 HG12 ILE 88 HG12 ILE 88 3.626 5.999 -27.178 691 HG13 ILE 88 HG13 ILE 88 5.033 6.980 -27.574 692 HG21 ILE 88 HG21 ILE 88 3.789 3.448 -28.573 693 HG22 ILE 88 HG22 ILE 88 5.550 3.455 -28.491 694 HG23 ILE 88 HG23 ILE 88 4.603 4.142 -27.171 695 HD11 ILE 88 HD11 ILE 88 2.271 7.088 -28.683 696 HD12 ILE 88 HD12 ILE 88 3.302 8.392 -28.093 697 HD13 ILE 88 HD13 ILE 88 3.629 7.649 -29.659 698 H LEU 89 H LEU 89 6.628 7.909 -28.330 699 HA LEU 89 HA LEU 89 5.533 9.644 -30.292 700 HB2 LEU 89 HB2 LEU 89 5.793 10.200 -27.889 701 HB3 LEU 89 HB3 LEU 89 7.537 10.282 -28.132 702 HG LEU 89 HG LEU 89 6.371 12.020 -30.023 703 HD11 LEU 89 HD11 LEU 89 4.855 13.339 -28.932 704 HD12 LEU 89 HD12 LEU 89 5.431 12.872 -27.332 705 HD13 LEU 89 HD13 LEU 89 4.432 11.761 -28.268 706 HD21 LEU 89 HD21 LEU 89 7.617 12.891 -27.441 707 HD22 LEU 89 HD22 LEU 89 7.769 13.602 -29.048 708 HD23 LEU 89 HD23 LEU 89 8.570 12.074 -28.681 709 H PHE 90 H PHE 90 8.934 9.373 -29.246 710 HA PHE 90 HA PHE 90 10.007 10.716 -31.451 711 HB2 PHE 90 HB2 PHE 90 11.068 9.959 -29.154 712 HB3 PHE 90 HB3 PHE 90 11.584 8.566 -30.099 713 HD1 PHE 90 HD1 PHE 90 12.441 9.467 -32.592 714 HD2 PHE 90 HD2 PHE 90 12.738 11.488 -28.858 715 HE1 PHE 90 HE1 PHE 90 14.357 10.755 -33.445 716 HE2 PHE 90 HE2 PHE 90 14.653 12.779 -29.705 717 HZ PHE 90 HZ PHE 90 15.465 12.414 -32.002 718 H ASN 91 H ASN 91 10.142 7.206 -30.813 719 HA ASN 91 HA ASN 91 9.261 6.368 -33.312 720 HB2 ASN 91 HB2 ASN 91 11.905 7.424 -33.410 721 HB3 ASN 91 HB3 ASN 91 12.013 5.681 -33.635 722 HD21 ASN 91 HD21 ASN 91 10.243 4.827 -35.168 723 HD22 ASN 91 HD22 ASN 91 10.050 5.717 -36.637 724 H GLY 92 H GLY 92 8.462 4.476 -32.683 725 HA2 GLY 92 HA2 GLY 92 10.150 2.349 -31.830 726 HA3 GLY 92 HA3 GLY 92 9.227 2.988 -30.477 727 H ALA 93 H ALA 93 6.812 3.221 -30.947 728 HA ALA 93 HA ALA 93 5.916 0.696 -32.130 729 HB1 ALA 93 HB1 ALA 93 5.314 1.303 -29.769 730 HB2 ALA 93 HB2 ALA 93 4.301 2.586 -30.433 731 HB3 ALA 93 HB3 ALA 93 3.950 0.900 -30.812 732 H GLU 94 H GLU 94 4.425 3.923 -31.853 733 HA GLU 94 HA GLU 94 3.241 5.183 -33.331 734 HB2 GLU 94 HB2 GLU 94 5.572 4.554 -34.600 735 HB3 GLU 94 HB3 GLU 94 4.385 3.945 -35.745 736 HG2 GLU 94 HG2 GLU 94 3.468 6.051 -36.106 737 HG3 GLU 94 HG3 GLU 94 4.170 6.713 -34.631 738 H GLY 95 H GLY 95 2.493 2.289 -32.673 739 HA2 GLY 95 HA2 GLY 95 0.014 2.200 -33.899 740 HA3 GLY 95 HA3 GLY 95 1.090 1.267 -34.929 741 H ALA 96 H ALA 96 2.704 0.405 -32.594 742 HA ALA 96 HA ALA 96 0.800 -1.557 -31.488 743 HB1 ALA 96 HB1 ALA 96 2.665 -3.152 -31.393 744 HB2 ALA 96 HB2 ALA 96 2.338 -2.613 -33.040 745 HB3 ALA 96 HB3 ALA 96 3.714 -1.956 -32.155 746 H TYR 97 H TYR 97 0.825 0.586 -30.022 747 HA TYR 97 HA TYR 97 2.857 1.117 -28.232 748 HB2 TYR 97 HB2 TYR 97 1.099 1.975 -26.722 749 HB3 TYR 97 HB3 TYR 97 0.862 2.505 -28.384 750 HD1 TYR 97 HD1 TYR 97 -0.995 1.643 -29.712 751 HD2 TYR 97 HD2 TYR 97 -0.450 0.444 -25.666 752 HE1 TYR 97 HE1 TYR 97 -3.289 0.758 -29.671 753 HE2 TYR 97 HE2 TYR 97 -2.742 -0.445 -25.615 754 HH TYR 97 HH TYR 97 -4.505 -1.072 -26.938 755 H ALA 98 H ALA 98 0.627 -1.555 -28.296 756 HA ALA 98 HA ALA 98 0.766 -2.467 -25.680 757 HB1 ALA 98 HB1 ALA 98 0.201 -4.666 -26.565 758 HB2 ALA 98 HB2 ALA 98 -0.742 -3.406 -27.361 759 HB3 ALA 98 HB3 ALA 98 0.633 -4.135 -28.190 760 H ASP 99 H ASP 99 3.140 -2.605 -28.218 761 HA ASP 99 HA ASP 99 4.772 -4.661 -27.215 762 HB2 ASP 99 HB2 ASP 99 5.327 -2.275 -28.968 763 HB3 ASP 99 HB3 ASP 99 6.603 -3.400 -28.510 764 H ALA 100 H ALA 100 4.751 -1.175 -26.604 765 HA ALA 100 HA ALA 100 7.010 -1.314 -24.819 766 HB1 ALA 100 HB1 ALA 100 7.011 0.948 -24.865 767 HB2 ALA 100 HB2 ALA 100 6.035 0.683 -26.311 768 HB3 ALA 100 HB3 ALA 100 5.253 1.062 -24.776 769 H ALA 101 H ALA 101 3.593 -1.641 -24.569 770 HA ALA 101 HA ALA 101 3.290 -0.908 -21.843 771 HB1 ALA 101 HB1 ALA 101 1.104 -1.484 -22.083 772 HB2 ALA 101 HB2 ALA 101 1.533 -1.338 -23.788 773 HB3 ALA 101 HB3 ALA 101 1.471 -2.928 -23.027 774 H ARG 102 H ARG 102 4.268 -3.835 -23.470 775 HA ARG 102 HA ARG 102 3.844 -5.687 -21.412 776 HB2 ARG 102 HB2 ARG 102 4.685 -5.920 -23.934 777 HB3 ARG 102 HB3 ARG 102 6.251 -5.981 -23.137 778 HG2 ARG 102 HG2 ARG 102 5.436 -8.214 -23.481 779 HG3 ARG 102 HG3 ARG 102 5.438 -7.853 -21.753 780 HD2 ARG 102 HD2 ARG 102 2.928 -7.049 -22.627 781 HD3 ARG 102 HD3 ARG 102 3.235 -8.549 -23.502 782 HE ARG 102 HE ARG 102 2.773 -8.249 -20.678 783 HH11 ARG 102 HH11 ARG 102 4.166 -10.250 -23.163 784 HH12 ARG 102 HH12 ARG 102 4.080 -11.703 -22.224 785 HH21 ARG 102 HH21 ARG 102 2.654 -10.155 -19.431 786 HH22 ARG 102 HH22 ARG 102 3.219 -11.648 -20.101 787 H THR 103 H THR 103 6.789 -3.858 -22.238 788 HA THR 103 HA THR 103 8.305 -4.787 -20.042 789 HB THR 103 HB THR 103 9.415 -3.830 -21.975 790 HG1 THR 103 HG1 THR 103 10.513 -3.615 -19.991 791 HG21 THR 103 HG21 THR 103 9.343 -1.370 -22.355 792 HG22 THR 103 HG22 THR 103 8.042 -1.263 -21.171 793 HG23 THR 103 HG23 THR 103 7.804 -2.174 -22.663 794 H PHE 104 H PHE 104 6.039 -2.159 -20.433 795 HA PHE 104 HA PHE 104 6.741 -0.639 -18.175 796 HB2 PHE 104 HB2 PHE 104 5.274 0.245 -19.911 797 HB3 PHE 104 HB3 PHE 104 4.054 -0.965 -19.527 798 HD1 PHE 104 HD1 PHE 104 2.810 -0.837 -17.404 799 HD2 PHE 104 HD2 PHE 104 5.508 2.223 -18.619 800 HE1 PHE 104 HE1 PHE 104 1.800 0.699 -15.768 801 HE2 PHE 104 HE2 PHE 104 4.503 3.763 -16.984 802 HZ PHE 104 HZ PHE 104 2.648 3.001 -15.555 803 H GLU 105 H GLU 105 4.259 -3.160 -18.578 804 HA GLU 105 HA GLU 105 3.289 -3.166 -15.970 805 HB2 GLU 105 HB2 GLU 105 3.453 -5.309 -18.075 806 HB3 GLU 105 HB3 GLU 105 2.747 -5.630 -16.497 807 HG2 GLU 105 HG2 GLU 105 1.001 -4.098 -16.846 808 HG3 GLU 105 HG3 GLU 105 1.810 -3.373 -18.234 809 H LYS 106 H LYS 106 5.966 -5.006 -17.389 810 HA LYS 106 HA LYS 106 6.619 -6.640 -15.265 811 HB2 LYS 106 HB2 LYS 106 8.215 -5.379 -17.457 812 HB3 LYS 106 HB3 LYS 106 9.060 -6.236 -16.174 813 HG2 LYS 106 HG2 LYS 106 6.821 -7.744 -17.258 814 HG3 LYS 106 HG3 LYS 106 8.044 -7.349 -18.467 815 HD2 LYS 106 HD2 LYS 106 9.710 -8.169 -16.629 816 HD3 LYS 106 HD3 LYS 106 8.289 -8.992 -15.982 817 HE2 LYS 106 HE2 LYS 106 8.603 -9.331 -18.860 818 HE3 LYS 106 HE3 LYS 106 9.970 -9.955 -17.938 819 HZ1 LYS 106 HZ1 LYS 106 8.000 -10.957 -16.513 820 HZ2 LYS 106 HZ2 LYS 106 8.631 -11.759 -17.863 821 HZ3 LYS 106 HZ3 LYS 106 7.200 -10.867 -18.001 822 H PHE 107 H PHE 107 7.673 -3.304 -15.862 823 HA PHE 107 HA PHE 107 9.414 -3.018 -13.716 824 HB2 PHE 107 HB2 PHE 107 7.897 -1.209 -15.473 825 HB3 PHE 107 HB3 PHE 107 8.303 -0.527 -13.902 826 HD1 PHE 107 HD1 PHE 107 9.999 -2.603 -16.504 827 HD2 PHE 107 HD2 PHE 107 10.220 0.716 -13.848 828 HE1 PHE 107 HE1 PHE 107 12.271 -2.112 -17.310 829 HE2 PHE 107 HE2 PHE 107 12.492 1.212 -14.651 830 HZ PHE 107 HZ PHE 107 13.520 -0.202 -16.385 831 H ALA 108 H ALA 108 5.929 -2.318 -13.856 832 HA ALA 108 HA ALA 108 5.553 -1.384 -11.283 833 HB1 ALA 108 HB1 ALA 108 3.756 -1.233 -12.814 834 HB2 ALA 108 HB2 ALA 108 3.729 -2.979 -13.066 835 HB3 ALA 108 HB3 ALA 108 3.214 -2.303 -11.521 836 H MET 109 H MET 109 5.701 -4.724 -12.431 837 HA MET 109 HA MET 109 4.918 -6.005 -10.073 838 HB2 MET 109 HB2 MET 109 5.501 -6.886 -12.521 839 HB3 MET 109 HB3 MET 109 7.036 -7.259 -11.747 840 HG2 MET 109 HG2 MET 109 6.095 -8.809 -10.322 841 HG3 MET 109 HG3 MET 109 4.480 -8.122 -10.476 842 HE1 MET 109 HE1 MET 109 7.149 -10.253 -11.530 843 HE2 MET 109 HE2 MET 109 6.359 -11.524 -12.464 844 HE3 MET 109 HE3 MET 109 7.077 -10.141 -13.290 845 H GLY 110 H GLY 110 8.114 -4.933 -11.166 846 HA2 GLY 110 HA2 GLY 110 9.642 -6.055 -9.107 847 HA3 GLY 110 HA3 GLY 110 10.080 -4.622 -10.025 848 H LYS 111 H LYS 111 8.149 -2.832 -9.302 849 HA LYS 111 HA LYS 111 9.088 -1.762 -6.938 850 HB2 LYS 111 HB2 LYS 111 7.608 -0.704 -8.772 851 HB3 LYS 111 HB3 LYS 111 6.252 -1.331 -7.843 852 HG2 LYS 111 HG2 LYS 111 8.255 0.215 -6.330 853 HG3 LYS 111 HG3 LYS 111 7.285 1.116 -7.497 854 HD2 LYS 111 HD2 LYS 111 6.053 -0.740 -5.478 855 HD3 LYS 111 HD3 LYS 111 6.385 0.955 -5.118 856 HE2 LYS 111 HE2 LYS 111 4.614 1.648 -6.288 857 HE3 LYS 111 HE3 LYS 111 5.013 0.609 -7.655 858 HZ1 LYS 111 HZ1 LYS 111 2.914 0.284 -5.940 859 HZ2 LYS 111 HZ2 LYS 111 4.030 -0.877 -5.422 860 HZ3 LYS 111 HZ3 LYS 111 3.499 -0.872 -7.028 861 H ILE 112 H ILE 112 6.223 -3.795 -7.437 862 HA ILE 112 HA ILE 112 5.233 -3.744 -4.830 863 HB ILE 112 HB ILE 112 5.107 -6.046 -6.782 864 HG12 ILE 112 HG12 ILE 112 3.060 -3.872 -6.324 865 HG13 ILE 112 HG13 ILE 112 4.268 -3.800 -7.602 866 HG21 ILE 112 HG21 ILE 112 3.824 -5.502 -4.164 867 HG22 ILE 112 HG22 ILE 112 2.837 -6.252 -5.418 868 HG23 ILE 112 HG23 ILE 112 4.327 -7.031 -4.885 869 HD11 ILE 112 HD11 ILE 112 2.906 -4.942 -8.908 870 HD12 ILE 112 HD12 ILE 112 3.014 -6.312 -7.802 871 HD13 ILE 112 HD13 ILE 112 1.743 -5.106 -7.593 872 H ASP 113 H ASP 113 7.695 -5.799 -6.305 873 HA ASP 113 HA ASP 113 8.019 -7.623 -4.206 874 HB2 ASP 113 HB2 ASP 113 9.513 -6.831 -6.596 875 HB3 ASP 113 HB3 ASP 113 10.547 -7.384 -5.281 876 H ALA 114 H ALA 114 9.802 -4.619 -4.895 877 HA ALA 114 HA ALA 114 11.444 -4.717 -2.608 878 HB1 ALA 114 HB1 ALA 114 11.713 -2.236 -3.043 879 HB2 ALA 114 HB2 ALA 114 12.134 -3.314 -4.374 880 HB3 ALA 114 HB3 ALA 114 10.597 -2.451 -4.392 881 H TYR 115 H TYR 115 8.250 -3.351 -3.178 882 HA TYR 115 HA TYR 115 7.932 -1.766 -0.945 883 HB2 TYR 115 HB2 TYR 115 6.222 -1.786 -2.610 884 HB3 TYR 115 HB3 TYR 115 5.941 -3.510 -2.396 885 HD1 TYR 115 HD1 TYR 115 6.271 -0.869 0.206 886 HD2 TYR 115 HD2 TYR 115 3.698 -3.635 -1.753 887 HE1 TYR 115 HE1 TYR 115 4.502 -0.373 1.841 888 HE2 TYR 115 HE2 TYR 115 1.922 -3.145 -0.124 889 HH TYR 115 HH TYR 115 2.072 -2.157 2.521 890 H ILE 116 H ILE 116 7.368 -5.260 -1.234 891 HA ILE 116 HA ILE 116 6.562 -5.612 1.468 892 HB ILE 116 HB ILE 116 7.694 -7.675 -0.425 893 HG12 ILE 116 HG12 ILE 116 5.740 -6.564 -1.389 894 HG13 ILE 116 HG13 ILE 116 5.339 -8.212 -0.919 895 HG21 ILE 116 HG21 ILE 116 7.609 -9.011 1.352 896 HG22 ILE 116 HG22 ILE 116 6.784 -7.787 2.317 897 HG23 ILE 116 HG23 ILE 116 5.853 -8.864 1.276 898 HD11 ILE 116 HD11 ILE 116 4.347 -7.303 1.169 899 HD12 ILE 116 HD12 ILE 116 4.622 -5.681 0.535 900 HD13 ILE 116 HD13 ILE 116 3.533 -6.784 -0.307 901 H SER 117 H SER 117 9.651 -5.794 -0.205 902 HA SER 117 HA SER 117 11.173 -7.022 1.787 903 HB2 SER 117 HB2 SER 117 11.673 -5.566 -0.665 904 HB3 SER 117 HB3 SER 117 12.868 -5.153 0.564 905 HG SER 117 HG SER 117 13.599 -7.163 0.557 906 H GLN 118 H GLN 118 9.996 -3.761 1.498 907 HA GLN 118 HA GLN 118 11.311 -3.107 4.052 908 HB2 GLN 118 HB2 GLN 118 11.347 -0.735 3.292 909 HB3 GLN 118 HB3 GLN 118 12.373 -1.797 2.338 910 HG2 GLN 118 HG2 GLN 118 10.088 -1.910 0.909 911 HG3 GLN 118 HG3 GLN 118 9.983 -0.277 1.566 912 HE21 GLN 118 HE21 GLN 118 12.655 -2.297 0.391 913 HE22 GLN 118 HE22 GLN 118 13.255 -1.141 -0.743 914 H LYS 119 H LYS 119 9.185 -4.141 4.736 915 HA LYS 119 HA LYS 119 6.910 -2.316 4.533 916 HB2 LYS 119 HB2 LYS 119 7.262 -5.188 5.192 917 HB3 LYS 119 HB3 LYS 119 5.946 -4.349 6.002 918 HG2 LYS 119 HG2 LYS 119 4.936 -3.771 3.919 919 HG3 LYS 119 HG3 LYS 119 6.334 -4.363 3.019 920 HD2 LYS 119 HD2 LYS 119 5.360 -6.358 2.899 921 HD3 LYS 119 HD3 LYS 119 5.476 -6.488 4.655 922 HE2 LYS 119 HE2 LYS 119 3.308 -4.904 4.435 923 HE3 LYS 119 HE3 LYS 119 3.164 -5.832 2.944 924 HZ1 LYS 119 HZ1 LYS 119 2.483 -6.624 5.528 925 HZ2 LYS 119 HZ2 LYS 119 3.793 -7.581 5.047 926 HZ3 LYS 119 HZ3 LYS 119 2.391 -7.533 4.104 927 H VAL 120 H VAL 120 9.085 -3.743 6.912 928 HA VAL 120 HA VAL 120 7.778 -2.412 9.124 929 HB VAL 120 HB VAL 120 8.849 -4.654 9.369 930 HG11 VAL 120 HG11 VAL 120 10.993 -3.438 8.094 931 HG12 VAL 120 HG12 VAL 120 11.534 -3.646 9.761 932 HG13 VAL 120 HG13 VAL 120 10.976 -5.039 8.833 933 HG21 VAL 120 HG21 VAL 120 9.461 -4.292 11.569 934 HG22 VAL 120 HG22 VAL 120 10.251 -2.758 11.206 935 HG23 VAL 120 HG23 VAL 120 8.490 -2.861 11.221 936 H GLY 121 H GLY 121 10.225 -1.686 6.853 937 HA2 GLY 121 HA2 GLY 121 11.833 0.052 8.411 938 HA3 GLY 121 HA3 GLY 121 11.723 0.044 6.657 939 H GLY 122 H GLY 122 9.371 0.868 5.954 940 HA2 GLY 122 HA2 GLY 122 7.940 2.729 7.376 941 HA3 GLY 122 HA3 GLY 122 9.322 3.618 6.752 942 H LEU 123 H LEU 123 7.665 0.962 5.131 943 HA LEU 123 HA LEU 123 6.714 2.885 3.110 944 HB2 LEU 123 HB2 LEU 123 8.676 1.109 2.662 945 HB3 LEU 123 HB3 LEU 123 7.279 0.104 2.280 946 HG LEU 123 HG LEU 123 6.573 1.849 0.634 947 HD11 LEU 123 HD11 LEU 123 7.528 3.852 0.911 948 HD12 LEU 123 HD12 LEU 123 8.884 3.165 0.017 949 HD13 LEU 123 HD13 LEU 123 8.909 3.182 1.780 950 HD21 LEU 123 HD21 LEU 123 9.245 1.147 -0.319 951 HD22 LEU 123 HD22 LEU 123 7.660 0.716 -0.960 952 HD23 LEU 123 HD23 LEU 123 8.354 -0.210 0.371 953 H GLU 124 H GLU 124 6.142 -0.141 4.809 954 HA GLU 124 HA GLU 124 3.815 -1.007 3.608 955 HB2 GLU 124 HB2 GLU 124 4.926 -2.325 5.304 956 HB3 GLU 124 HB3 GLU 124 4.593 -1.105 6.525 957 HG2 GLU 124 HG2 GLU 124 2.205 -2.102 5.175 958 HG3 GLU 124 HG3 GLU 124 3.097 -3.337 6.061 Start of MODEL 3 1 H1 MET 1 H1 MET 1 0.208 0.881 -2.744 2 HA MET 1 HA MET 1 0.886 -0.514 -0.417 3 HB2 MET 1 HB2 MET 1 2.187 -0.395 -3.134 4 HB3 MET 1 HB3 MET 1 2.754 -1.467 -1.861 5 HG2 MET 1 HG2 MET 1 0.125 -2.073 -1.879 6 HG3 MET 1 HG3 MET 1 0.376 -1.650 -3.572 7 HE1 MET 1 HE1 MET 1 -0.088 -4.759 -4.203 8 HE2 MET 1 HE2 MET 1 0.333 -3.217 -4.949 9 HE3 MET 1 HE3 MET 1 1.412 -4.602 -5.117 10 H SER 2 H SER 2 2.921 1.695 -2.345 11 HA SER 2 HA SER 2 5.097 1.717 -0.576 12 HB2 SER 2 HB2 SER 2 4.610 4.212 -2.080 13 HB3 SER 2 HB3 SER 2 6.034 3.172 -2.047 14 HG SER 2 HG SER 2 4.941 1.746 -3.446 15 H GLN 3 H GLN 3 5.711 4.292 0.044 16 HA GLN 3 HA GLN 3 3.532 5.193 1.802 17 HB2 GLN 3 HB2 GLN 3 5.067 3.946 3.192 18 HB3 GLN 3 HB3 GLN 3 6.439 4.835 2.544 19 HG2 GLN 3 HG2 GLN 3 5.656 5.509 4.838 20 HG3 GLN 3 HG3 GLN 3 5.822 6.809 3.659 21 HE21 GLN 3 HE21 GLN 3 4.337 8.251 4.216 22 HE22 GLN 3 HE22 GLN 3 2.657 7.924 4.450 23 H ASN 4 H ASN 4 2.984 7.168 1.175 24 HA ASN 4 HA ASN 4 4.711 8.857 -0.338 25 HB2 ASN 4 HB2 ASN 4 2.839 10.554 0.046 26 HB3 ASN 4 HB3 ASN 4 2.401 9.072 -0.799 27 HD21 ASN 4 HD21 ASN 4 1.177 7.504 0.280 28 HD22 ASN 4 HD22 ASN 4 0.254 7.891 1.689 29 H ARG 5 H ARG 5 6.536 9.039 1.077 30 HA ARG 5 HA ARG 5 6.555 11.410 2.596 31 HB2 ARG 5 HB2 ARG 5 5.351 9.934 4.208 32 HB3 ARG 5 HB3 ARG 5 6.763 8.887 4.246 33 HG2 ARG 5 HG2 ARG 5 8.015 11.075 4.914 34 HG3 ARG 5 HG3 ARG 5 6.401 11.620 5.373 35 HD2 ARG 5 HD2 ARG 5 6.469 10.421 7.242 36 HD3 ARG 5 HD3 ARG 5 6.851 8.956 6.338 37 HE ARG 5 HE ARG 5 9.212 10.328 6.470 38 HH11 ARG 5 HH11 ARG 5 6.912 9.130 8.793 39 HH12 ARG 5 HH12 ARG 5 8.098 8.876 10.030 40 HH21 ARG 5 HH21 ARG 5 10.782 9.998 8.090 41 HH22 ARG 5 HH22 ARG 5 10.299 9.371 9.630 42 H GLN 6 H GLN 6 8.229 8.324 3.182 43 HA GLN 6 HA GLN 6 10.669 9.497 2.042 44 HB2 GLN 6 HB2 GLN 6 11.972 9.037 3.888 45 HB3 GLN 6 HB3 GLN 6 10.458 9.498 4.654 46 HG2 GLN 6 HG2 GLN 6 11.453 6.697 4.184 47 HG3 GLN 6 HG3 GLN 6 11.369 7.545 5.727 48 HE21 GLN 6 HE21 GLN 6 10.030 5.105 4.334 49 HE22 GLN 6 HE22 GLN 6 8.372 5.277 4.788 50 H LEU 7 H LEU 7 12.241 7.957 1.320 51 HA LEU 7 HA LEU 7 11.056 5.329 0.715 52 HB2 LEU 7 HB2 LEU 7 12.686 7.230 -0.865 53 HB3 LEU 7 HB3 LEU 7 13.004 5.514 -1.106 54 HG LEU 7 HG LEU 7 11.342 6.732 -2.670 55 HD11 LEU 7 HD11 LEU 7 9.794 4.576 -2.384 56 HD12 LEU 7 HD12 LEU 7 11.179 4.056 -1.425 57 HD13 LEU 7 HD13 LEU 7 11.398 4.514 -3.114 58 HD21 LEU 7 HD21 LEU 7 9.341 6.018 -0.571 59 HD22 LEU 7 HD22 LEU 7 9.179 7.096 -1.957 60 HD23 LEU 7 HD23 LEU 7 10.111 7.605 -0.548 61 H LEU 8 H LEU 8 11.939 3.683 1.758 62 HA LEU 8 HA LEU 8 14.111 3.779 3.448 63 HB2 LEU 8 HB2 LEU 8 12.304 1.955 3.076 64 HB3 LEU 8 HB3 LEU 8 13.470 1.273 1.944 65 HG LEU 8 HG LEU 8 13.543 0.201 4.160 66 HD11 LEU 8 HD11 LEU 8 16.108 1.694 3.912 67 HD12 LEU 8 HD12 LEU 8 15.580 0.668 2.579 68 HD13 LEU 8 HD13 LEU 8 15.823 -0.025 4.182 69 HD21 LEU 8 HD21 LEU 8 12.975 2.412 5.341 70 HD22 LEU 8 HD22 LEU 8 14.705 2.742 5.247 71 HD23 LEU 8 HD23 LEU 8 14.125 1.323 6.119 72 H TYR 9 H TYR 9 14.175 2.071 0.317 73 HA TYR 9 HA TYR 9 16.497 3.313 -0.653 74 HB2 TYR 9 HB2 TYR 9 17.277 1.841 1.405 75 HB3 TYR 9 HB3 TYR 9 17.195 0.542 0.220 76 HD1 TYR 9 HD1 TYR 9 18.532 4.030 0.457 77 HD2 TYR 9 HD2 TYR 9 19.142 0.045 -0.903 78 HE1 TYR 9 HE1 TYR 9 20.756 4.663 -0.380 79 HE2 TYR 9 HE2 TYR 9 21.369 0.666 -1.742 80 HH TYR 9 HH TYR 9 22.777 2.356 -2.150 81 HA PRO 10 HA PRO 10 14.028 0.717 -3.592 82 HB2 PRO 10 HB2 PRO 10 13.721 2.691 -5.430 83 HB3 PRO 10 HB3 PRO 10 12.627 2.477 -4.058 84 HG2 PRO 10 HG2 PRO 10 14.913 4.382 -4.378 85 HG3 PRO 10 HG3 PRO 10 13.300 4.673 -3.700 86 HD2 PRO 10 HD2 PRO 10 15.481 4.266 -2.148 87 HD3 PRO 10 HD3 PRO 10 13.853 3.752 -1.661 88 H ARG 11 H ARG 11 15.309 -0.613 -4.704 89 HA ARG 11 HA ARG 11 16.787 0.150 -6.941 90 HB2 ARG 11 HB2 ARG 11 19.102 -0.410 -6.001 91 HB3 ARG 11 HB3 ARG 11 18.435 1.170 -5.613 92 HG2 ARG 11 HG2 ARG 11 18.556 0.763 -3.440 93 HG3 ARG 11 HG3 ARG 11 17.685 -0.762 -3.619 94 HD2 ARG 11 HD2 ARG 11 20.049 -1.520 -4.593 95 HD3 ARG 11 HD3 ARG 11 20.599 -0.228 -3.525 96 HE ARG 11 HE ARG 11 18.912 -1.730 -1.986 97 HH11 ARG 11 HH11 ARG 11 21.782 -2.363 -3.852 98 HH12 ARG 11 HH12 ARG 11 22.315 -3.660 -2.834 99 HH21 ARG 11 HH21 ARG 11 19.604 -3.435 -0.638 100 HH22 ARG 11 HH22 ARG 11 21.075 -4.269 -1.007 101 H GLU 12 H GLU 12 16.479 -2.140 -4.282 102 HA GLU 12 HA GLU 12 17.624 -4.390 -5.423 103 HB2 GLU 12 HB2 GLU 12 16.310 -3.871 -3.094 104 HB3 GLU 12 HB3 GLU 12 15.138 -4.886 -3.923 105 HG2 GLU 12 HG2 GLU 12 16.524 -6.723 -3.927 106 HG3 GLU 12 HG3 GLU 12 17.986 -5.751 -3.769 107 H GLU 13 H GLU 13 14.575 -2.857 -6.100 108 HA GLU 13 HA GLU 13 13.589 -5.102 -7.651 109 HB2 GLU 13 HB2 GLU 13 11.659 -3.615 -8.116 110 HB3 GLU 13 HB3 GLU 13 11.966 -3.827 -6.398 111 HG2 GLU 13 HG2 GLU 13 11.873 -1.619 -6.236 112 HG3 GLU 13 HG3 GLU 13 13.439 -1.588 -7.043 113 H MET 14 H MET 14 14.979 -1.914 -8.190 114 HA MET 14 HA MET 14 14.507 -1.547 -10.875 115 HB2 MET 14 HB2 MET 14 16.538 -0.648 -8.956 116 HB3 MET 14 HB3 MET 14 17.084 -0.641 -10.628 117 HG2 MET 14 HG2 MET 14 15.850 1.137 -11.140 118 HG3 MET 14 HG3 MET 14 14.435 0.507 -10.300 119 HE1 MET 14 HE1 MET 14 13.386 2.017 -8.950 120 HE2 MET 14 HE2 MET 14 14.082 3.284 -7.939 121 HE3 MET 14 HE3 MET 14 14.141 3.427 -9.696 122 H VAL 15 H VAL 15 17.128 -3.410 -9.369 123 HA VAL 15 HA VAL 15 18.423 -4.150 -11.757 124 HB VAL 15 HB VAL 15 19.550 -5.859 -10.465 125 HG11 VAL 15 HG11 VAL 15 20.271 -4.429 -8.480 126 HG12 VAL 15 HG12 VAL 15 20.466 -3.730 -10.089 127 HG13 VAL 15 HG13 VAL 15 19.115 -3.235 -9.070 128 HG21 VAL 15 HG21 VAL 15 17.152 -5.644 -8.794 129 HG22 VAL 15 HG22 VAL 15 18.240 -7.008 -9.051 130 HG23 VAL 15 HG23 VAL 15 18.663 -5.749 -7.890 131 H SER 16 H SER 16 15.647 -5.444 -10.088 132 HA SER 16 HA SER 16 15.533 -7.994 -11.223 133 HB2 SER 16 HB2 SER 16 14.035 -6.736 -9.397 134 HB3 SER 16 HB3 SER 16 12.974 -6.534 -10.791 135 HG SER 16 HG SER 16 13.969 -8.965 -9.720 136 H LEU 17 H LEU 17 14.055 -4.955 -12.333 137 HA LEU 17 HA LEU 17 12.800 -5.962 -14.613 138 HB2 LEU 17 HB2 LEU 17 13.995 -3.221 -14.230 139 HB3 LEU 17 HB3 LEU 17 12.779 -3.667 -15.425 140 HG LEU 17 HG LEU 17 11.399 -2.738 -13.894 141 HD11 LEU 17 HD11 LEU 17 10.275 -4.373 -12.626 142 HD12 LEU 17 HD12 LEU 17 11.734 -5.346 -12.439 143 HD13 LEU 17 HD13 LEU 17 10.949 -5.228 -14.014 144 HD21 LEU 17 HD21 LEU 17 12.435 -1.820 -12.150 145 HD22 LEU 17 HD22 LEU 17 13.704 -3.045 -12.167 146 HD23 LEU 17 HD23 LEU 17 12.194 -3.353 -11.310 147 H VAL 18 H VAL 18 15.835 -4.083 -14.559 148 HA VAL 18 HA VAL 18 16.617 -4.509 -17.164 149 HB VAL 18 HB VAL 18 17.750 -2.980 -15.555 150 HG11 VAL 18 HG11 VAL 18 19.052 -5.520 -14.577 151 HG12 VAL 18 HG12 VAL 18 19.520 -3.881 -14.118 152 HG13 VAL 18 HG13 VAL 18 17.933 -4.506 -13.666 153 HG21 VAL 18 HG21 VAL 18 20.005 -4.566 -16.550 154 HG22 VAL 18 HG22 VAL 18 18.762 -4.226 -17.755 155 HG23 VAL 18 HG23 VAL 18 19.547 -2.899 -16.899 156 H ARG 19 H ARG 19 16.874 -6.665 -14.422 157 HA ARG 19 HA ARG 19 18.675 -8.513 -15.621 158 HB2 ARG 19 HB2 ARG 19 16.900 -8.510 -13.224 159 HB3 ARG 19 HB3 ARG 19 17.508 -10.054 -13.806 160 HG2 ARG 19 HG2 ARG 19 19.403 -7.793 -13.363 161 HG3 ARG 19 HG3 ARG 19 18.815 -8.734 -11.991 162 HD2 ARG 19 HD2 ARG 19 19.925 -10.110 -14.404 163 HD3 ARG 19 HD3 ARG 19 21.010 -9.439 -13.188 164 HE ARG 19 HE ARG 19 19.043 -11.039 -11.949 165 HH11 ARG 19 HH11 ARG 19 21.904 -11.279 -13.918 166 HH12 ARG 19 HH12 ARG 19 22.335 -12.851 -13.330 167 HH21 ARG 19 HH21 ARG 19 19.600 -13.108 -11.167 168 HH22 ARG 19 HH22 ARG 19 21.023 -13.891 -11.766 169 H SER 20 H SER 20 15.169 -8.223 -15.495 170 HA SER 20 HA SER 20 14.506 -10.746 -16.520 171 HB2 SER 20 HB2 SER 20 12.594 -9.757 -15.781 172 HB3 SER 20 HB3 SER 20 13.141 -8.138 -16.218 173 HG SER 20 HG SER 20 12.272 -8.349 -18.146 174 H LEU 21 H LEU 21 15.458 -7.763 -18.103 175 HA LEU 21 HA LEU 21 15.080 -8.993 -20.734 176 HB2 LEU 21 HB2 LEU 21 15.358 -6.801 -21.655 177 HB3 LEU 21 HB3 LEU 21 14.192 -6.724 -20.336 178 HG LEU 21 HG LEU 21 16.758 -6.127 -19.272 179 HD11 LEU 21 HD11 LEU 21 16.702 -3.876 -20.808 180 HD12 LEU 21 HD12 LEU 21 16.331 -5.132 -21.989 181 HD13 LEU 21 HD13 LEU 21 17.809 -5.231 -21.032 182 HD21 LEU 21 HD21 LEU 21 14.128 -4.788 -19.628 183 HD22 LEU 21 HD22 LEU 21 15.511 -3.803 -19.151 184 HD23 LEU 21 HD23 LEU 21 15.015 -5.168 -18.151 185 H ASP 22 H ASP 22 16.820 -8.624 -22.359 186 HA ASP 22 HA ASP 22 19.447 -7.975 -21.742 187 HB2 ASP 22 HB2 ASP 22 18.759 -10.368 -20.499 188 HB3 ASP 22 HB3 ASP 22 19.631 -10.871 -21.945 189 H ARG 23 H ARG 23 19.421 -7.141 -23.800 190 HA ARG 23 HA ARG 23 20.046 -8.976 -25.917 191 HB2 ARG 23 HB2 ARG 23 17.423 -8.673 -25.705 192 HB3 ARG 23 HB3 ARG 23 17.755 -7.182 -26.576 193 HG2 ARG 23 HG2 ARG 23 17.158 -8.905 -28.137 194 HG3 ARG 23 HG3 ARG 23 18.864 -8.500 -28.343 195 HD2 ARG 23 HD2 ARG 23 18.302 -10.961 -28.370 196 HD3 ARG 23 HD3 ARG 23 19.562 -10.470 -27.239 197 HE ARG 23 HE ARG 23 18.193 -11.065 -25.492 198 HH11 ARG 23 HH11 ARG 23 16.360 -11.008 -28.451 199 HH12 ARG 23 HH12 ARG 23 14.962 -11.755 -27.752 200 HH21 ARG 23 HH21 ARG 23 16.359 -12.050 -24.560 201 HH22 ARG 23 HH22 ARG 23 14.962 -12.347 -25.538 202 HA PRO 24 HA PRO 24 21.938 -4.702 -26.045 203 HB2 PRO 24 HB2 PRO 24 24.514 -5.557 -25.998 204 HB3 PRO 24 HB3 PRO 24 23.579 -5.244 -24.531 205 HG2 PRO 24 HG2 PRO 24 24.155 -7.848 -25.889 206 HG3 PRO 24 HG3 PRO 24 24.185 -7.458 -24.160 207 HD2 PRO 24 HD2 PRO 24 22.103 -8.734 -25.330 208 HD3 PRO 24 HD3 PRO 24 21.896 -7.633 -23.953 209 H GLN 25 H GLN 25 20.919 -5.011 -28.231 210 HA GLN 25 HA GLN 25 22.466 -6.264 -30.294 211 HB2 GLN 25 HB2 GLN 25 20.187 -4.303 -30.589 212 HB3 GLN 25 HB3 GLN 25 20.795 -5.402 -31.819 213 HG2 GLN 25 HG2 GLN 25 20.185 -7.130 -29.817 214 HG3 GLN 25 HG3 GLN 25 18.954 -5.887 -29.597 215 HE21 GLN 25 HE21 GLN 25 20.467 -7.832 -32.144 216 HE22 GLN 25 HE22 GLN 25 19.019 -8.084 -33.051 217 H GLU 26 H GLU 26 21.715 -2.885 -29.459 218 HA GLU 26 HA GLU 26 23.525 -1.843 -31.427 219 HB2 GLU 26 HB2 GLU 26 21.528 -0.796 -29.612 220 HB3 GLU 26 HB3 GLU 26 22.988 0.182 -29.571 221 HG2 GLU 26 HG2 GLU 26 22.006 -0.562 -32.246 222 HG3 GLU 26 HG3 GLU 26 20.993 0.547 -31.324 223 H ASN 27 H ASN 27 23.532 -2.062 -27.879 224 HA ASN 27 HA ASN 27 25.202 -1.888 -26.341 225 HB2 ASN 27 HB2 ASN 27 25.940 -3.915 -27.619 226 HB3 ASN 27 HB3 ASN 27 26.974 -2.868 -28.587 227 HD21 ASN 27 HD21 ASN 27 26.281 -3.735 -25.227 228 HD22 ASN 27 HD22 ASN 27 27.914 -3.611 -24.676 229 H GLY 28 H GLY 28 24.688 0.532 -27.009 230 HA2 GLY 28 HA2 GLY 28 27.224 1.879 -26.944 231 HA3 GLY 28 HA3 GLY 28 26.361 2.141 -28.452 232 H LEU 29 H LEU 29 23.727 2.136 -27.333 233 HA LEU 29 HA LEU 29 23.470 3.988 -25.219 234 HB2 LEU 29 HB2 LEU 29 24.325 5.666 -26.607 235 HB3 LEU 29 HB3 LEU 29 23.456 5.064 -28.017 236 HG LEU 29 HG LEU 29 21.743 5.999 -25.819 237 HD11 LEU 29 HD11 LEU 29 22.097 8.383 -26.428 238 HD12 LEU 29 HD12 LEU 29 23.545 7.898 -27.310 239 HD13 LEU 29 HD13 LEU 29 23.454 7.656 -25.566 240 HD21 LEU 29 HD21 LEU 29 20.394 6.763 -27.568 241 HD22 LEU 29 HD22 LEU 29 21.116 5.281 -28.197 242 HD23 LEU 29 HD23 LEU 29 21.748 6.851 -28.697 243 H PHE 30 H PHE 30 22.113 2.633 -28.167 244 HA PHE 30 HA PHE 30 19.399 3.144 -27.596 245 HB2 PHE 30 HB2 PHE 30 20.917 1.492 -29.501 246 HB3 PHE 30 HB3 PHE 30 19.322 0.862 -29.101 247 HD1 PHE 30 HD1 PHE 30 20.981 4.048 -30.096 248 HD2 PHE 30 HD2 PHE 30 17.510 1.593 -30.311 249 HE1 PHE 30 HE1 PHE 30 19.964 5.630 -31.681 250 HE2 PHE 30 HE2 PHE 30 16.488 3.171 -31.897 251 HZ PHE 30 HZ PHE 30 17.714 5.194 -32.583 252 H SER 31 H SER 31 21.617 1.021 -26.172 253 HA SER 31 HA SER 31 19.507 -0.172 -24.568 254 HB2 SER 31 HB2 SER 31 20.255 -1.626 -26.694 255 HB3 SER 31 HB3 SER 31 21.519 -2.121 -25.568 256 HG SER 31 HG SER 31 20.084 -3.151 -24.394 257 H GLN 32 H GLN 32 21.818 1.694 -24.270 258 HA GLN 32 HA GLN 32 22.839 0.558 -21.821 259 HB2 GLN 32 HB2 GLN 32 24.368 0.317 -24.192 260 HB3 GLN 32 HB3 GLN 32 25.139 1.556 -23.210 261 HG2 GLN 32 HG2 GLN 32 26.165 -0.453 -22.595 262 HG3 GLN 32 HG3 GLN 32 25.031 -0.094 -21.294 263 HE21 GLN 32 HE21 GLN 32 24.675 -1.582 -24.494 264 HE22 GLN 32 HE22 GLN 32 23.934 -3.035 -23.925 265 H ASP 33 H ASP 33 24.626 2.224 -20.960 266 HA ASP 33 HA ASP 33 23.339 4.857 -21.150 267 HB2 ASP 33 HB2 ASP 33 25.034 3.581 -19.003 268 HB3 ASP 33 HB3 ASP 33 24.618 5.293 -18.995 269 H VAL 34 H VAL 34 24.313 6.282 -22.418 270 HA VAL 34 HA VAL 34 26.817 6.022 -23.579 271 HB VAL 34 HB VAL 34 25.185 7.551 -24.491 272 HG11 VAL 34 HG11 VAL 34 25.542 9.037 -21.898 273 HG12 VAL 34 HG12 VAL 34 24.807 9.761 -23.330 274 HG13 VAL 34 HG13 VAL 34 24.060 8.356 -22.568 275 HG21 VAL 34 HG21 VAL 34 27.160 9.580 -23.778 276 HG22 VAL 34 HG22 VAL 34 27.873 8.050 -24.286 277 HG23 VAL 34 HG23 VAL 34 26.753 8.899 -25.352 278 H LEU 35 H LEU 35 25.932 7.277 -20.461 279 HA LEU 35 HA LEU 35 28.237 8.784 -19.898 280 HB2 LEU 35 HB2 LEU 35 25.914 8.354 -18.621 281 HB3 LEU 35 HB3 LEU 35 26.968 7.301 -17.679 282 HG LEU 35 HG LEU 35 26.692 9.530 -16.671 283 HD11 LEU 35 HD11 LEU 35 28.913 9.776 -16.039 284 HD12 LEU 35 HD12 LEU 35 29.521 9.308 -17.626 285 HD13 LEU 35 HD13 LEU 35 28.825 8.092 -16.556 286 HD21 LEU 35 HD21 LEU 35 27.397 11.506 -17.693 287 HD22 LEU 35 HD22 LEU 35 26.532 10.653 -18.972 288 HD23 LEU 35 HD23 LEU 35 28.296 10.649 -18.946 289 H LEU 36 H LEU 36 27.710 5.393 -20.067 290 HA LEU 36 HA LEU 36 30.167 4.811 -18.586 291 HB2 LEU 36 HB2 LEU 36 27.927 3.096 -19.619 292 HB3 LEU 36 HB3 LEU 36 29.437 2.408 -19.025 293 HG LEU 36 HG LEU 36 28.961 3.616 -16.842 294 HD11 LEU 36 HD11 LEU 36 26.171 3.657 -16.973 295 HD12 LEU 36 HD12 LEU 36 26.724 4.520 -18.407 296 HD13 LEU 36 HD13 LEU 36 27.258 5.036 -16.807 297 HD21 LEU 36 HD21 LEU 36 28.474 1.130 -17.560 298 HD22 LEU 36 HD22 LEU 36 26.797 1.642 -17.372 299 HD23 LEU 36 HD23 LEU 36 27.912 1.759 -16.010 300 H GLN 37 H GLN 37 30.212 6.125 -21.190 301 HA GLN 37 HA GLN 37 31.437 4.042 -22.863 302 HB2 GLN 37 HB2 GLN 37 30.552 6.834 -23.613 303 HB3 GLN 37 HB3 GLN 37 31.218 5.638 -24.717 304 HG2 GLN 37 HG2 GLN 37 28.676 5.262 -23.155 305 HG3 GLN 37 HG3 GLN 37 28.748 5.864 -24.810 306 HE21 GLN 37 HE21 GLN 37 27.379 3.541 -23.972 307 HE22 GLN 37 HE22 GLN 37 28.117 2.182 -24.743 308 H TYR 38 H TYR 38 32.006 7.541 -22.581 309 HA TYR 38 HA TYR 38 34.663 7.188 -21.559 310 HB2 TYR 38 HB2 TYR 38 34.200 7.662 -24.465 311 HB3 TYR 38 HB3 TYR 38 35.534 8.513 -23.695 312 HD1 TYR 38 HD1 TYR 38 36.681 6.639 -21.864 313 HD2 TYR 38 HD2 TYR 38 35.028 5.909 -25.715 314 HE1 TYR 38 HE1 TYR 38 38.091 4.635 -22.082 315 HE2 TYR 38 HE2 TYR 38 36.432 3.902 -25.944 316 HH TYR 38 HH TYR 38 38.817 3.186 -24.807 317 HA PRO 39 HA PRO 39 34.022 11.305 -20.181 318 HB2 PRO 39 HB2 PRO 39 36.562 12.261 -20.102 319 HB3 PRO 39 HB3 PRO 39 35.946 11.073 -18.946 320 HG2 PRO 39 HG2 PRO 39 37.620 10.645 -21.391 321 HG3 PRO 39 HG3 PRO 39 37.777 9.911 -19.785 322 HD2 PRO 39 HD2 PRO 39 36.622 8.624 -21.869 323 HD3 PRO 39 HD3 PRO 39 36.111 8.370 -20.188 324 H GLU 40 H GLU 40 32.944 11.764 -22.317 325 HA GLU 40 HA GLU 40 33.981 14.165 -23.410 326 HB2 GLU 40 HB2 GLU 40 34.075 13.243 -25.805 327 HB3 GLU 40 HB3 GLU 40 35.444 12.922 -24.750 328 HG2 GLU 40 HG2 GLU 40 33.640 10.792 -24.401 329 HG3 GLU 40 HG3 GLU 40 33.762 11.082 -26.136 330 H LEU 41 H LEU 41 31.772 11.446 -23.751 331 HA LEU 41 HA LEU 41 29.772 13.215 -24.966 332 HB2 LEU 41 HB2 LEU 41 28.520 11.045 -25.312 333 HB3 LEU 41 HB3 LEU 41 30.003 11.261 -26.238 334 HG LEU 41 HG LEU 41 29.507 8.962 -25.178 335 HD11 LEU 41 HD11 LEU 41 31.619 8.625 -25.752 336 HD12 LEU 41 HD12 LEU 41 32.175 9.448 -24.295 337 HD13 LEU 41 HD13 LEU 41 31.879 10.370 -25.769 338 HD21 LEU 41 HD21 LEU 41 30.246 8.672 -22.903 339 HD22 LEU 41 HD22 LEU 41 28.957 9.875 -22.945 340 HD23 LEU 41 HD23 LEU 41 30.636 10.388 -22.772 341 H ALA 42 H ALA 42 30.700 12.592 -21.990 342 HA ALA 42 HA ALA 42 28.382 11.676 -20.655 343 HB1 ALA 42 HB1 ALA 42 30.941 12.921 -19.877 344 HB2 ALA 42 HB2 ALA 42 29.605 13.107 -18.740 345 HB3 ALA 42 HB3 ALA 42 30.126 11.496 -19.232 346 H GLU 43 H GLU 43 29.387 14.807 -21.814 347 HA GLU 43 HA GLU 43 27.512 16.322 -20.281 348 HB2 GLU 43 HB2 GLU 43 29.705 17.058 -21.547 349 HB3 GLU 43 HB3 GLU 43 28.594 17.306 -22.887 350 HG2 GLU 43 HG2 GLU 43 27.380 18.944 -21.713 351 HG3 GLU 43 HG3 GLU 43 28.138 18.516 -20.180 352 H SER 44 H SER 44 27.621 15.300 -23.691 353 HA SER 44 HA SER 44 25.176 16.361 -24.488 354 HB2 SER 44 HB2 SER 44 25.500 15.227 -26.450 355 HB3 SER 44 HB3 SER 44 27.125 15.059 -25.786 356 HG SER 44 HG SER 44 26.550 13.005 -25.032 357 H TYR 45 H TYR 45 25.901 13.500 -22.649 358 HA TYR 45 HA TYR 45 23.630 11.973 -22.980 359 HB2 TYR 45 HB2 TYR 45 25.436 11.123 -21.663 360 HB3 TYR 45 HB3 TYR 45 25.307 12.451 -20.515 361 HD1 TYR 45 HD1 TYR 45 22.719 10.176 -21.956 362 HD2 TYR 45 HD2 TYR 45 24.724 11.549 -18.464 363 HE1 TYR 45 HE1 TYR 45 21.213 8.818 -20.564 364 HE2 TYR 45 HE2 TYR 45 23.225 10.194 -17.062 365 HH TYR 45 HH TYR 45 21.588 8.690 -17.036 366 H THR 46 H THR 46 24.088 14.849 -21.002 367 HA THR 46 HA THR 46 21.614 14.721 -19.632 368 HB THR 46 HB THR 46 21.989 17.056 -19.043 369 HG1 THR 46 HG1 THR 46 22.967 18.249 -20.484 370 HG21 THR 46 HG21 THR 46 24.648 15.635 -19.026 371 HG22 THR 46 HG22 THR 46 23.315 15.212 -17.951 372 HG23 THR 46 HG23 THR 46 24.046 16.815 -17.862 373 H LYS 47 H LYS 47 22.581 16.025 -22.735 374 HA LYS 47 HA LYS 47 20.240 17.561 -23.208 375 HB2 LYS 47 HB2 LYS 47 22.183 18.080 -24.485 376 HB3 LYS 47 HB3 LYS 47 22.347 16.419 -25.039 377 HG2 LYS 47 HG2 LYS 47 19.842 17.836 -25.733 378 HG3 LYS 47 HG3 LYS 47 21.321 18.342 -26.554 379 HD2 LYS 47 HD2 LYS 47 21.528 16.378 -27.683 380 HD3 LYS 47 HD3 LYS 47 20.808 15.429 -26.380 381 HE2 LYS 47 HE2 LYS 47 18.800 15.508 -27.338 382 HE3 LYS 47 HE3 LYS 47 18.886 17.261 -27.510 383 HZ1 LYS 47 HZ1 LYS 47 20.269 15.418 -29.369 384 HZ2 LYS 47 HZ2 LYS 47 19.940 17.064 -29.582 385 HZ3 LYS 47 HZ3 LYS 47 18.679 15.937 -29.626 386 H VAL 48 H VAL 48 20.972 14.198 -23.446 387 HA VAL 48 HA VAL 48 18.528 13.695 -24.995 388 HB VAL 48 HB VAL 48 20.525 11.587 -24.229 389 HG11 VAL 48 HG11 VAL 48 19.613 10.973 -26.696 390 HG12 VAL 48 HG12 VAL 48 18.859 10.420 -25.200 391 HG13 VAL 48 HG13 VAL 48 18.219 11.832 -26.042 392 HG21 VAL 48 HG21 VAL 48 20.676 13.441 -26.604 393 HG22 VAL 48 HG22 VAL 48 21.830 13.332 -25.275 394 HG23 VAL 48 HG23 VAL 48 21.646 11.983 -26.396 395 H CYS 49 H CYS 49 18.784 14.404 -22.059 396 HA CYS 49 HA CYS 49 17.723 13.879 -20.118 397 HB2 CYS 49 HB2 CYS 49 16.157 12.546 -22.204 398 HB3 CYS 49 HB3 CYS 49 16.003 11.786 -20.625 399 HG CYS 49 HG CYS 49 15.727 14.980 -20.130 400 HA PRO 50 HA PRO 50 19.823 10.521 -18.238 401 HB2 PRO 50 HB2 PRO 50 18.137 9.811 -16.233 402 HB3 PRO 50 HB3 PRO 50 19.078 11.307 -16.212 403 HG2 PRO 50 HG2 PRO 50 16.209 10.885 -16.955 404 HG3 PRO 50 HG3 PRO 50 16.934 12.174 -15.977 405 HD2 PRO 50 HD2 PRO 50 16.262 12.521 -18.577 406 HD3 PRO 50 HD3 PRO 50 17.639 13.354 -17.827 407 H ASN 51 H ASN 51 19.343 9.280 -20.315 408 HA ASN 51 HA ASN 51 18.868 7.283 -21.296 409 HB2 ASN 51 HB2 ASN 51 17.928 6.374 -18.570 410 HB3 ASN 51 HB3 ASN 51 18.452 5.357 -19.909 411 HD21 ASN 51 HD21 ASN 51 20.720 6.584 -20.739 412 HD22 ASN 51 HD22 ASN 51 21.911 6.544 -19.487 413 H ARG 52 H ARG 52 17.156 6.328 -22.360 414 HA ARG 52 HA ARG 52 14.446 6.788 -21.402 415 HB2 ARG 52 HB2 ARG 52 15.263 7.702 -24.161 416 HB3 ARG 52 HB3 ARG 52 13.695 7.900 -23.391 417 HG2 ARG 52 HG2 ARG 52 14.614 9.459 -21.806 418 HG3 ARG 52 HG3 ARG 52 16.242 9.184 -22.430 419 HD2 ARG 52 HD2 ARG 52 15.946 10.690 -24.039 420 HD3 ARG 52 HD3 ARG 52 14.455 9.909 -24.564 421 HE ARG 52 HE ARG 52 14.177 11.542 -22.205 422 HH11 ARG 52 HH11 ARG 52 14.089 11.458 -25.684 423 HH12 ARG 52 HH12 ARG 52 13.082 12.860 -25.822 424 HH21 ARG 52 HH21 ARG 52 12.850 13.390 -22.374 425 HH22 ARG 52 HH22 ARG 52 12.378 13.959 -23.939 426 H CYS 53 H CYS 53 16.393 4.554 -22.104 427 HA CYS 53 HA CYS 53 14.937 3.196 -24.238 428 HB2 CYS 53 HB2 CYS 53 17.434 2.425 -22.714 429 HB3 CYS 53 HB3 CYS 53 16.715 1.462 -24.000 430 HG CYS 53 HG CYS 53 17.589 4.678 -24.654 431 H ASP 54 H ASP 54 16.305 1.882 -21.238 432 HA ASP 54 HA ASP 54 13.925 1.283 -19.926 433 HB2 ASP 54 HB2 ASP 54 14.451 -0.449 -22.166 434 HB3 ASP 54 HB3 ASP 54 14.511 -1.372 -20.667 435 H LEU 55 H LEU 55 16.593 -0.951 -20.649 436 HA LEU 55 HA LEU 55 17.102 -1.506 -17.927 437 HB2 LEU 55 HB2 LEU 55 19.328 -2.390 -18.952 438 HB3 LEU 55 HB3 LEU 55 17.802 -3.203 -19.293 439 HG LEU 55 HG LEU 55 17.705 -2.220 -21.485 440 HD11 LEU 55 HD11 LEU 55 19.789 -0.891 -22.224 441 HD12 LEU 55 HD12 LEU 55 20.019 -0.599 -20.500 442 HD13 LEU 55 HD13 LEU 55 18.538 -0.065 -21.294 443 HD21 LEU 55 HD21 LEU 55 20.434 -2.924 -21.854 444 HD22 LEU 55 HD22 LEU 55 18.991 -3.881 -22.193 445 HD23 LEU 55 HD23 LEU 55 19.754 -3.970 -20.605 446 H ALA 56 H ALA 56 17.955 1.127 -19.875 447 HA ALA 56 HA ALA 56 20.342 1.797 -18.343 448 HB1 ALA 56 HB1 ALA 56 20.495 3.733 -19.871 449 HB2 ALA 56 HB2 ALA 56 20.439 2.189 -20.722 450 HB3 ALA 56 HB3 ALA 56 19.001 3.207 -20.646 451 H THR 57 H THR 57 16.982 2.690 -18.608 452 HA THR 57 HA THR 57 17.241 5.096 -17.048 453 HB THR 57 HB THR 57 14.786 3.540 -17.883 454 HG1 THR 57 HG1 THR 57 15.893 4.532 -19.616 455 HG21 THR 57 HG21 THR 57 13.740 5.880 -17.371 456 HG22 THR 57 HG22 THR 57 15.134 6.058 -16.307 457 HG23 THR 57 HG23 THR 57 14.001 4.730 -16.061 458 H ALA 58 H ALA 58 16.453 1.736 -16.458 459 HA ALA 58 HA ALA 58 15.597 2.226 -13.738 460 HB1 ALA 58 HB1 ALA 58 14.438 0.447 -14.635 461 HB2 ALA 58 HB2 ALA 58 15.855 -0.196 -15.465 462 HB3 ALA 58 HB3 ALA 58 15.700 -0.375 -13.717 463 H ALA 59 H ALA 59 18.395 0.796 -15.378 464 HA ALA 59 HA ALA 59 19.778 0.034 -13.033 465 HB1 ALA 59 HB1 ALA 59 20.983 0.712 -15.711 466 HB2 ALA 59 HB2 ALA 59 21.683 -0.303 -14.449 467 HB3 ALA 59 HB3 ALA 59 20.243 -0.839 -15.315 468 H ASP 60 H ASP 60 19.717 2.999 -14.929 469 HA ASP 60 HA ASP 60 21.894 4.240 -13.559 470 HB2 ASP 60 HB2 ASP 60 21.179 4.892 -15.844 471 HB3 ASP 60 HB3 ASP 60 19.680 5.527 -15.171 472 H ARG 61 H ARG 61 18.367 4.412 -13.284 473 HA ARG 61 HA ARG 61 18.132 6.449 -11.430 474 HB2 ARG 61 HB2 ARG 61 16.472 4.324 -12.437 475 HB3 ARG 61 HB3 ARG 61 16.224 4.505 -10.705 476 HG2 ARG 61 HG2 ARG 61 14.655 5.845 -12.033 477 HG3 ARG 61 HG3 ARG 61 15.672 6.837 -10.986 478 HD2 ARG 61 HD2 ARG 61 16.722 6.357 -13.695 479 HD3 ARG 61 HD3 ARG 61 15.253 7.329 -13.612 480 HE ARG 61 HE ARG 61 17.890 8.082 -12.728 481 HH11 ARG 61 HH11 ARG 61 14.473 8.683 -12.447 482 HH12 ARG 61 HH12 ARG 61 14.672 10.311 -11.890 483 HH21 ARG 61 HH21 ARG 61 18.166 10.225 -11.996 484 HH22 ARG 61 HH22 ARG 61 16.773 11.187 -11.635 485 H ALA 62 H ALA 62 18.830 3.026 -10.899 486 HA ALA 62 HA ALA 62 18.910 3.353 -8.024 487 HB1 ALA 62 HB1 ALA 62 20.054 0.884 -9.024 488 HB2 ALA 62 HB2 ALA 62 18.670 1.140 -7.960 489 HB3 ALA 62 HB3 ALA 62 18.462 1.207 -9.710 490 H ALA 63 H ALA 63 21.237 2.641 -10.618 491 HA ALA 63 HA ALA 63 23.541 2.406 -9.110 492 HB1 ALA 63 HB1 ALA 63 24.679 3.355 -11.215 493 HB2 ALA 63 HB2 ALA 63 23.755 1.859 -11.361 494 HB3 ALA 63 HB3 ALA 63 23.053 3.384 -11.899 495 H LYS 64 H LYS 64 21.711 5.247 -9.896 496 HA LYS 64 HA LYS 64 23.641 7.232 -9.531 497 HB2 LYS 64 HB2 LYS 64 20.662 7.159 -9.176 498 HB3 LYS 64 HB3 LYS 64 21.570 8.601 -8.741 499 HG2 LYS 64 HG2 LYS 64 22.336 7.671 -11.354 500 HG3 LYS 64 HG3 LYS 64 20.589 7.907 -11.256 501 HD2 LYS 64 HD2 LYS 64 21.684 9.953 -11.982 502 HD3 LYS 64 HD3 LYS 64 20.958 10.176 -10.388 503 HE2 LYS 64 HE2 LYS 64 22.938 10.587 -9.436 504 HE3 LYS 64 HE3 LYS 64 23.705 9.227 -10.253 505 HZ1 LYS 64 HZ1 LYS 64 24.812 11.035 -11.120 506 HZ2 LYS 64 HZ2 LYS 64 23.433 12.015 -11.159 507 HZ3 LYS 64 HZ3 LYS 64 23.622 10.775 -12.294 508 H GLY 65 H GLY 65 22.183 5.112 -7.265 509 HA2 GLY 65 HA2 GLY 65 23.368 4.915 -5.123 510 HA3 GLY 65 HA3 GLY 65 23.395 6.671 -5.066 511 H ALA 66 H ALA 66 20.494 5.376 -6.273 512 HA ALA 66 HA ALA 66 18.355 5.496 -5.482 513 HB1 ALA 66 HB1 ALA 66 19.631 4.275 -3.037 514 HB2 ALA 66 HB2 ALA 66 17.924 4.203 -3.477 515 HB3 ALA 66 HB3 ALA 66 19.128 3.390 -4.477 516 H TYR 67 H TYR 67 18.853 7.921 -5.455 517 HA TYR 67 HA TYR 67 19.451 9.397 -3.219 518 HB2 TYR 67 HB2 TYR 67 18.360 9.910 -5.770 519 HB3 TYR 67 HB3 TYR 67 17.275 10.668 -4.610 520 HD1 TYR 67 HD1 TYR 67 18.733 11.869 -2.601 521 HD2 TYR 67 HD2 TYR 67 19.946 11.324 -6.643 522 HE1 TYR 67 HE1 TYR 67 20.283 13.766 -2.385 523 HE2 TYR 67 HE2 TYR 67 21.500 13.220 -6.438 524 HH TYR 67 HH TYR 67 21.710 15.108 -3.439 525 H GLY 68 H GLY 68 16.459 7.754 -4.005 526 HA2 GLY 68 HA2 GLY 68 14.671 7.204 -2.663 527 HA3 GLY 68 HA3 GLY 68 15.591 7.808 -1.293 528 H TYR 69 H TYR 69 13.736 8.770 -0.399 529 HA TYR 69 HA TYR 69 12.225 10.428 -0.015 530 HB2 TYR 69 HB2 TYR 69 14.526 11.660 -0.431 531 HB3 TYR 69 HB3 TYR 69 13.697 12.258 -1.864 532 HD1 TYR 69 HD1 TYR 69 12.617 11.686 1.673 533 HD2 TYR 69 HD2 TYR 69 13.024 14.439 -1.546 534 HE1 TYR 69 HE1 TYR 69 11.534 13.426 3.032 535 HE2 TYR 69 HE2 TYR 69 11.944 16.187 -0.195 536 HH TYR 69 HH TYR 69 10.653 15.486 3.025 537 H ASP 70 H ASP 70 10.535 9.372 -1.136 538 HA ASP 70 HA ASP 70 9.669 10.828 -3.515 539 HB2 ASP 70 HB2 ASP 70 10.790 8.309 -3.758 540 HB3 ASP 70 HB3 ASP 70 9.060 7.979 -3.727 541 H VAL 71 H VAL 71 7.554 11.301 -3.478 542 HA VAL 71 HA VAL 71 6.002 10.481 -1.182 543 HB VAL 71 HB VAL 71 5.967 12.821 -2.065 544 HG11 VAL 71 HG11 VAL 71 5.362 13.335 -4.154 545 HG12 VAL 71 HG12 VAL 71 5.588 11.621 -4.506 546 HG13 VAL 71 HG13 VAL 71 3.982 12.238 -4.118 547 HG21 VAL 71 HG21 VAL 71 3.265 11.483 -2.068 548 HG22 VAL 71 HG22 VAL 71 4.186 11.871 -0.614 549 HG23 VAL 71 HG23 VAL 71 3.621 13.165 -1.672 550 H GLN 72 H GLN 72 6.487 9.317 -4.303 551 HA GLN 72 HA GLN 72 4.655 7.210 -4.033 552 HB2 GLN 72 HB2 GLN 72 3.326 9.487 -4.741 553 HB3 GLN 72 HB3 GLN 72 3.682 8.791 -6.316 554 HG2 GLN 72 HG2 GLN 72 2.356 7.264 -4.094 555 HG3 GLN 72 HG3 GLN 72 1.471 8.160 -5.328 556 HE21 GLN 72 HE21 GLN 72 3.943 5.656 -4.948 557 HE22 GLN 72 HE22 GLN 72 3.466 4.729 -6.325 558 H LEU 73 H LEU 73 7.365 7.553 -4.738 559 HA LEU 73 HA LEU 73 8.937 6.932 -6.266 560 HB2 LEU 73 HB2 LEU 73 6.669 5.183 -7.207 561 HB3 LEU 73 HB3 LEU 73 8.369 4.963 -7.618 562 HG LEU 73 HG LEU 73 7.982 3.376 -5.962 563 HD11 LEU 73 HD11 LEU 73 8.879 5.622 -4.204 564 HD12 LEU 73 HD12 LEU 73 9.885 5.083 -5.547 565 HD13 LEU 73 HD13 LEU 73 9.445 3.953 -4.267 566 HD21 LEU 73 HD21 LEU 73 5.756 4.649 -5.343 567 HD22 LEU 73 HD22 LEU 73 6.750 5.262 -4.021 568 HD23 LEU 73 HD23 LEU 73 6.516 3.525 -4.216 569 H THR 74 H THR 74 7.665 9.288 -6.966 570 HA THR 74 HA THR 74 6.608 9.388 -9.556 571 HB THR 74 HB THR 74 6.602 11.259 -7.852 572 HG1 THR 74 HG1 THR 74 6.711 12.850 -9.523 573 HG21 THR 74 HG21 THR 74 8.446 12.512 -7.398 574 HG22 THR 74 HG22 THR 74 9.147 12.258 -8.995 575 HG23 THR 74 HG23 THR 74 9.264 10.994 -7.770 576 H THR 75 H THR 75 9.850 8.983 -8.444 577 HA THR 75 HA THR 75 11.236 9.920 -10.720 578 HB THR 75 HB THR 75 13.115 8.487 -9.907 579 HG1 THR 75 HG1 THR 75 12.638 6.894 -8.611 580 HG21 THR 75 HG21 THR 75 12.357 9.706 -7.391 581 HG22 THR 75 HG22 THR 75 12.017 10.769 -8.755 582 HG23 THR 75 HG23 THR 75 13.648 10.145 -8.509 583 H LEU 76 H LEU 76 10.220 6.642 -9.769 584 HA LEU 76 HA LEU 76 11.095 5.498 -12.255 585 HB2 LEU 76 HB2 LEU 76 10.907 4.382 -9.932 586 HB3 LEU 76 HB3 LEU 76 9.204 4.181 -10.340 587 HG LEU 76 HG LEU 76 10.255 3.075 -12.518 588 HD11 LEU 76 HD11 LEU 76 12.395 2.488 -12.415 589 HD12 LEU 76 HD12 LEU 76 12.210 1.839 -10.786 590 HD13 LEU 76 HD13 LEU 76 12.541 3.556 -11.018 591 HD21 LEU 76 HD21 LEU 76 9.729 0.996 -11.595 592 HD22 LEU 76 HD22 LEU 76 8.739 2.131 -10.679 593 HD23 LEU 76 HD23 LEU 76 10.221 1.486 -9.974 594 H LYS 77 H LYS 77 8.137 6.804 -10.975 595 HA LYS 77 HA LYS 77 6.409 5.659 -12.945 596 HB2 LYS 77 HB2 LYS 77 6.024 6.938 -10.548 597 HB3 LYS 77 HB3 LYS 77 5.532 8.171 -11.701 598 HG2 LYS 77 HG2 LYS 77 3.599 6.933 -11.085 599 HG3 LYS 77 HG3 LYS 77 4.013 6.490 -12.743 600 HD2 LYS 77 HD2 LYS 77 3.442 4.494 -11.529 601 HD3 LYS 77 HD3 LYS 77 5.176 4.480 -11.854 602 HE2 LYS 77 HE2 LYS 77 4.497 5.766 -9.330 603 HE3 LYS 77 HE3 LYS 77 3.979 4.082 -9.405 604 HZ1 LYS 77 HZ1 LYS 77 6.076 3.681 -8.773 605 HZ2 LYS 77 HZ2 LYS 77 6.647 5.190 -9.282 606 HZ3 LYS 77 HZ3 LYS 77 6.462 3.934 -10.400 607 H GLU 78 H GLU 78 8.149 8.705 -12.603 608 HA GLU 78 HA GLU 78 6.978 9.883 -14.943 609 HB2 GLU 78 HB2 GLU 78 7.888 11.176 -12.984 610 HB3 GLU 78 HB3 GLU 78 9.502 10.725 -13.515 611 HG2 GLU 78 HG2 GLU 78 9.003 11.825 -15.700 612 HG3 GLU 78 HG3 GLU 78 7.501 12.415 -14.991 613 H ASP 79 H ASP 79 9.710 7.869 -14.257 614 HA ASP 79 HA ASP 79 11.112 8.425 -16.700 615 HB2 ASP 79 HB2 ASP 79 11.463 6.619 -14.380 616 HB3 ASP 79 HB3 ASP 79 12.154 6.062 -15.902 617 H ILE 80 H ILE 80 9.134 5.722 -15.507 618 HA ILE 80 HA ILE 80 9.278 4.133 -17.806 619 HB ILE 80 HB ILE 80 8.433 3.236 -15.718 620 HG12 ILE 80 HG12 ILE 80 6.435 2.063 -16.571 621 HG13 ILE 80 HG13 ILE 80 6.314 3.233 -17.880 622 HG21 ILE 80 HG21 ILE 80 5.912 4.826 -16.090 623 HG22 ILE 80 HG22 ILE 80 6.433 3.904 -14.681 624 HG23 ILE 80 HG23 ILE 80 7.254 5.406 -15.104 625 HD11 ILE 80 HD11 ILE 80 8.641 1.380 -17.433 626 HD12 ILE 80 HD12 ILE 80 7.327 1.110 -18.579 627 HD13 ILE 80 HD13 ILE 80 8.416 2.482 -18.791 628 H ARG 81 H ARG 81 7.062 6.736 -16.922 629 HA ARG 81 HA ARG 81 5.354 6.402 -19.181 630 HB2 ARG 81 HB2 ARG 81 4.304 8.438 -18.488 631 HB3 ARG 81 HB3 ARG 81 4.699 7.525 -17.038 632 HG2 ARG 81 HG2 ARG 81 6.651 8.929 -16.666 633 HG3 ARG 81 HG3 ARG 81 6.293 9.829 -18.141 634 HD2 ARG 81 HD2 ARG 81 4.510 9.638 -15.716 635 HD3 ARG 81 HD3 ARG 81 5.528 11.015 -16.136 636 HE ARG 81 HE ARG 81 3.808 10.421 -18.285 637 HH11 ARG 81 HH11 ARG 81 3.758 11.742 -15.065 638 HH12 ARG 81 HH12 ARG 81 2.376 12.746 -15.357 639 HH21 ARG 81 HH21 ARG 81 1.988 11.738 -18.683 640 HH22 ARG 81 HH22 ARG 81 1.370 12.742 -17.415 641 H LEU 82 H LEU 82 8.265 8.227 -18.534 642 HA LEU 82 HA LEU 82 8.108 9.954 -20.780 643 HB2 LEU 82 HB2 LEU 82 9.533 10.311 -18.763 644 HB3 LEU 82 HB3 LEU 82 10.583 9.018 -19.338 645 HG LEU 82 HG LEU 82 11.337 11.409 -19.763 646 HD11 LEU 82 HD11 LEU 82 12.564 10.691 -21.527 647 HD12 LEU 82 HD12 LEU 82 11.167 10.035 -22.378 648 HD13 LEU 82 HD13 LEU 82 11.887 9.136 -21.043 649 HD21 LEU 82 HD21 LEU 82 8.980 12.061 -20.537 650 HD22 LEU 82 HD22 LEU 82 9.420 11.305 -22.068 651 HD23 LEU 82 HD23 LEU 82 10.352 12.673 -21.461 652 H MET 83 H MET 83 9.716 6.844 -20.219 653 HA MET 83 HA MET 83 10.991 6.667 -22.721 654 HB2 MET 83 HB2 MET 83 10.060 4.477 -20.857 655 HB3 MET 83 HB3 MET 83 11.127 4.232 -22.233 656 HG2 MET 83 HG2 MET 83 12.788 5.698 -21.215 657 HG3 MET 83 HG3 MET 83 11.717 5.958 -19.840 658 HE1 MET 83 HE1 MET 83 12.673 3.592 -17.424 659 HE2 MET 83 HE2 MET 83 11.703 4.958 -17.976 660 HE3 MET 83 HE3 MET 83 11.076 3.315 -18.121 661 H VAL 84 H VAL 84 7.951 5.186 -21.587 662 HA VAL 84 HA VAL 84 7.200 3.967 -23.967 663 HB VAL 84 HB VAL 84 6.051 3.548 -21.847 664 HG11 VAL 84 HG11 VAL 84 4.398 5.144 -20.989 665 HG12 VAL 84 HG12 VAL 84 6.029 5.819 -20.969 666 HG13 VAL 84 HG13 VAL 84 4.887 6.306 -22.222 667 HG21 VAL 84 HG21 VAL 84 4.967 3.425 -24.271 668 HG22 VAL 84 HG22 VAL 84 4.059 3.017 -22.815 669 HG23 VAL 84 HG23 VAL 84 3.868 4.605 -23.557 670 H ASN 85 H ASN 85 6.895 7.303 -22.947 671 HA ASN 85 HA ASN 85 5.053 8.166 -24.890 672 HB2 ASN 85 HB2 ASN 85 7.018 9.472 -23.084 673 HB3 ASN 85 HB3 ASN 85 6.461 10.413 -24.464 674 HD21 ASN 85 HD21 ASN 85 6.003 10.520 -21.476 675 HD22 ASN 85 HD22 ASN 85 4.287 10.642 -21.320 676 H ASN 86 H ASN 86 8.612 8.291 -24.860 677 HA ASN 86 HA ASN 86 8.758 9.265 -27.551 678 HB2 ASN 86 HB2 ASN 86 10.475 9.403 -25.506 679 HB3 ASN 86 HB3 ASN 86 11.116 7.961 -26.287 680 HD21 ASN 86 HD21 ASN 86 13.013 9.311 -26.585 681 HD22 ASN 86 HD22 ASN 86 13.084 10.368 -27.950 682 H CYS 87 H CYS 87 8.454 6.183 -26.099 683 HA CYS 87 HA CYS 87 9.749 4.569 -28.000 684 HB2 CYS 87 HB2 CYS 87 8.850 3.890 -25.711 685 HB3 CYS 87 HB3 CYS 87 7.270 3.775 -26.476 686 HG CYS 87 HG CYS 87 9.967 1.760 -26.828 687 H ILE 88 H ILE 88 6.223 4.974 -27.645 688 HA ILE 88 HA ILE 88 5.661 3.991 -30.240 689 HB ILE 88 HB ILE 88 3.376 4.773 -29.869 690 HG12 ILE 88 HG12 ILE 88 3.145 5.759 -27.375 691 HG13 ILE 88 HG13 ILE 88 4.725 6.411 -27.794 692 HG21 ILE 88 HG21 ILE 88 3.268 2.840 -28.771 693 HG22 ILE 88 HG22 ILE 88 4.863 3.076 -28.059 694 HG23 ILE 88 HG23 ILE 88 3.440 3.772 -27.284 695 HD11 ILE 88 HD11 ILE 88 2.166 7.378 -28.506 696 HD12 ILE 88 HD12 ILE 88 3.748 8.042 -28.912 697 HD13 ILE 88 HD13 ILE 88 2.985 6.865 -29.981 698 H LEU 89 H LEU 89 6.313 7.175 -28.973 699 HA LEU 89 HA LEU 89 5.323 8.646 -31.195 700 HB2 LEU 89 HB2 LEU 89 5.713 9.590 -28.935 701 HB3 LEU 89 HB3 LEU 89 7.448 9.439 -29.209 702 HG LEU 89 HG LEU 89 6.392 11.743 -29.508 703 HD11 LEU 89 HD11 LEU 89 7.853 10.817 -31.952 704 HD12 LEU 89 HD12 LEU 89 8.647 10.855 -30.378 705 HD13 LEU 89 HD13 LEU 89 7.999 12.340 -31.074 706 HD21 LEU 89 HD21 LEU 89 5.231 12.231 -31.495 707 HD22 LEU 89 HD22 LEU 89 4.464 10.778 -30.854 708 HD23 LEU 89 HD23 LEU 89 5.601 10.655 -32.196 709 H PHE 90 H PHE 90 8.719 8.313 -30.164 710 HA PHE 90 HA PHE 90 9.835 9.083 -32.598 711 HB2 PHE 90 HB2 PHE 90 10.868 8.605 -30.179 712 HB3 PHE 90 HB3 PHE 90 11.307 7.087 -30.954 713 HD1 PHE 90 HD1 PHE 90 12.184 7.608 -33.529 714 HD2 PHE 90 HD2 PHE 90 12.574 10.119 -30.115 715 HE1 PHE 90 HE1 PHE 90 14.134 8.698 -34.559 716 HE2 PHE 90 HE2 PHE 90 14.525 11.215 -31.140 717 HZ PHE 90 HZ PHE 90 15.308 10.503 -33.364 718 H ASN 91 H ASN 91 9.663 5.759 -31.306 719 HA ASN 91 HA ASN 91 8.656 4.564 -33.611 720 HB2 ASN 91 HB2 ASN 91 11.336 5.343 -33.959 721 HB3 ASN 91 HB3 ASN 91 11.377 3.601 -33.701 722 HD21 ASN 91 HD21 ASN 91 9.284 2.599 -34.896 723 HD22 ASN 91 HD22 ASN 91 9.234 2.995 -36.577 724 H GLY 92 H GLY 92 7.598 3.060 -32.468 725 HA2 GLY 92 HA2 GLY 92 9.134 0.974 -31.175 726 HA3 GLY 92 HA3 GLY 92 8.123 1.912 -30.085 727 H ALA 93 H ALA 93 5.788 2.074 -30.717 728 HA ALA 93 HA ALA 93 4.881 -0.568 -31.609 729 HB1 ALA 93 HB1 ALA 93 3.490 -0.445 -29.888 730 HB2 ALA 93 HB2 ALA 93 4.088 1.170 -29.506 731 HB3 ALA 93 HB3 ALA 93 2.724 0.973 -30.607 732 H GLU 94 H GLU 94 3.439 2.688 -31.772 733 HA GLU 94 HA GLU 94 2.339 3.782 -33.437 734 HB2 GLU 94 HB2 GLU 94 4.731 2.985 -34.508 735 HB3 GLU 94 HB3 GLU 94 3.582 2.308 -35.654 736 HG2 GLU 94 HG2 GLU 94 2.533 4.643 -35.688 737 HG3 GLU 94 HG3 GLU 94 4.028 5.175 -34.920 738 H GLY 95 H GLY 95 1.522 0.987 -32.509 739 HA2 GLY 95 HA2 GLY 95 -0.881 0.771 -33.864 740 HA3 GLY 95 HA3 GLY 95 0.243 -0.278 -34.714 741 H ALA 96 H ALA 96 1.707 -0.878 -32.205 742 HA ALA 96 HA ALA 96 -0.291 -2.659 -30.969 743 HB1 ALA 96 HB1 ALA 96 2.621 -3.230 -31.509 744 HB2 ALA 96 HB2 ALA 96 1.517 -4.295 -30.638 745 HB3 ALA 96 HB3 ALA 96 1.239 -3.941 -32.344 746 H TYR 97 H TYR 97 -0.286 -0.430 -29.707 747 HA TYR 97 HA TYR 97 1.717 0.293 -27.954 748 HB2 TYR 97 HB2 TYR 97 0.040 1.425 -26.670 749 HB3 TYR 97 HB3 TYR 97 -0.436 1.524 -28.361 750 HD1 TYR 97 HD1 TYR 97 -2.241 -0.017 -29.207 751 HD2 TYR 97 HD2 TYR 97 -1.367 0.415 -25.065 752 HE1 TYR 97 HE1 TYR 97 -4.435 -0.979 -28.650 753 HE2 TYR 97 HE2 TYR 97 -3.558 -0.548 -24.497 754 HH TYR 97 HH TYR 97 -5.526 -1.239 -25.287 755 H ALA 98 H ALA 98 -0.492 -2.392 -27.780 756 HA ALA 98 HA ALA 98 -0.376 -3.041 -25.085 757 HB1 ALA 98 HB1 ALA 98 -0.341 -5.482 -26.445 758 HB2 ALA 98 HB2 ALA 98 -1.754 -4.587 -25.885 759 HB3 ALA 98 HB3 ALA 98 -1.154 -4.349 -27.526 760 H ASP 99 H ASP 99 2.045 -3.346 -27.547 761 HA ASP 99 HA ASP 99 3.676 -5.302 -26.340 762 HB2 ASP 99 HB2 ASP 99 4.473 -3.025 -28.166 763 HB3 ASP 99 HB3 ASP 99 5.460 -4.437 -27.799 764 H ALA 100 H ALA 100 3.463 -1.813 -25.950 765 HA ALA 100 HA ALA 100 5.782 -1.667 -24.245 766 HB1 ALA 100 HB1 ALA 100 4.161 0.177 -25.663 767 HB2 ALA 100 HB2 ALA 100 4.156 0.643 -23.962 768 HB3 ALA 100 HB3 ALA 100 5.684 0.470 -24.824 769 H ALA 101 H ALA 101 2.383 -2.181 -23.856 770 HA ALA 101 HA ALA 101 2.175 -1.391 -21.132 771 HB1 ALA 101 HB1 ALA 101 0.025 -2.460 -21.154 772 HB2 ALA 101 HB2 ALA 101 0.246 -1.605 -22.681 773 HB3 ALA 101 HB3 ALA 101 0.438 -3.357 -22.616 774 H ARG 102 H ARG 102 3.149 -4.326 -22.752 775 HA ARG 102 HA ARG 102 2.888 -6.122 -20.605 776 HB2 ARG 102 HB2 ARG 102 3.530 -6.423 -23.186 777 HB3 ARG 102 HB3 ARG 102 5.149 -6.475 -22.502 778 HG2 ARG 102 HG2 ARG 102 2.967 -8.198 -21.399 779 HG3 ARG 102 HG3 ARG 102 3.870 -8.679 -22.837 780 HD2 ARG 102 HD2 ARG 102 5.624 -7.768 -20.722 781 HD3 ARG 102 HD3 ARG 102 4.598 -9.098 -20.188 782 HE ARG 102 HE ARG 102 6.739 -9.218 -22.105 783 HH11 ARG 102 HH11 ARG 102 3.802 -10.714 -20.984 784 HH12 ARG 102 HH12 ARG 102 4.202 -12.276 -21.618 785 HH21 ARG 102 HH21 ARG 102 7.276 -11.270 -22.944 786 HH22 ARG 102 HH22 ARG 102 6.179 -12.591 -22.732 787 H THR 103 H THR 103 5.732 -4.300 -21.738 788 HA THR 103 HA THR 103 7.459 -5.144 -19.679 789 HB THR 103 HB THR 103 8.357 -4.170 -21.710 790 HG1 THR 103 HG1 THR 103 9.662 -3.903 -19.890 791 HG21 THR 103 HG21 THR 103 7.012 -1.626 -20.795 792 HG22 THR 103 HG22 THR 103 6.621 -2.566 -22.234 793 HG23 THR 103 HG23 THR 103 8.170 -1.731 -22.120 794 H PHE 104 H PHE 104 5.110 -2.562 -19.881 795 HA PHE 104 HA PHE 104 5.974 -1.028 -17.687 796 HB2 PHE 104 HB2 PHE 104 4.388 -0.085 -19.219 797 HB3 PHE 104 HB3 PHE 104 3.241 -1.388 -18.923 798 HD1 PHE 104 HD1 PHE 104 1.934 -1.454 -16.873 799 HD2 PHE 104 HD2 PHE 104 4.630 1.740 -17.679 800 HE1 PHE 104 HE1 PHE 104 0.872 -0.115 -15.104 801 HE2 PHE 104 HE2 PHE 104 3.572 3.084 -15.909 802 HZ PHE 104 HZ PHE 104 1.689 2.157 -14.620 803 H GLU 105 H GLU 105 3.451 -3.538 -17.879 804 HA GLU 105 HA GLU 105 2.699 -3.571 -15.216 805 HB2 GLU 105 HB2 GLU 105 2.553 -5.459 -17.474 806 HB3 GLU 105 HB3 GLU 105 2.466 -6.201 -15.883 807 HG2 GLU 105 HG2 GLU 105 0.730 -3.873 -16.604 808 HG3 GLU 105 HG3 GLU 105 0.284 -5.522 -17.037 809 H LYS 106 H LYS 106 5.340 -5.311 -16.805 810 HA LYS 106 HA LYS 106 6.162 -6.890 -14.661 811 HB2 LYS 106 HB2 LYS 106 7.038 -6.430 -17.243 812 HB3 LYS 106 HB3 LYS 106 8.378 -5.854 -16.260 813 HG2 LYS 106 HG2 LYS 106 7.133 -8.557 -15.864 814 HG3 LYS 106 HG3 LYS 106 8.460 -8.272 -16.991 815 HD2 LYS 106 HD2 LYS 106 9.910 -7.580 -15.234 816 HD3 LYS 106 HD3 LYS 106 8.579 -7.525 -14.075 817 HE2 LYS 106 HE2 LYS 106 8.305 -10.017 -14.523 818 HE3 LYS 106 HE3 LYS 106 9.872 -9.934 -15.326 819 HZ1 LYS 106 HZ1 LYS 106 9.231 -9.542 -12.477 820 HZ2 LYS 106 HZ2 LYS 106 10.625 -8.847 -13.136 821 HZ3 LYS 106 HZ3 LYS 106 10.416 -10.524 -13.178 822 H PHE 107 H PHE 107 7.074 -3.580 -15.531 823 HA PHE 107 HA PHE 107 9.071 -3.156 -13.652 824 HB2 PHE 107 HB2 PHE 107 7.292 -1.478 -15.271 825 HB3 PHE 107 HB3 PHE 107 7.816 -0.713 -13.775 826 HD1 PHE 107 HD1 PHE 107 9.166 -2.565 -16.709 827 HD2 PHE 107 HD2 PHE 107 9.845 0.382 -13.714 828 HE1 PHE 107 HE1 PHE 107 11.316 -1.997 -17.761 829 HE2 PHE 107 HE2 PHE 107 11.996 0.956 -14.762 830 HZ PHE 107 HZ PHE 107 12.734 -0.233 -16.788 831 H ALA 108 H ALA 108 5.565 -2.751 -13.326 832 HA ALA 108 HA ALA 108 5.565 -1.711 -10.716 833 HB1 ALA 108 HB1 ALA 108 3.492 -3.225 -12.281 834 HB2 ALA 108 HB2 ALA 108 3.194 -2.596 -10.660 835 HB3 ALA 108 HB3 ALA 108 3.583 -1.490 -11.977 836 H MET 109 H MET 109 5.617 -5.015 -11.930 837 HA MET 109 HA MET 109 5.046 -6.364 -9.548 838 HB2 MET 109 HB2 MET 109 5.636 -7.101 -12.129 839 HB3 MET 109 HB3 MET 109 7.043 -7.676 -11.246 840 HG2 MET 109 HG2 MET 109 5.650 -8.985 -9.785 841 HG3 MET 109 HG3 MET 109 4.195 -8.326 -10.529 842 HE1 MET 109 HE1 MET 109 3.955 -11.466 -10.615 843 HE2 MET 109 HE2 MET 109 5.325 -12.267 -11.385 844 HE3 MET 109 HE3 MET 109 5.580 -11.257 -9.962 845 H GLY 110 H GLY 110 8.164 -5.329 -10.908 846 HA2 GLY 110 HA2 GLY 110 9.830 -6.426 -8.953 847 HA3 GLY 110 HA3 GLY 110 10.211 -5.010 -9.922 848 H LYS 111 H LYS 111 8.421 -3.159 -9.092 849 HA LYS 111 HA LYS 111 9.536 -2.112 -6.793 850 HB2 LYS 111 HB2 LYS 111 8.004 -1.007 -8.559 851 HB3 LYS 111 HB3 LYS 111 6.678 -1.558 -7.544 852 HG2 LYS 111 HG2 LYS 111 6.971 0.537 -6.707 853 HG3 LYS 111 HG3 LYS 111 8.068 -0.361 -5.656 854 HD2 LYS 111 HD2 LYS 111 9.569 0.314 -7.924 855 HD3 LYS 111 HD3 LYS 111 8.643 1.760 -7.516 856 HE2 LYS 111 HE2 LYS 111 9.660 2.000 -5.473 857 HE3 LYS 111 HE3 LYS 111 10.018 0.279 -5.329 858 HZ1 LYS 111 HZ1 LYS 111 11.403 1.328 -7.539 859 HZ2 LYS 111 HZ2 LYS 111 12.034 0.649 -6.123 860 HZ3 LYS 111 HZ3 LYS 111 11.713 2.308 -6.195 861 H ILE 112 H ILE 112 6.773 -4.258 -7.140 862 HA ILE 112 HA ILE 112 5.790 -4.073 -4.512 863 HB ILE 112 HB ILE 112 5.658 -6.416 -6.414 864 HG12 ILE 112 HG12 ILE 112 3.417 -4.503 -5.860 865 HG13 ILE 112 HG13 ILE 112 4.671 -4.061 -7.013 866 HG21 ILE 112 HG21 ILE 112 4.735 -7.546 -4.741 867 HG22 ILE 112 HG22 ILE 112 4.829 -6.140 -3.683 868 HG23 ILE 112 HG23 ILE 112 3.423 -6.368 -4.722 869 HD11 ILE 112 HD11 ILE 112 3.457 -5.113 -8.537 870 HD12 ILE 112 HD12 ILE 112 3.956 -6.618 -7.765 871 HD13 ILE 112 HD13 ILE 112 2.430 -5.858 -7.312 872 H ASP 113 H ASP 113 8.121 -6.310 -5.983 873 HA ASP 113 HA ASP 113 8.559 -7.949 -3.771 874 HB2 ASP 113 HB2 ASP 113 10.138 -7.235 -6.200 875 HB3 ASP 113 HB3 ASP 113 10.960 -8.089 -4.897 876 H ALA 114 H ALA 114 10.356 -5.048 -4.787 877 HA ALA 114 HA ALA 114 12.163 -4.998 -2.648 878 HB1 ALA 114 HB1 ALA 114 12.343 -2.535 -3.205 879 HB2 ALA 114 HB2 ALA 114 12.655 -3.660 -4.528 880 HB3 ALA 114 HB3 ALA 114 11.108 -2.820 -4.432 881 H TYR 115 H TYR 115 8.946 -3.571 -3.001 882 HA TYR 115 HA TYR 115 8.844 -1.977 -0.754 883 HB2 TYR 115 HB2 TYR 115 7.023 -1.922 -2.292 884 HB3 TYR 115 HB3 TYR 115 6.695 -3.638 -2.071 885 HD1 TYR 115 HD1 TYR 115 7.301 -1.050 0.532 886 HD2 TYR 115 HD2 TYR 115 4.490 -3.673 -1.291 887 HE1 TYR 115 HE1 TYR 115 5.665 -0.506 2.286 888 HE2 TYR 115 HE2 TYR 115 2.846 -3.135 0.457 889 HH TYR 115 HH TYR 115 2.907 -2.297 2.847 890 H ILE 116 H ILE 116 7.932 -5.414 -0.980 891 HA ILE 116 HA ILE 116 7.279 -5.804 1.700 892 HB ILE 116 HB ILE 116 8.504 -7.818 -0.188 893 HG12 ILE 116 HG12 ILE 116 6.467 -6.772 -1.094 894 HG13 ILE 116 HG13 ILE 116 6.195 -8.463 -0.688 895 HG21 ILE 116 HG21 ILE 116 8.651 -8.793 1.916 896 HG22 ILE 116 HG22 ILE 116 7.146 -8.060 2.468 897 HG23 ILE 116 HG23 ILE 116 7.106 -9.387 1.308 898 HD11 ILE 116 HD11 ILE 116 5.533 -6.942 1.592 899 HD12 ILE 116 HD12 ILE 116 4.787 -6.161 0.199 900 HD13 ILE 116 HD13 ILE 116 4.461 -7.861 0.536 901 H SER 117 H SER 117 10.399 -5.930 0.068 902 HA SER 117 HA SER 117 11.890 -7.019 2.195 903 HB2 SER 117 HB2 SER 117 12.449 -5.744 -0.378 904 HB3 SER 117 HB3 SER 117 13.675 -5.399 0.842 905 HG SER 117 HG SER 117 14.344 -7.284 0.045 906 H GLN 118 H GLN 118 10.615 -3.865 1.640 907 HA GLN 118 HA GLN 118 12.010 -2.902 4.048 908 HB2 GLN 118 HB2 GLN 118 11.920 -0.616 3.043 909 HB3 GLN 118 HB3 GLN 118 12.975 -1.734 2.189 910 HG2 GLN 118 HG2 GLN 118 10.705 -2.110 0.810 911 HG3 GLN 118 HG3 GLN 118 10.479 -0.437 1.317 912 HE21 GLN 118 HE21 GLN 118 13.293 -2.344 0.299 913 HE22 GLN 118 HE22 GLN 118 13.796 -1.256 -0.945 914 H LYS 119 H LYS 119 10.048 -3.799 5.075 915 HA LYS 119 HA LYS 119 7.681 -2.091 4.736 916 HB2 LYS 119 HB2 LYS 119 8.034 -4.897 5.177 917 HB3 LYS 119 HB3 LYS 119 7.157 -4.218 6.542 918 HG2 LYS 119 HG2 LYS 119 5.343 -3.643 5.273 919 HG3 LYS 119 HG3 LYS 119 6.290 -3.495 3.790 920 HD2 LYS 119 HD2 LYS 119 5.164 -5.451 3.376 921 HD3 LYS 119 HD3 LYS 119 6.630 -6.079 4.132 922 HE2 LYS 119 HE2 LYS 119 4.289 -5.400 5.849 923 HE3 LYS 119 HE3 LYS 119 4.252 -6.889 4.905 924 HZ1 LYS 119 HZ1 LYS 119 5.140 -7.389 7.036 925 HZ2 LYS 119 HZ2 LYS 119 6.252 -6.116 6.956 926 HZ3 LYS 119 HZ3 LYS 119 6.425 -7.456 5.938 927 H VAL 120 H VAL 120 9.765 -3.499 7.247 928 HA VAL 120 HA VAL 120 8.588 -1.945 9.349 929 HB VAL 120 HB VAL 120 9.683 -4.165 9.710 930 HG11 VAL 120 HG11 VAL 120 12.290 -2.677 9.568 931 HG12 VAL 120 HG12 VAL 120 12.025 -4.416 9.711 932 HG13 VAL 120 HG13 VAL 120 11.644 -3.585 8.202 933 HG21 VAL 120 HG21 VAL 120 10.470 -3.638 11.866 934 HG22 VAL 120 HG22 VAL 120 11.004 -2.033 11.366 935 HG23 VAL 120 HG23 VAL 120 9.281 -2.391 11.491 936 H GLY 121 H GLY 121 10.672 -1.168 6.870 937 HA2 GLY 121 HA2 GLY 121 12.455 0.589 8.263 938 HA3 GLY 121 HA3 GLY 121 12.214 0.513 6.524 939 H GLY 122 H GLY 122 9.260 0.901 6.933 940 HA2 GLY 122 HA2 GLY 122 8.069 2.850 8.020 941 HA3 GLY 122 HA3 GLY 122 9.389 3.818 7.378 942 H LEU 123 H LEU 123 8.793 1.435 5.178 943 HA LEU 123 HA LEU 123 7.315 3.284 3.477 944 HB2 LEU 123 HB2 LEU 123 9.259 1.194 3.080 945 HB3 LEU 123 HB3 LEU 123 7.848 0.935 2.056 946 HG LEU 123 HG LEU 123 9.304 3.563 2.116 947 HD11 LEU 123 HD11 LEU 123 10.676 2.881 0.315 948 HD12 LEU 123 HD12 LEU 123 9.824 1.346 0.152 949 HD13 LEU 123 HD13 LEU 123 10.841 1.643 1.561 950 HD21 LEU 123 HD21 LEU 123 7.824 2.372 -0.190 951 HD22 LEU 123 HD22 LEU 123 8.127 4.066 0.196 952 HD23 LEU 123 HD23 LEU 123 6.936 3.151 1.121 953 H GLU 124 H GLU 124 6.784 0.493 5.371 954 HA GLU 124 HA GLU 124 4.787 -0.869 4.044 955 HB2 GLU 124 HB2 GLU 124 3.966 -1.544 6.274 956 HB3 GLU 124 HB3 GLU 124 5.713 -1.676 6.133 957 HG2 GLU 124 HG2 GLU 124 5.996 0.396 7.357 958 HG3 GLU 124 HG3 GLU 124 4.247 0.599 7.450 Start of MODEL 4 1 H1 MET 1 H1 MET 1 1.336 -1.124 -0.386 2 HA MET 1 HA MET 1 0.852 1.546 -0.740 3 HB2 MET 1 HB2 MET 1 0.712 -0.273 1.612 4 HB3 MET 1 HB3 MET 1 0.565 1.454 1.909 5 HG2 MET 1 HG2 MET 1 -1.261 1.492 0.191 6 HG3 MET 1 HG3 MET 1 -1.189 -0.269 0.184 7 HE1 MET 1 HE1 MET 1 -3.813 -1.090 2.454 8 HE2 MET 1 HE2 MET 1 -2.842 -1.357 1.006 9 HE3 MET 1 HE3 MET 1 -2.194 -1.778 2.592 10 H SER 2 H SER 2 2.826 2.554 -1.337 11 HA SER 2 HA SER 2 5.127 2.652 0.262 12 HB2 SER 2 HB2 SER 2 4.613 5.098 -1.269 13 HB3 SER 2 HB3 SER 2 5.946 3.950 -1.394 14 HG SER 2 HG SER 2 4.781 2.728 -2.777 15 H GLN 3 H GLN 3 5.793 5.241 0.725 16 HA GLN 3 HA GLN 3 3.720 6.371 2.451 17 HB2 GLN 3 HB2 GLN 3 5.678 4.787 3.525 18 HB3 GLN 3 HB3 GLN 3 6.392 6.387 3.672 19 HG2 GLN 3 HG2 GLN 3 3.873 5.334 4.895 20 HG3 GLN 3 HG3 GLN 3 5.270 6.069 5.682 21 HE21 GLN 3 HE21 GLN 3 5.686 8.383 4.927 22 HE22 GLN 3 HE22 GLN 3 4.298 9.407 4.834 23 H ASN 4 H ASN 4 3.509 8.431 1.912 24 HA ASN 4 HA ASN 4 5.464 9.827 0.384 25 HB2 ASN 4 HB2 ASN 4 3.907 11.805 0.804 26 HB3 ASN 4 HB3 ASN 4 3.207 10.418 -0.026 27 HD21 ASN 4 HD21 ASN 4 1.180 11.352 0.677 28 HD22 ASN 4 HD22 ASN 4 0.595 11.003 2.265 29 H ARG 5 H ARG 5 7.316 9.679 1.776 30 HA ARG 5 HA ARG 5 7.680 12.002 3.375 31 HB2 ARG 5 HB2 ARG 5 6.465 10.654 5.020 32 HB3 ARG 5 HB3 ARG 5 7.618 9.343 4.813 33 HG2 ARG 5 HG2 ARG 5 9.393 11.010 5.566 34 HG3 ARG 5 HG3 ARG 5 8.045 12.022 6.087 35 HD2 ARG 5 HD2 ARG 5 7.576 10.705 7.850 36 HD3 ARG 5 HD3 ARG 5 7.887 9.222 6.949 37 HE ARG 5 HE ARG 5 10.004 9.203 7.803 38 HH11 ARG 5 HH11 ARG 5 8.682 12.405 8.151 39 HH12 ARG 5 HH12 ARG 5 10.018 12.997 9.082 40 HH21 ARG 5 HH21 ARG 5 11.768 9.970 9.028 41 HH22 ARG 5 HH22 ARG 5 11.773 11.611 9.580 42 H GLN 6 H GLN 6 9.094 8.762 3.740 43 HA GLN 6 HA GLN 6 11.542 9.737 2.442 44 HB2 GLN 6 HB2 GLN 6 12.920 9.183 4.189 45 HB3 GLN 6 HB3 GLN 6 11.487 9.675 5.082 46 HG2 GLN 6 HG2 GLN 6 12.312 6.855 4.429 47 HG3 GLN 6 HG3 GLN 6 12.391 7.641 6.006 48 HE21 GLN 6 HE21 GLN 6 10.853 5.301 4.705 49 HE22 GLN 6 HE22 GLN 6 9.238 5.537 5.269 50 H LEU 7 H LEU 7 12.909 8.080 1.582 51 HA LEU 7 HA LEU 7 11.451 5.582 1.030 52 HB2 LEU 7 HB2 LEU 7 13.060 7.394 -0.636 53 HB3 LEU 7 HB3 LEU 7 13.364 5.677 -0.888 54 HG LEU 7 HG LEU 7 11.639 6.874 -2.383 55 HD11 LEU 7 HD11 LEU 7 10.069 4.731 -1.904 56 HD12 LEU 7 HD12 LEU 7 11.561 4.223 -1.113 57 HD13 LEU 7 HD13 LEU 7 11.575 4.669 -2.819 58 HD21 LEU 7 HD21 LEU 7 10.532 7.745 -0.147 59 HD22 LEU 7 HD22 LEU 7 9.671 6.210 -0.258 60 HD23 LEU 7 HD23 LEU 7 9.565 7.377 -1.576 61 H LEU 8 H LEU 8 12.267 3.785 1.865 62 HA LEU 8 HA LEU 8 14.494 3.629 3.483 63 HB2 LEU 8 HB2 LEU 8 12.627 1.788 2.286 64 HB3 LEU 8 HB3 LEU 8 14.245 1.091 2.339 65 HG LEU 8 HG LEU 8 12.628 2.093 4.680 66 HD11 LEU 8 HD11 LEU 8 11.765 0.021 4.326 67 HD12 LEU 8 HD12 LEU 8 13.182 -0.432 5.273 68 HD13 LEU 8 HD13 LEU 8 13.216 -0.570 3.516 69 HD21 LEU 8 HD21 LEU 8 14.536 2.361 5.779 70 HD22 LEU 8 HD22 LEU 8 15.461 1.858 4.364 71 HD23 LEU 8 HD23 LEU 8 14.897 0.653 5.522 72 H TYR 9 H TYR 9 14.400 1.917 0.368 73 HA TYR 9 HA TYR 9 16.733 3.126 -0.680 74 HB2 TYR 9 HB2 TYR 9 18.114 0.935 -0.525 75 HB3 TYR 9 HB3 TYR 9 18.075 2.010 0.868 76 HD1 TYR 9 HD1 TYR 9 16.834 1.393 2.882 77 HD2 TYR 9 HD2 TYR 9 17.052 -1.234 -0.457 78 HE1 TYR 9 HE1 TYR 9 16.042 -0.458 4.295 79 HE2 TYR 9 HE2 TYR 9 16.259 -3.092 0.946 80 HH TYR 9 HH TYR 9 16.098 -2.888 4.346 81 HA PRO 10 HA PRO 10 14.026 0.734 -3.593 82 HB2 PRO 10 HB2 PRO 10 13.711 2.784 -5.345 83 HB3 PRO 10 HB3 PRO 10 12.670 2.557 -3.934 84 HG2 PRO 10 HG2 PRO 10 15.007 4.394 -4.288 85 HG3 PRO 10 HG3 PRO 10 13.437 4.715 -3.529 86 HD2 PRO 10 HD2 PRO 10 15.667 4.177 -2.091 87 HD3 PRO 10 HD3 PRO 10 14.044 3.701 -1.551 88 H ARG 11 H ARG 11 15.214 -0.598 -4.803 89 HA ARG 11 HA ARG 11 16.608 0.183 -7.082 90 HB2 ARG 11 HB2 ARG 11 18.951 -0.473 -6.251 91 HB3 ARG 11 HB3 ARG 11 18.352 1.128 -5.839 92 HG2 ARG 11 HG2 ARG 11 18.329 0.693 -3.639 93 HG3 ARG 11 HG3 ARG 11 17.747 -0.957 -3.867 94 HD2 ARG 11 HD2 ARG 11 20.190 -1.282 -4.843 95 HD3 ARG 11 HD3 ARG 11 20.526 0.092 -3.791 96 HE ARG 11 HE ARG 11 19.082 -1.885 -2.381 97 HH11 ARG 11 HH11 ARG 11 22.242 -1.219 -3.681 98 HH12 ARG 11 HH12 ARG 11 23.070 -2.205 -2.522 99 HH21 ARG 11 HH21 ARG 11 20.160 -3.186 -0.849 100 HH22 ARG 11 HH22 ARG 11 21.885 -3.324 -0.912 101 H GLU 12 H GLU 12 16.280 -2.155 -4.484 102 HA GLU 12 HA GLU 12 17.359 -4.415 -5.655 103 HB2 GLU 12 HB2 GLU 12 15.990 -3.895 -3.347 104 HB3 GLU 12 HB3 GLU 12 14.833 -4.885 -4.225 105 HG2 GLU 12 HG2 GLU 12 17.132 -6.297 -4.571 106 HG3 GLU 12 HG3 GLU 12 17.363 -5.619 -2.961 107 H GLU 13 H GLU 13 14.378 -2.770 -6.364 108 HA GLU 13 HA GLU 13 13.314 -4.944 -7.948 109 HB2 GLU 13 HB2 GLU 13 11.490 -3.372 -8.469 110 HB3 GLU 13 HB3 GLU 13 11.766 -3.514 -6.739 111 HG2 GLU 13 HG2 GLU 13 13.038 -1.415 -6.784 112 HG3 GLU 13 HG3 GLU 13 12.701 -1.266 -8.508 113 H MET 14 H MET 14 14.881 -1.831 -8.489 114 HA MET 14 HA MET 14 14.534 -1.509 -11.198 115 HB2 MET 14 HB2 MET 14 17.029 -0.938 -9.590 116 HB3 MET 14 HB3 MET 14 16.683 -0.285 -11.185 117 HG2 MET 14 HG2 MET 14 14.579 0.699 -10.151 118 HG3 MET 14 HG3 MET 14 15.299 0.300 -8.593 119 HE1 MET 14 HE1 MET 14 16.451 2.902 -7.444 120 HE2 MET 14 HE2 MET 14 15.604 3.986 -8.549 121 HE3 MET 14 HE3 MET 14 14.826 2.501 -8.001 122 H VAL 15 H VAL 15 17.096 -3.365 -9.569 123 HA VAL 15 HA VAL 15 18.437 -4.229 -11.865 124 HB VAL 15 HB VAL 15 19.290 -6.092 -10.454 125 HG11 VAL 15 HG11 VAL 15 20.557 -4.125 -10.346 126 HG12 VAL 15 HG12 VAL 15 19.323 -3.276 -9.413 127 HG13 VAL 15 HG13 VAL 15 20.273 -4.558 -8.661 128 HG21 VAL 15 HG21 VAL 15 18.631 -6.267 -8.135 129 HG22 VAL 15 HG22 VAL 15 17.505 -4.923 -8.323 130 HG23 VAL 15 HG23 VAL 15 17.210 -6.445 -9.164 131 H SER 16 H SER 16 15.522 -5.381 -10.338 132 HA SER 16 HA SER 16 15.368 -7.936 -11.476 133 HB2 SER 16 HB2 SER 16 13.882 -6.786 -9.657 134 HB3 SER 16 HB3 SER 16 12.909 -6.271 -11.035 135 HG SER 16 HG SER 16 12.694 -8.471 -11.609 136 H LEU 17 H LEU 17 13.990 -4.855 -12.609 137 HA LEU 17 HA LEU 17 12.804 -5.810 -14.942 138 HB2 LEU 17 HB2 LEU 17 14.050 -3.103 -14.489 139 HB3 LEU 17 HB3 LEU 17 12.873 -3.508 -15.737 140 HG LEU 17 HG LEU 17 11.456 -2.558 -14.253 141 HD11 LEU 17 HD11 LEU 17 11.671 -5.194 -12.825 142 HD12 LEU 17 HD12 LEU 17 10.936 -5.026 -14.419 143 HD13 LEU 17 HD13 LEU 17 10.246 -4.177 -13.036 144 HD21 LEU 17 HD21 LEU 17 12.356 -1.703 -12.414 145 HD22 LEU 17 HD22 LEU 17 13.693 -2.852 -12.483 146 HD23 LEU 17 HD23 LEU 17 12.201 -3.284 -11.647 147 H VAL 18 H VAL 18 15.904 -4.051 -14.729 148 HA VAL 18 HA VAL 18 16.770 -4.435 -17.314 149 HB VAL 18 HB VAL 18 17.917 -2.995 -15.663 150 HG11 VAL 18 HG11 VAL 18 19.522 -3.980 -14.101 151 HG12 VAL 18 HG12 VAL 18 17.877 -4.521 -13.759 152 HG13 VAL 18 HG13 VAL 18 19.006 -5.594 -14.586 153 HG21 VAL 18 HG21 VAL 18 19.944 -3.115 -16.722 154 HG22 VAL 18 HG22 VAL 18 20.014 -4.875 -16.624 155 HG23 VAL 18 HG23 VAL 18 18.970 -4.098 -17.815 156 H ARG 19 H ARG 19 16.847 -6.674 -14.622 157 HA ARG 19 HA ARG 19 18.589 -8.569 -15.844 158 HB2 ARG 19 HB2 ARG 19 16.826 -8.512 -13.446 159 HB3 ARG 19 HB3 ARG 19 17.307 -10.087 -14.065 160 HG2 ARG 19 HG2 ARG 19 19.683 -9.318 -13.930 161 HG3 ARG 19 HG3 ARG 19 19.099 -7.874 -13.100 162 HD2 ARG 19 HD2 ARG 19 19.742 -9.359 -11.392 163 HD3 ARG 19 HD3 ARG 19 17.982 -9.452 -11.456 164 HE ARG 19 HE ARG 19 18.968 -11.453 -13.109 165 HH11 ARG 19 HH11 ARG 19 19.038 -10.607 -9.732 166 HH12 ARG 19 HH12 ARG 19 19.162 -12.248 -9.190 167 HH21 ARG 19 HH21 ARG 19 19.131 -13.618 -12.406 168 HH22 ARG 19 HH22 ARG 19 19.216 -13.959 -10.712 169 H SER 20 H SER 20 15.100 -8.124 -15.737 170 HA SER 20 HA SER 20 14.339 -10.598 -16.822 171 HB2 SER 20 HB2 SER 20 12.206 -9.711 -16.982 172 HB3 SER 20 HB3 SER 20 12.922 -8.630 -15.786 173 HG SER 20 HG SER 20 12.450 -8.165 -18.531 174 H LEU 21 H LEU 21 15.524 -7.667 -18.306 175 HA LEU 21 HA LEU 21 15.072 -8.796 -20.977 176 HB2 LEU 21 HB2 LEU 21 15.406 -6.607 -21.848 177 HB3 LEU 21 HB3 LEU 21 14.286 -6.488 -20.492 178 HG LEU 21 HG LEU 21 16.878 -6.036 -19.462 179 HD11 LEU 21 HD11 LEU 21 17.982 -4.674 -20.862 180 HD12 LEU 21 HD12 LEU 21 16.504 -3.935 -21.477 181 HD13 LEU 21 HD13 LEU 21 17.042 -5.490 -22.111 182 HD21 LEU 21 HD21 LEU 21 14.367 -4.486 -19.874 183 HD22 LEU 21 HD22 LEU 21 15.820 -3.637 -19.347 184 HD23 LEU 21 HD23 LEU 21 15.170 -4.958 -18.376 185 H ASP 22 H ASP 22 16.836 -8.485 -22.577 186 HA ASP 22 HA ASP 22 19.481 -7.941 -21.943 187 HB2 ASP 22 HB2 ASP 22 18.692 -10.322 -20.725 188 HB3 ASP 22 HB3 ASP 22 19.576 -10.836 -22.159 189 H ARG 23 H ARG 23 19.449 -7.090 -24.004 190 HA ARG 23 HA ARG 23 20.080 -8.913 -26.122 191 HB2 ARG 23 HB2 ARG 23 17.452 -8.655 -25.909 192 HB3 ARG 23 HB3 ARG 23 17.758 -7.161 -26.784 193 HG2 ARG 23 HG2 ARG 23 17.194 -8.888 -28.346 194 HG3 ARG 23 HG3 ARG 23 18.897 -8.470 -28.544 195 HD2 ARG 23 HD2 ARG 23 18.366 -10.933 -28.572 196 HD3 ARG 23 HD3 ARG 23 19.603 -10.430 -27.420 197 HE ARG 23 HE ARG 23 18.209 -11.037 -25.695 198 HH11 ARG 23 HH11 ARG 23 16.431 -11.009 -28.688 199 HH12 ARG 23 HH12 ARG 23 15.030 -11.774 -28.014 200 HH21 ARG 23 HH21 ARG 23 16.371 -12.045 -24.797 201 HH22 ARG 23 HH22 ARG 23 14.997 -12.362 -25.801 202 HA PRO 24 HA PRO 24 21.917 -4.622 -26.264 203 HB2 PRO 24 HB2 PRO 24 24.502 -5.453 -26.269 204 HB3 PRO 24 HB3 PRO 24 23.590 -5.161 -24.784 205 HG2 PRO 24 HG2 PRO 24 24.167 -7.748 -26.175 206 HG3 PRO 24 HG3 PRO 24 24.223 -7.372 -24.443 207 HD2 PRO 24 HD2 PRO 24 22.133 -8.658 -25.588 208 HD3 PRO 24 HD3 PRO 24 21.940 -7.571 -24.197 209 H GLN 25 H GLN 25 20.864 -4.918 -28.434 210 HA GLN 25 HA GLN 25 22.394 -6.135 -30.534 211 HB2 GLN 25 HB2 GLN 25 20.007 -4.283 -30.646 212 HB3 GLN 25 HB3 GLN 25 20.689 -5.132 -32.027 213 HG2 GLN 25 HG2 GLN 25 20.260 -7.154 -30.222 214 HG3 GLN 25 HG3 GLN 25 18.890 -6.079 -29.949 215 HE21 GLN 25 HE21 GLN 25 20.683 -7.733 -32.504 216 HE22 GLN 25 HE22 GLN 25 19.323 -7.989 -33.538 217 H GLU 26 H GLU 26 21.606 -2.778 -29.647 218 HA GLU 26 HA GLU 26 23.346 -1.680 -31.645 219 HB2 GLU 26 HB2 GLU 26 21.409 -0.685 -29.723 220 HB3 GLU 26 HB3 GLU 26 22.849 0.322 -29.772 221 HG2 GLU 26 HG2 GLU 26 21.797 1.346 -31.455 222 HG3 GLU 26 HG3 GLU 26 22.377 -0.015 -32.413 223 H ASN 27 H ASN 27 23.466 -1.976 -28.106 224 HA ASN 27 HA ASN 27 25.175 -1.766 -26.614 225 HB2 ASN 27 HB2 ASN 27 25.846 -3.783 -28.056 226 HB3 ASN 27 HB3 ASN 27 26.996 -2.696 -28.828 227 HD21 ASN 27 HD21 ASN 27 25.944 -3.666 -25.582 228 HD22 ASN 27 HD22 ASN 27 27.529 -3.713 -24.897 229 H GLY 28 H GLY 28 24.667 0.650 -27.241 230 HA2 GLY 28 HA2 GLY 28 27.210 1.980 -27.284 231 HA3 GLY 28 HA3 GLY 28 26.291 2.247 -28.758 232 H LEU 29 H LEU 29 23.703 2.255 -27.529 233 HA LEU 29 HA LEU 29 23.543 4.116 -25.413 234 HB2 LEU 29 HB2 LEU 29 24.426 5.450 -27.470 235 HB3 LEU 29 HB3 LEU 29 22.751 5.362 -28.012 236 HG LEU 29 HG LEU 29 23.541 6.509 -25.343 237 HD11 LEU 29 HD11 LEU 29 23.430 8.705 -26.333 238 HD12 LEU 29 HD12 LEU 29 23.081 8.010 -27.916 239 HD13 LEU 29 HD13 LEU 29 24.655 7.746 -27.165 240 HD21 LEU 29 HD21 LEU 29 21.271 7.741 -26.091 241 HD22 LEU 29 HD22 LEU 29 21.308 6.258 -25.138 242 HD23 LEU 29 HD23 LEU 29 21.046 6.179 -26.881 243 H PHE 30 H PHE 30 22.057 2.753 -28.295 244 HA PHE 30 HA PHE 30 19.372 3.277 -27.609 245 HB2 PHE 30 HB2 PHE 30 20.799 1.616 -29.575 246 HB3 PHE 30 HB3 PHE 30 19.220 0.994 -29.106 247 HD1 PHE 30 HD1 PHE 30 20.857 4.161 -30.192 248 HD2 PHE 30 HD2 PHE 30 17.354 1.743 -30.223 249 HE1 PHE 30 HE1 PHE 30 19.780 5.746 -31.734 250 HE2 PHE 30 HE2 PHE 30 16.272 3.324 -31.766 251 HZ PHE 30 HZ PHE 30 17.485 5.330 -32.523 252 H SER 31 H SER 31 21.641 1.155 -26.273 253 HA SER 31 HA SER 31 19.596 -0.033 -24.583 254 HB2 SER 31 HB2 SER 31 21.451 -1.680 -26.312 255 HB3 SER 31 HB3 SER 31 20.571 -2.335 -24.931 256 HG SER 31 HG SER 31 19.636 -2.376 -27.232 257 H GLN 32 H GLN 32 21.941 1.824 -24.404 258 HA GLN 32 HA GLN 32 23.056 0.691 -21.991 259 HB2 GLN 32 HB2 GLN 32 24.485 0.474 -24.430 260 HB3 GLN 32 HB3 GLN 32 25.296 1.698 -23.462 261 HG2 GLN 32 HG2 GLN 32 26.338 -0.331 -22.927 262 HG3 GLN 32 HG3 GLN 32 25.275 0.031 -21.567 263 HE21 GLN 32 HE21 GLN 32 24.738 -1.430 -24.755 264 HE22 GLN 32 HE22 GLN 32 24.013 -2.880 -24.158 265 H ASP 33 H ASP 33 24.871 2.362 -21.202 266 HA ASP 33 HA ASP 33 23.553 4.981 -21.298 267 HB2 ASP 33 HB2 ASP 33 25.432 3.726 -19.296 268 HB3 ASP 33 HB3 ASP 33 24.977 5.426 -19.242 269 H VAL 34 H VAL 34 24.408 6.444 -22.606 270 HA VAL 34 HA VAL 34 26.864 6.209 -23.917 271 HB VAL 34 HB VAL 34 25.126 7.628 -24.813 272 HG11 VAL 34 HG11 VAL 34 24.046 8.455 -22.873 273 HG12 VAL 34 HG12 VAL 34 25.523 9.230 -22.296 274 HG13 VAL 34 HG13 VAL 34 24.693 9.860 -23.720 275 HG21 VAL 34 HG21 VAL 34 26.498 9.229 -25.694 276 HG22 VAL 34 HG22 VAL 34 27.209 9.636 -24.131 277 HG23 VAL 34 HG23 VAL 34 27.710 8.169 -24.973 278 H LEU 35 H LEU 35 26.056 7.549 -20.813 279 HA LEU 35 HA LEU 35 28.329 9.166 -20.420 280 HB2 LEU 35 HB2 LEU 35 26.054 8.629 -19.015 281 HB3 LEU 35 HB3 LEU 35 27.276 7.814 -18.041 282 HG LEU 35 HG LEU 35 27.159 10.745 -18.741 283 HD11 LEU 35 HD11 LEU 35 27.387 10.024 -15.954 284 HD12 LEU 35 HD12 LEU 35 25.960 9.301 -16.694 285 HD13 LEU 35 HD13 LEU 35 26.199 11.047 -16.762 286 HD21 LEU 35 HD21 LEU 35 29.158 10.853 -17.183 287 HD22 LEU 35 HD22 LEU 35 29.452 10.206 -18.797 288 HD23 LEU 35 HD23 LEU 35 29.311 9.111 -17.421 289 H LEU 36 H LEU 36 27.983 5.791 -20.571 290 HA LEU 36 HA LEU 36 30.486 5.346 -19.102 291 HB2 LEU 36 HB2 LEU 36 28.264 3.511 -19.947 292 HB3 LEU 36 HB3 LEU 36 29.822 2.902 -19.393 293 HG LEU 36 HG LEU 36 29.399 4.207 -17.251 294 HD11 LEU 36 HD11 LEU 36 27.634 5.546 -17.187 295 HD12 LEU 36 HD12 LEU 36 26.598 4.121 -17.273 296 HD13 LEU 36 HD13 LEU 36 27.072 4.958 -18.752 297 HD21 LEU 36 HD21 LEU 36 27.985 2.442 -16.326 298 HD22 LEU 36 HD22 LEU 36 29.217 1.778 -17.399 299 HD23 LEU 36 HD23 LEU 36 27.551 1.928 -17.957 300 H GLN 37 H GLN 37 30.394 6.539 -21.752 301 HA GLN 37 HA GLN 37 31.591 4.416 -23.392 302 HB2 GLN 37 HB2 GLN 37 30.660 7.167 -24.232 303 HB3 GLN 37 HB3 GLN 37 31.244 5.898 -25.300 304 HG2 GLN 37 HG2 GLN 37 28.832 5.553 -23.547 305 HG3 GLN 37 HG3 GLN 37 28.743 6.222 -25.176 306 HE21 GLN 37 HE21 GLN 37 27.534 3.807 -24.166 307 HE22 GLN 37 HE22 GLN 37 28.159 2.505 -25.114 308 H TYR 38 H TYR 38 32.099 7.934 -23.195 309 HA TYR 38 HA TYR 38 34.820 7.639 -22.328 310 HB2 TYR 38 HB2 TYR 38 34.173 8.102 -25.201 311 HB3 TYR 38 HB3 TYR 38 35.531 8.984 -24.511 312 HD1 TYR 38 HD1 TYR 38 36.847 7.151 -22.766 313 HD2 TYR 38 HD2 TYR 38 34.947 6.354 -26.489 314 HE1 TYR 38 HE1 TYR 38 38.286 5.180 -23.071 315 HE2 TYR 38 HE2 TYR 38 36.380 4.380 -26.804 316 HH TYR 38 HH TYR 38 38.506 3.229 -24.273 317 HA PRO 39 HA PRO 39 34.200 11.747 -20.919 318 HB2 PRO 39 HB2 PRO 39 36.708 12.776 -21.056 319 HB3 PRO 39 HB3 PRO 39 36.226 11.576 -19.851 320 HG2 PRO 39 HG2 PRO 39 37.700 11.188 -22.428 321 HG3 PRO 39 HG3 PRO 39 38.013 10.463 -20.840 322 HD2 PRO 39 HD2 PRO 39 36.725 9.136 -22.818 323 HD3 PRO 39 HD3 PRO 39 36.364 8.874 -21.099 324 H GLU 40 H GLU 40 32.910 12.250 -22.883 325 HA GLU 40 HA GLU 40 33.772 14.652 -24.075 326 HB2 GLU 40 HB2 GLU 40 33.693 13.703 -26.483 327 HB3 GLU 40 HB3 GLU 40 35.174 13.527 -25.552 328 HG2 GLU 40 HG2 GLU 40 33.520 11.270 -25.050 329 HG3 GLU 40 HG3 GLU 40 33.626 11.519 -26.792 330 H LEU 41 H LEU 41 31.655 11.853 -24.218 331 HA LEU 41 HA LEU 41 29.492 13.547 -25.261 332 HB2 LEU 41 HB2 LEU 41 28.323 11.327 -25.586 333 HB3 LEU 41 HB3 LEU 41 29.715 11.651 -26.618 334 HG LEU 41 HG LEU 41 29.429 9.295 -25.620 335 HD11 LEU 41 HD11 LEU 41 31.687 10.872 -26.275 336 HD12 LEU 41 HD12 LEU 41 31.503 9.121 -26.374 337 HD13 LEU 41 HD13 LEU 41 32.116 9.861 -24.895 338 HD21 LEU 41 HD21 LEU 41 30.312 8.952 -23.413 339 HD22 LEU 41 HD22 LEU 41 28.986 10.111 -23.317 340 HD23 LEU 41 HD23 LEU 41 30.656 10.674 -23.236 341 H ALA 42 H ALA 42 30.682 12.834 -22.386 342 HA ALA 42 HA ALA 42 28.484 11.795 -20.932 343 HB1 ALA 42 HB1 ALA 42 30.761 11.710 -20.071 344 HB2 ALA 42 HB2 ALA 42 30.797 13.470 -19.963 345 HB3 ALA 42 HB3 ALA 42 29.693 12.547 -18.944 346 H GLU 43 H GLU 43 29.353 14.992 -22.005 347 HA GLU 43 HA GLU 43 27.601 16.404 -20.245 348 HB2 GLU 43 HB2 GLU 43 29.665 17.161 -21.823 349 HB3 GLU 43 HB3 GLU 43 28.311 17.640 -22.836 350 HG2 GLU 43 HG2 GLU 43 27.515 19.164 -21.266 351 HG3 GLU 43 HG3 GLU 43 28.442 18.437 -19.954 352 H SER 44 H SER 44 27.426 15.551 -23.698 353 HA SER 44 HA SER 44 24.892 16.604 -24.202 354 HB2 SER 44 HB2 SER 44 25.209 15.768 -26.274 355 HB3 SER 44 HB3 SER 44 26.800 15.285 -25.687 356 HG SER 44 HG SER 44 25.885 13.261 -25.126 357 H TYR 45 H TYR 45 25.860 13.647 -22.650 358 HA TYR 45 HA TYR 45 23.612 12.070 -22.892 359 HB2 TYR 45 HB2 TYR 45 25.529 11.168 -21.806 360 HB3 TYR 45 HB3 TYR 45 25.516 12.429 -20.578 361 HD1 TYR 45 HD1 TYR 45 22.720 10.306 -21.830 362 HD2 TYR 45 HD2 TYR 45 25.244 11.309 -18.556 363 HE1 TYR 45 HE1 TYR 45 21.382 8.855 -20.362 364 HE2 TYR 45 HE2 TYR 45 23.915 9.860 -17.079 365 HH TYR 45 HH TYR 45 22.358 8.182 -17.060 366 H THR 46 H THR 46 24.140 14.861 -20.830 367 HA THR 46 HA THR 46 21.781 14.529 -19.264 368 HB THR 46 HB THR 46 22.212 16.699 -18.372 369 HG1 THR 46 HG1 THR 46 23.942 17.983 -19.439 370 HG21 THR 46 HG21 THR 46 24.009 14.704 -18.207 371 HG22 THR 46 HG22 THR 46 24.190 16.240 -17.361 372 HG23 THR 46 HG23 THR 46 25.030 15.970 -18.887 373 H LYS 47 H LYS 47 22.536 16.146 -22.278 374 HA LYS 47 HA LYS 47 20.162 17.690 -22.451 375 HB2 LYS 47 HB2 LYS 47 22.027 18.335 -23.796 376 HB3 LYS 47 HB3 LYS 47 22.133 16.739 -24.528 377 HG2 LYS 47 HG2 LYS 47 19.600 18.228 -24.889 378 HG3 LYS 47 HG3 LYS 47 21.020 18.812 -25.759 379 HD2 LYS 47 HD2 LYS 47 20.774 15.934 -25.939 380 HD3 LYS 47 HD3 LYS 47 19.320 16.745 -26.525 381 HE2 LYS 47 HE2 LYS 47 22.061 17.608 -27.391 382 HE3 LYS 47 HE3 LYS 47 21.213 16.291 -28.199 383 HZ1 LYS 47 HZ1 LYS 47 19.492 18.510 -27.912 384 HZ2 LYS 47 HZ2 LYS 47 20.020 17.753 -29.330 385 HZ3 LYS 47 HZ3 LYS 47 20.929 19.008 -28.653 386 H VAL 48 H VAL 48 20.957 14.391 -23.233 387 HA VAL 48 HA VAL 48 18.390 14.010 -24.589 388 HB VAL 48 HB VAL 48 20.448 11.859 -24.188 389 HG11 VAL 48 HG11 VAL 48 19.275 10.686 -25.713 390 HG12 VAL 48 HG12 VAL 48 17.961 11.761 -25.233 391 HG13 VAL 48 HG13 VAL 48 18.904 12.112 -26.682 392 HG21 VAL 48 HG21 VAL 48 20.442 13.998 -26.313 393 HG22 VAL 48 HG22 VAL 48 21.702 13.679 -25.120 394 HG23 VAL 48 HG23 VAL 48 21.385 12.511 -26.403 395 H CYS 49 H CYS 49 18.808 14.422 -21.628 396 HA CYS 49 HA CYS 49 17.881 13.681 -19.690 397 HB2 CYS 49 HB2 CYS 49 16.224 12.499 -21.800 398 HB3 CYS 49 HB3 CYS 49 16.178 11.603 -20.286 399 HG CYS 49 HG CYS 49 14.711 13.258 -18.940 400 HA PRO 50 HA PRO 50 20.172 10.220 -18.277 401 HB2 PRO 50 HB2 PRO 50 18.631 9.273 -16.252 402 HB3 PRO 50 HB3 PRO 50 19.538 10.786 -16.142 403 HG2 PRO 50 HG2 PRO 50 16.638 10.356 -16.749 404 HG3 PRO 50 HG3 PRO 50 17.393 11.566 -15.695 405 HD2 PRO 50 HD2 PRO 50 16.552 12.141 -18.204 406 HD3 PRO 50 HD3 PRO 50 17.954 12.937 -17.461 407 H ASN 51 H ASN 51 19.480 9.233 -20.479 408 HA ASN 51 HA ASN 51 18.966 7.342 -21.635 409 HB2 ASN 51 HB2 ASN 51 18.456 6.093 -18.927 410 HB3 ASN 51 HB3 ASN 51 18.773 5.243 -20.436 411 HD21 ASN 51 HD21 ASN 51 20.862 6.573 -21.486 412 HD22 ASN 51 HD22 ASN 51 22.238 6.460 -20.447 413 H ARG 52 H ARG 52 17.176 6.448 -22.605 414 HA ARG 52 HA ARG 52 14.590 6.673 -21.270 415 HB2 ARG 52 HB2 ARG 52 14.977 7.788 -24.045 416 HB3 ARG 52 HB3 ARG 52 13.561 7.928 -23.011 417 HG2 ARG 52 HG2 ARG 52 15.214 9.173 -21.415 418 HG3 ARG 52 HG3 ARG 52 16.147 9.400 -22.896 419 HD2 ARG 52 HD2 ARG 52 13.357 9.975 -23.338 420 HD3 ARG 52 HD3 ARG 52 13.987 10.928 -21.995 421 HE ARG 52 HE ARG 52 15.293 12.105 -23.475 422 HH11 ARG 52 HH11 ARG 52 13.981 9.292 -25.052 423 HH12 ARG 52 HH12 ARG 52 14.491 9.781 -26.634 424 HH21 ARG 52 HH21 ARG 52 15.969 12.759 -25.553 425 HH22 ARG 52 HH22 ARG 52 15.622 11.753 -26.918 426 H CYS 53 H CYS 53 16.434 4.528 -22.249 427 HA CYS 53 HA CYS 53 14.860 3.295 -24.375 428 HB2 CYS 53 HB2 CYS 53 17.396 2.337 -23.031 429 HB3 CYS 53 HB3 CYS 53 16.639 1.608 -24.442 430 HG CYS 53 HG CYS 53 17.702 4.847 -24.509 431 H ASP 54 H ASP 54 16.350 1.928 -21.446 432 HA ASP 54 HA ASP 54 13.988 1.174 -20.160 433 HB2 ASP 54 HB2 ASP 54 14.816 -0.590 -22.343 434 HB3 ASP 54 HB3 ASP 54 14.635 -1.429 -20.805 435 H LEU 55 H LEU 55 16.827 -0.852 -20.847 436 HA LEU 55 HA LEU 55 17.329 -1.366 -18.110 437 HB2 LEU 55 HB2 LEU 55 19.363 -2.445 -18.870 438 HB3 LEU 55 HB3 LEU 55 17.994 -2.900 -19.883 439 HG LEU 55 HG LEU 55 19.278 -0.676 -21.097 440 HD11 LEU 55 HD11 LEU 55 21.488 -1.063 -21.074 441 HD12 LEU 55 HD12 LEU 55 21.288 -2.815 -21.040 442 HD13 LEU 55 HD13 LEU 55 21.143 -1.883 -19.550 443 HD21 LEU 55 HD21 LEU 55 19.303 -3.583 -21.893 444 HD22 LEU 55 HD22 LEU 55 19.502 -2.185 -22.949 445 HD23 LEU 55 HD23 LEU 55 17.950 -2.484 -22.166 446 H ALA 56 H ALA 56 18.517 1.030 -20.365 447 HA ALA 56 HA ALA 56 20.696 1.925 -18.759 448 HB1 ALA 56 HB1 ALA 56 19.236 3.371 -20.966 449 HB2 ALA 56 HB2 ALA 56 20.809 3.805 -20.297 450 HB3 ALA 56 HB3 ALA 56 20.614 2.292 -21.181 451 H THR 57 H THR 57 17.305 2.782 -19.024 452 HA THR 57 HA THR 57 17.503 5.160 -17.443 453 HB THR 57 HB THR 57 15.074 3.498 -18.144 454 HG1 THR 57 HG1 THR 57 16.413 4.657 -19.839 455 HG21 THR 57 HG21 THR 57 14.134 4.750 -16.518 456 HG22 THR 57 HG22 THR 57 14.166 6.021 -17.739 457 HG23 THR 57 HG23 THR 57 15.444 5.931 -16.527 458 H ALA 58 H ALA 58 16.636 1.794 -16.820 459 HA ALA 58 HA ALA 58 15.865 2.228 -14.105 460 HB1 ALA 58 HB1 ALA 58 16.355 -0.392 -14.126 461 HB2 ALA 58 HB2 ALA 58 14.896 0.309 -14.826 462 HB3 ALA 58 HB3 ALA 58 16.254 -0.119 -15.866 463 H ALA 59 H ALA 59 18.766 0.840 -15.634 464 HA ALA 59 HA ALA 59 20.186 0.360 -13.258 465 HB1 ALA 59 HB1 ALA 59 22.136 0.112 -14.647 466 HB2 ALA 59 HB2 ALA 59 20.750 -0.614 -15.463 467 HB3 ALA 59 HB3 ALA 59 21.346 0.965 -15.974 468 H ASP 60 H ASP 60 19.705 3.248 -15.137 469 HA ASP 60 HA ASP 60 21.876 4.733 -14.032 470 HB2 ASP 60 HB2 ASP 60 21.099 5.546 -16.092 471 HB3 ASP 60 HB3 ASP 60 19.412 5.464 -15.592 472 H ARG 61 H ARG 61 18.377 4.676 -13.393 473 HA ARG 61 HA ARG 61 18.258 6.609 -11.419 474 HB2 ARG 61 HB2 ARG 61 16.605 4.350 -12.269 475 HB3 ARG 61 HB3 ARG 61 16.435 4.727 -10.560 476 HG2 ARG 61 HG2 ARG 61 14.778 5.883 -11.944 477 HG3 ARG 61 HG3 ARG 61 15.832 7.008 -11.086 478 HD2 ARG 61 HD2 ARG 61 16.780 6.229 -13.751 479 HD3 ARG 61 HD3 ARG 61 15.260 7.123 -13.746 480 HE ARG 61 HE ARG 61 17.842 8.178 -13.255 481 HH11 ARG 61 HH11 ARG 61 14.523 8.451 -12.242 482 HH12 ARG 61 HH12 ARG 61 14.671 10.106 -11.754 483 HH21 ARG 61 HH21 ARG 61 18.050 10.358 -12.617 484 HH22 ARG 61 HH22 ARG 61 16.678 11.191 -11.969 485 H ALA 62 H ALA 62 19.221 3.234 -11.179 486 HA ALA 62 HA ALA 62 19.474 3.351 -8.298 487 HB1 ALA 62 HB1 ALA 62 19.200 1.301 -10.202 488 HB2 ALA 62 HB2 ALA 62 20.771 1.066 -9.435 489 HB3 ALA 62 HB3 ALA 62 19.312 1.144 -8.449 490 H ALA 63 H ALA 63 21.644 3.149 -11.100 491 HA ALA 63 HA ALA 63 24.074 2.971 -9.778 492 HB1 ALA 63 HB1 ALA 63 23.327 4.233 -12.400 493 HB2 ALA 63 HB2 ALA 63 24.995 4.153 -11.832 494 HB3 ALA 63 HB3 ALA 63 24.086 2.668 -12.109 495 H LYS 64 H LYS 64 22.101 5.807 -10.480 496 HA LYS 64 HA LYS 64 23.945 7.791 -9.776 497 HB2 LYS 64 HB2 LYS 64 20.934 7.706 -9.705 498 HB3 LYS 64 HB3 LYS 64 21.835 9.146 -9.250 499 HG2 LYS 64 HG2 LYS 64 22.024 7.774 -11.924 500 HG3 LYS 64 HG3 LYS 64 21.035 9.195 -11.579 501 HD2 LYS 64 HD2 LYS 64 24.038 9.020 -11.319 502 HD3 LYS 64 HD3 LYS 64 23.157 9.819 -12.623 503 HE2 LYS 64 HE2 LYS 64 22.055 11.194 -10.748 504 HE3 LYS 64 HE3 LYS 64 23.370 10.602 -9.734 505 HZ1 LYS 64 HZ1 LYS 64 23.530 12.826 -11.160 506 HZ2 LYS 64 HZ2 LYS 64 24.132 11.733 -12.303 507 HZ3 LYS 64 HZ3 LYS 64 24.880 11.874 -10.793 508 H GLY 65 H GLY 65 22.237 5.534 -7.837 509 HA2 GLY 65 HA2 GLY 65 23.222 5.272 -5.572 510 HA3 GLY 65 HA3 GLY 65 23.058 7.015 -5.413 511 H ALA 66 H ALA 66 20.529 5.344 -7.036 512 HA ALA 66 HA ALA 66 18.310 5.134 -6.547 513 HB1 ALA 66 HB1 ALA 66 19.160 3.204 -5.346 514 HB2 ALA 66 HB2 ALA 66 19.455 4.197 -3.919 515 HB3 ALA 66 HB3 ALA 66 17.804 3.920 -4.474 516 H TYR 67 H TYR 67 18.411 7.601 -6.609 517 HA TYR 67 HA TYR 67 18.461 9.253 -4.418 518 HB2 TYR 67 HB2 TYR 67 17.609 9.446 -7.119 519 HB3 TYR 67 HB3 TYR 67 16.331 10.127 -6.119 520 HD1 TYR 67 HD1 TYR 67 16.850 12.029 -4.590 521 HD2 TYR 67 HD2 TYR 67 19.668 10.589 -7.433 522 HE1 TYR 67 HE1 TYR 67 18.127 14.119 -4.373 523 HE2 TYR 67 HE2 TYR 67 20.954 12.675 -7.223 524 HH TYR 67 HH TYR 67 20.294 15.177 -6.494 525 H GLY 68 H GLY 68 17.490 8.783 -2.537 526 HA2 GLY 68 HA2 GLY 68 14.946 7.488 -2.364 527 HA3 GLY 68 HA3 GLY 68 15.855 8.179 -1.028 528 H TYR 69 H TYR 69 13.938 9.027 -0.130 529 HA TYR 69 HA TYR 69 12.293 10.565 0.217 530 HB2 TYR 69 HB2 TYR 69 14.490 12.060 -1.128 531 HB3 TYR 69 HB3 TYR 69 12.944 12.880 -0.935 532 HD1 TYR 69 HD1 TYR 69 11.942 12.289 1.605 533 HD2 TYR 69 HD2 TYR 69 16.024 12.677 0.469 534 HE1 TYR 69 HE1 TYR 69 12.528 12.856 3.926 535 HE2 TYR 69 HE2 TYR 69 16.622 13.244 2.786 536 HH TYR 69 HH TYR 69 15.887 13.286 4.920 537 H ASP 70 H ASP 70 10.690 9.468 -0.977 538 HA ASP 70 HA ASP 70 9.906 10.881 -3.422 539 HB2 ASP 70 HB2 ASP 70 11.018 8.393 -3.574 540 HB3 ASP 70 HB3 ASP 70 9.306 7.997 -3.444 541 H VAL 71 H VAL 71 7.900 11.611 -3.246 542 HA VAL 71 HA VAL 71 6.244 11.106 -1.046 543 HB VAL 71 HB VAL 71 5.652 12.301 -3.747 544 HG11 VAL 71 HG11 VAL 71 3.519 13.102 -2.701 545 HG12 VAL 71 HG12 VAL 71 3.575 11.371 -3.040 546 HG13 VAL 71 HG13 VAL 71 3.806 11.956 -1.392 547 HG21 VAL 71 HG21 VAL 71 5.852 13.536 -1.001 548 HG22 VAL 71 HG22 VAL 71 7.121 13.563 -2.225 549 HG23 VAL 71 HG23 VAL 71 5.593 14.393 -2.520 550 H GLN 72 H GLN 72 6.197 9.779 -4.329 551 HA GLN 72 HA GLN 72 4.800 7.435 -3.381 552 HB2 GLN 72 HB2 GLN 72 3.511 9.462 -5.166 553 HB3 GLN 72 HB3 GLN 72 3.132 7.758 -5.381 554 HG2 GLN 72 HG2 GLN 72 2.724 9.403 -2.896 555 HG3 GLN 72 HG3 GLN 72 1.479 8.771 -3.972 556 HE21 GLN 72 HE21 GLN 72 2.784 8.338 -1.066 557 HE22 GLN 72 HE22 GLN 72 2.566 6.637 -0.863 558 H LEU 73 H LEU 73 7.372 7.718 -4.365 559 HA LEU 73 HA LEU 73 8.839 6.903 -5.903 560 HB2 LEU 73 HB2 LEU 73 6.515 5.109 -6.587 561 HB3 LEU 73 HB3 LEU 73 8.202 4.824 -7.010 562 HG LEU 73 HG LEU 73 7.860 3.413 -5.203 563 HD11 LEU 73 HD11 LEU 73 9.394 4.119 -3.671 564 HD12 LEU 73 HD12 LEU 73 8.714 5.743 -3.569 565 HD13 LEU 73 HD13 LEU 73 9.702 5.287 -4.957 566 HD21 LEU 73 HD21 LEU 73 6.525 5.553 -3.578 567 HD22 LEU 73 HD22 LEU 73 6.503 3.805 -3.344 568 HD23 LEU 73 HD23 LEU 73 5.610 4.526 -4.683 569 H THR 74 H THR 74 7.641 9.212 -6.748 570 HA THR 74 HA THR 74 6.464 9.020 -9.324 571 HB THR 74 HB THR 74 7.913 11.384 -8.118 572 HG1 THR 74 HG1 THR 74 5.215 10.500 -7.931 573 HG21 THR 74 HG21 THR 74 7.577 12.228 -10.173 574 HG22 THR 74 HG22 THR 74 5.886 12.344 -9.689 575 HG23 THR 74 HG23 THR 74 6.445 10.950 -10.614 576 H THR 75 H THR 75 9.714 8.918 -8.187 577 HA THR 75 HA THR 75 11.099 9.839 -10.441 578 HB THR 75 HB THR 75 13.012 8.530 -9.617 579 HG1 THR 75 HG1 THR 75 11.023 7.389 -7.940 580 HG21 THR 75 HG21 THR 75 12.756 10.622 -8.551 581 HG22 THR 75 HG22 THR 75 13.017 9.463 -7.248 582 HG23 THR 75 HG23 THR 75 11.391 10.054 -7.590 583 H LEU 76 H LEU 76 10.148 6.525 -9.548 584 HA LEU 76 HA LEU 76 11.070 5.441 -12.045 585 HB2 LEU 76 HB2 LEU 76 9.703 4.380 -9.623 586 HB3 LEU 76 HB3 LEU 76 9.629 3.439 -11.111 587 HG LEU 76 HG LEU 76 11.433 2.768 -9.507 588 HD11 LEU 76 HD11 LEU 76 12.134 3.657 -12.293 589 HD12 LEU 76 HD12 LEU 76 11.638 2.054 -11.754 590 HD13 LEU 76 HD13 LEU 76 13.213 2.692 -11.285 591 HD21 LEU 76 HD21 LEU 76 12.598 5.427 -10.325 592 HD22 LEU 76 HD22 LEU 76 13.458 4.162 -9.448 593 HD23 LEU 76 HD23 LEU 76 12.074 4.964 -8.706 594 H LYS 77 H LYS 77 7.966 6.350 -10.644 595 HA LYS 77 HA LYS 77 6.312 5.280 -12.653 596 HB2 LYS 77 HB2 LYS 77 6.015 6.947 -10.332 597 HB3 LYS 77 HB3 LYS 77 5.095 7.634 -11.665 598 HG2 LYS 77 HG2 LYS 77 3.535 6.245 -10.746 599 HG3 LYS 77 HG3 LYS 77 4.252 5.169 -11.947 600 HD2 LYS 77 HD2 LYS 77 5.539 5.197 -9.289 601 HD3 LYS 77 HD3 LYS 77 3.917 4.505 -9.359 602 HE2 LYS 77 HE2 LYS 77 4.890 2.614 -10.029 603 HE3 LYS 77 HE3 LYS 77 5.188 3.427 -11.565 604 HZ1 LYS 77 HZ1 LYS 77 7.344 3.238 -11.176 605 HZ2 LYS 77 HZ2 LYS 77 7.057 2.532 -9.666 606 HZ3 LYS 77 HZ3 LYS 77 7.194 4.212 -9.801 607 H GLU 78 H GLU 78 8.030 8.336 -12.386 608 HA GLU 78 HA GLU 78 6.797 9.478 -14.718 609 HB2 GLU 78 HB2 GLU 78 7.663 10.858 -12.845 610 HB3 GLU 78 HB3 GLU 78 9.295 10.346 -13.254 611 HG2 GLU 78 HG2 GLU 78 8.239 11.322 -15.634 612 HG3 GLU 78 HG3 GLU 78 7.683 12.444 -14.394 613 H ASP 79 H ASP 79 9.717 7.688 -13.996 614 HA ASP 79 HA ASP 79 10.975 8.166 -16.519 615 HB2 ASP 79 HB2 ASP 79 11.528 6.565 -14.106 616 HB3 ASP 79 HB3 ASP 79 12.150 5.882 -15.605 617 H ILE 80 H ILE 80 9.230 5.399 -15.123 618 HA ILE 80 HA ILE 80 9.402 3.685 -17.311 619 HB ILE 80 HB ILE 80 8.595 2.928 -15.140 620 HG12 ILE 80 HG12 ILE 80 6.740 1.527 -15.910 621 HG13 ILE 80 HG13 ILE 80 6.482 2.599 -17.283 622 HG21 ILE 80 HG21 ILE 80 6.670 3.643 -14.106 623 HG22 ILE 80 HG22 ILE 80 7.205 5.128 -14.890 624 HG23 ILE 80 HG23 ILE 80 5.922 4.161 -15.617 625 HD11 ILE 80 HD11 ILE 80 8.579 1.976 -18.240 626 HD12 ILE 80 HD12 ILE 80 9.016 1.053 -16.802 627 HD13 ILE 80 HD13 ILE 80 7.691 0.508 -17.832 628 H ARG 81 H ARG 81 7.063 6.234 -16.594 629 HA ARG 81 HA ARG 81 5.394 5.671 -18.842 630 HB2 ARG 81 HB2 ARG 81 4.229 7.696 -18.272 631 HB3 ARG 81 HB3 ARG 81 4.617 6.843 -16.784 632 HG2 ARG 81 HG2 ARG 81 6.425 8.348 -16.321 633 HG3 ARG 81 HG3 ARG 81 6.224 9.134 -17.889 634 HD2 ARG 81 HD2 ARG 81 4.006 9.034 -15.867 635 HD3 ARG 81 HD3 ARG 81 5.235 10.299 -15.837 636 HE ARG 81 HE ARG 81 4.331 10.348 -18.394 637 HH11 ARG 81 HH11 ARG 81 2.781 10.512 -15.281 638 HH12 ARG 81 HH12 ARG 81 1.469 11.496 -15.840 639 HH21 ARG 81 HH21 ARG 81 2.609 11.644 -19.142 640 HH22 ARG 81 HH22 ARG 81 1.372 12.139 -18.037 641 H LEU 82 H LEU 82 8.177 7.705 -18.260 642 HA LEU 82 HA LEU 82 7.930 9.276 -20.622 643 HB2 LEU 82 HB2 LEU 82 9.265 9.819 -18.535 644 HB3 LEU 82 HB3 LEU 82 10.477 8.689 -19.136 645 HG LEU 82 HG LEU 82 10.950 11.115 -19.568 646 HD11 LEU 82 HD11 LEU 82 10.699 9.807 -22.218 647 HD12 LEU 82 HD12 LEU 82 11.644 8.982 -20.979 648 HD13 LEU 82 HD13 LEU 82 12.080 10.616 -21.477 649 HD21 LEU 82 HD21 LEU 82 8.375 11.336 -20.267 650 HD22 LEU 82 HD22 LEU 82 9.085 11.076 -21.860 651 HD23 LEU 82 HD23 LEU 82 9.631 12.423 -20.861 652 H MET 83 H MET 83 9.648 6.303 -19.804 653 HA MET 83 HA MET 83 11.096 6.077 -22.220 654 HB2 MET 83 HB2 MET 83 10.183 3.874 -20.361 655 HB3 MET 83 HB3 MET 83 11.453 3.747 -21.571 656 HG2 MET 83 HG2 MET 83 12.967 4.834 -20.301 657 HG3 MET 83 HG3 MET 83 11.761 5.895 -19.577 658 HE1 MET 83 HE1 MET 83 10.844 1.892 -19.071 659 HE2 MET 83 HE2 MET 83 12.237 2.241 -20.094 660 HE3 MET 83 HE3 MET 83 12.473 1.533 -18.496 661 H VAL 84 H VAL 84 8.095 4.477 -21.148 662 HA VAL 84 HA VAL 84 7.538 3.056 -23.459 663 HB VAL 84 HB VAL 84 6.253 2.690 -21.448 664 HG11 VAL 84 HG11 VAL 84 4.657 4.282 -20.589 665 HG12 VAL 84 HG12 VAL 84 6.247 5.042 -20.676 666 HG13 VAL 84 HG13 VAL 84 5.026 5.408 -21.894 667 HG21 VAL 84 HG21 VAL 84 4.301 2.154 -22.486 668 HG22 VAL 84 HG22 VAL 84 4.135 3.742 -23.234 669 HG23 VAL 84 HG23 VAL 84 5.253 2.560 -23.914 670 H ASN 85 H ASN 85 6.827 6.423 -22.678 671 HA ASN 85 HA ASN 85 5.212 6.960 -24.933 672 HB2 ASN 85 HB2 ASN 85 6.759 8.667 -23.008 673 HB3 ASN 85 HB3 ASN 85 6.007 9.392 -24.426 674 HD21 ASN 85 HD21 ASN 85 5.479 9.607 -21.497 675 HD22 ASN 85 HD22 ASN 85 3.792 9.274 -21.328 676 H ASN 86 H ASN 86 8.641 7.709 -24.303 677 HA ASN 86 HA ASN 86 9.253 8.793 -26.788 678 HB2 ASN 86 HB2 ASN 86 10.672 8.058 -24.462 679 HB3 ASN 86 HB3 ASN 86 11.485 7.262 -25.806 680 HD21 ASN 86 HD21 ASN 86 11.071 10.133 -24.105 681 HD22 ASN 86 HD22 ASN 86 11.930 11.184 -25.174 682 H CYS 87 H CYS 87 8.823 5.482 -25.832 683 HA CYS 87 HA CYS 87 10.165 4.257 -28.002 684 HB2 CYS 87 HB2 CYS 87 8.203 3.389 -25.939 685 HB3 CYS 87 HB3 CYS 87 8.382 2.374 -27.365 686 HG CYS 87 HG CYS 87 10.783 3.147 -25.062 687 H ILE 88 H ILE 88 6.656 4.576 -27.429 688 HA ILE 88 HA ILE 88 5.873 3.808 -30.004 689 HB ILE 88 HB ILE 88 4.229 3.786 -28.288 690 HG12 ILE 88 HG12 ILE 88 3.723 4.772 -30.734 691 HG13 ILE 88 HG13 ILE 88 2.468 4.556 -29.518 692 HG21 ILE 88 HG21 ILE 88 5.037 5.420 -26.773 693 HG22 ILE 88 HG22 ILE 88 4.852 6.710 -27.959 694 HG23 ILE 88 HG23 ILE 88 3.425 5.943 -27.262 695 HD11 ILE 88 HD11 ILE 88 2.367 6.820 -29.042 696 HD12 ILE 88 HD12 ILE 88 3.957 7.138 -29.737 697 HD13 ILE 88 HD13 ILE 88 2.588 6.778 -30.791 698 H LEU 89 H LEU 89 6.824 6.919 -28.705 699 HA LEU 89 HA LEU 89 5.938 8.449 -30.951 700 HB2 LEU 89 HB2 LEU 89 6.413 9.235 -28.551 701 HB3 LEU 89 HB3 LEU 89 8.103 9.279 -29.047 702 HG LEU 89 HG LEU 89 6.979 11.486 -29.122 703 HD11 LEU 89 HD11 LEU 89 8.210 12.150 -30.897 704 HD12 LEU 89 HD12 LEU 89 7.565 10.897 -31.957 705 HD13 LEU 89 HD13 LEU 89 8.824 10.500 -30.787 706 HD21 LEU 89 HD21 LEU 89 5.518 10.665 -31.577 707 HD22 LEU 89 HD22 LEU 89 5.165 11.954 -30.426 708 HD23 LEU 89 HD23 LEU 89 4.804 10.278 -30.011 709 H PHE 90 H PHE 90 9.263 7.898 -29.779 710 HA PHE 90 HA PHE 90 10.534 8.662 -32.140 711 HB2 PHE 90 HB2 PHE 90 11.432 8.075 -29.699 712 HB3 PHE 90 HB3 PHE 90 11.791 6.536 -30.475 713 HD1 PHE 90 HD1 PHE 90 12.632 7.281 -33.134 714 HD2 PHE 90 HD2 PHE 90 13.424 9.191 -29.413 715 HE1 PHE 90 HE1 PHE 90 14.700 8.234 -34.067 716 HE2 PHE 90 HE2 PHE 90 15.492 10.147 -30.340 717 HZ PHE 90 HZ PHE 90 16.132 9.670 -32.670 718 H ASN 91 H ASN 91 10.111 5.323 -30.950 719 HA ASN 91 HA ASN 91 9.122 4.244 -33.315 720 HB2 ASN 91 HB2 ASN 91 11.990 4.713 -33.353 721 HB3 ASN 91 HB3 ASN 91 11.609 3.007 -33.570 722 HD21 ASN 91 HD21 ASN 91 9.601 2.746 -35.096 723 HD22 ASN 91 HD22 ASN 91 9.730 3.610 -36.587 724 H GLY 92 H GLY 92 7.944 2.797 -32.207 725 HA2 GLY 92 HA2 GLY 92 9.340 0.594 -30.933 726 HA3 GLY 92 HA3 GLY 92 8.329 1.552 -29.861 727 H ALA 93 H ALA 93 6.030 1.824 -30.561 728 HA ALA 93 HA ALA 93 5.026 -0.764 -31.469 729 HB1 ALA 93 HB1 ALA 93 3.792 -0.346 -29.631 730 HB2 ALA 93 HB2 ALA 93 4.002 1.401 -29.756 731 HB3 ALA 93 HB3 ALA 93 2.803 0.583 -30.757 732 H GLU 94 H GLU 94 3.652 2.487 -31.880 733 HA GLU 94 HA GLU 94 2.685 3.508 -33.670 734 HB2 GLU 94 HB2 GLU 94 5.246 2.869 -34.402 735 HB3 GLU 94 HB3 GLU 94 4.310 2.139 -35.699 736 HG2 GLU 94 HG2 GLU 94 3.600 4.139 -36.508 737 HG3 GLU 94 HG3 GLU 94 3.645 4.921 -34.929 738 H GLY 95 H GLY 95 1.868 0.706 -32.853 739 HA2 GLY 95 HA2 GLY 95 -0.281 0.346 -34.549 740 HA3 GLY 95 HA3 GLY 95 1.011 -0.641 -35.216 741 H ALA 96 H ALA 96 2.112 -1.142 -32.499 742 HA ALA 96 HA ALA 96 0.038 -2.996 -31.522 743 HB1 ALA 96 HB1 ALA 96 2.113 -4.417 -30.847 744 HB2 ALA 96 HB2 ALA 96 1.515 -4.468 -32.506 745 HB3 ALA 96 HB3 ALA 96 2.926 -3.487 -32.106 746 H TYR 97 H TYR 97 -0.321 -0.989 -30.150 747 HA TYR 97 HA TYR 97 1.446 -0.021 -28.268 748 HB2 TYR 97 HB2 TYR 97 -0.474 0.727 -27.011 749 HB3 TYR 97 HB3 TYR 97 -0.829 0.889 -28.727 750 HD1 TYR 97 HD1 TYR 97 -1.623 -0.932 -25.650 751 HD2 TYR 97 HD2 TYR 97 -2.502 -0.510 -29.791 752 HE1 TYR 97 HE1 TYR 97 -3.672 -2.257 -25.344 753 HE2 TYR 97 HE2 TYR 97 -4.554 -1.833 -29.497 754 HH TYR 97 HH TYR 97 -6.030 -2.610 -27.898 755 H ALA 98 H ALA 98 -0.287 -3.040 -28.300 756 HA ALA 98 HA ALA 98 -0.199 -3.771 -25.626 757 HB1 ALA 98 HB1 ALA 98 0.383 -6.051 -27.258 758 HB2 ALA 98 HB2 ALA 98 -1.118 -5.621 -26.437 759 HB3 ALA 98 HB3 ALA 98 -0.802 -5.026 -28.067 760 H ASP 99 H ASP 99 2.364 -3.563 -27.952 761 HA ASP 99 HA ASP 99 4.238 -5.260 -26.701 762 HB2 ASP 99 HB2 ASP 99 4.636 -2.861 -28.498 763 HB3 ASP 99 HB3 ASP 99 5.929 -3.951 -28.006 764 H ALA 100 H ALA 100 3.400 -1.880 -26.237 765 HA ALA 100 HA ALA 100 5.580 -1.374 -24.426 766 HB1 ALA 100 HB1 ALA 100 3.543 0.579 -24.133 767 HB2 ALA 100 HB2 ALA 100 5.102 0.728 -24.944 768 HB3 ALA 100 HB3 ALA 100 3.686 0.189 -25.847 769 H ALA 101 H ALA 101 2.326 -2.525 -24.194 770 HA ALA 101 HA ALA 101 1.903 -1.905 -21.445 771 HB1 ALA 101 HB1 ALA 101 0.567 -3.909 -23.258 772 HB2 ALA 101 HB2 ALA 101 0.029 -3.526 -21.622 773 HB3 ALA 101 HB3 ALA 101 0.008 -2.281 -22.871 774 H ARG 102 H ARG 102 3.415 -4.538 -23.161 775 HA ARG 102 HA ARG 102 3.391 -6.469 -21.117 776 HB2 ARG 102 HB2 ARG 102 4.168 -6.503 -23.685 777 HB3 ARG 102 HB3 ARG 102 5.744 -6.345 -22.923 778 HG2 ARG 102 HG2 ARG 102 3.846 -8.438 -21.967 779 HG3 ARG 102 HG3 ARG 102 4.774 -8.697 -23.445 780 HD2 ARG 102 HD2 ARG 102 5.982 -7.955 -20.785 781 HD3 ARG 102 HD3 ARG 102 5.850 -9.606 -21.389 782 HE ARG 102 HE ARG 102 7.149 -8.054 -23.322 783 HH11 ARG 102 HH11 ARG 102 7.681 -9.294 -20.113 784 HH12 ARG 102 HH12 ARG 102 9.403 -9.371 -20.288 785 HH21 ARG 102 HH21 ARG 102 9.415 -8.152 -23.565 786 HH22 ARG 102 HH22 ARG 102 10.388 -8.721 -22.251 787 H THR 103 H THR 103 5.922 -4.139 -22.045 788 HA THR 103 HA THR 103 7.684 -4.793 -19.939 789 HB THR 103 HB THR 103 8.428 -3.593 -21.954 790 HG1 THR 103 HG1 THR 103 9.701 -2.014 -20.793 791 HG21 THR 103 HG21 THR 103 6.521 -2.140 -22.314 792 HG22 THR 103 HG22 THR 103 7.981 -1.166 -22.146 793 HG23 THR 103 HG23 THR 103 6.846 -1.292 -20.802 794 H PHE 104 H PHE 104 4.955 -2.627 -20.165 795 HA PHE 104 HA PHE 104 5.477 -1.041 -17.900 796 HB2 PHE 104 HB2 PHE 104 3.801 -0.400 -19.549 797 HB3 PHE 104 HB3 PHE 104 2.837 -1.819 -19.154 798 HD1 PHE 104 HD1 PHE 104 3.993 1.456 -17.950 799 HD2 PHE 104 HD2 PHE 104 1.420 -1.861 -17.241 800 HE1 PHE 104 HE1 PHE 104 2.799 2.753 -16.234 801 HE2 PHE 104 HE2 PHE 104 0.222 -0.568 -15.524 802 HZ PHE 104 HZ PHE 104 0.910 1.742 -15.019 803 H GLU 105 H GLU 105 3.461 -3.953 -18.267 804 HA GLU 105 HA GLU 105 2.630 -4.182 -15.622 805 HB2 GLU 105 HB2 GLU 105 2.875 -6.023 -17.929 806 HB3 GLU 105 HB3 GLU 105 2.767 -6.779 -16.345 807 HG2 GLU 105 HG2 GLU 105 0.602 -6.290 -16.126 808 HG3 GLU 105 HG3 GLU 105 0.804 -4.662 -16.772 809 H LYS 106 H LYS 106 5.556 -5.395 -17.193 810 HA LYS 106 HA LYS 106 6.577 -6.961 -15.146 811 HB2 LYS 106 HB2 LYS 106 7.512 -5.895 -17.602 812 HB3 LYS 106 HB3 LYS 106 8.725 -5.525 -16.383 813 HG2 LYS 106 HG2 LYS 106 7.603 -8.268 -16.912 814 HG3 LYS 106 HG3 LYS 106 9.133 -7.657 -17.547 815 HD2 LYS 106 HD2 LYS 106 10.144 -7.653 -15.463 816 HD3 LYS 106 HD3 LYS 106 8.603 -7.592 -14.604 817 HE2 LYS 106 HE2 LYS 106 8.641 -9.973 -16.139 818 HE3 LYS 106 HE3 LYS 106 10.183 -9.863 -15.290 819 HZ1 LYS 106 HZ1 LYS 106 7.825 -10.749 -14.240 820 HZ2 LYS 106 HZ2 LYS 106 7.973 -9.185 -13.610 821 HZ3 LYS 106 HZ3 LYS 106 9.205 -10.317 -13.362 822 H PHE 107 H PHE 107 7.083 -3.489 -15.730 823 HA PHE 107 HA PHE 107 8.801 -2.937 -13.635 824 HB2 PHE 107 HB2 PHE 107 6.951 -1.397 -15.312 825 HB3 PHE 107 HB3 PHE 107 7.236 -0.680 -13.729 826 HD1 PHE 107 HD1 PHE 107 9.158 -2.229 -16.527 827 HD2 PHE 107 HD2 PHE 107 8.995 0.776 -13.517 828 HE1 PHE 107 HE1 PHE 107 11.290 -1.306 -17.337 829 HE2 PHE 107 HE2 PHE 107 11.126 1.704 -14.323 830 HZ PHE 107 HZ PHE 107 12.277 0.663 -16.235 831 H ALA 108 H ALA 108 5.254 -2.991 -13.626 832 HA ALA 108 HA ALA 108 4.812 -2.126 -11.023 833 HB1 ALA 108 HB1 ALA 108 2.637 -3.035 -11.205 834 HB2 ALA 108 HB2 ALA 108 3.095 -2.528 -12.832 835 HB3 ALA 108 HB3 ALA 108 3.158 -4.234 -12.389 836 H MET 109 H MET 109 5.375 -5.418 -12.229 837 HA MET 109 HA MET 109 5.034 -6.773 -9.807 838 HB2 MET 109 HB2 MET 109 5.425 -7.615 -12.285 839 HB3 MET 109 HB3 MET 109 7.097 -7.711 -11.750 840 HG2 MET 109 HG2 MET 109 6.714 -9.479 -10.415 841 HG3 MET 109 HG3 MET 109 5.111 -8.916 -9.947 842 HE1 MET 109 HE1 MET 109 5.158 -11.721 -10.061 843 HE2 MET 109 HE2 MET 109 3.537 -11.057 -10.267 844 HE3 MET 109 HE3 MET 109 4.102 -12.348 -11.328 845 H GLY 110 H GLY 110 7.968 -5.401 -11.274 846 HA2 GLY 110 HA2 GLY 110 9.850 -6.246 -9.431 847 HA3 GLY 110 HA3 GLY 110 9.948 -4.734 -10.320 848 H LYS 111 H LYS 111 7.652 -3.488 -9.213 849 HA LYS 111 HA LYS 111 8.782 -2.365 -6.879 850 HB2 LYS 111 HB2 LYS 111 7.096 -1.346 -8.564 851 HB3 LYS 111 HB3 LYS 111 5.869 -2.135 -7.583 852 HG2 LYS 111 HG2 LYS 111 7.205 -0.889 -5.642 853 HG3 LYS 111 HG3 LYS 111 7.570 0.204 -6.979 854 HD2 LYS 111 HD2 LYS 111 5.356 0.792 -7.276 855 HD3 LYS 111 HD3 LYS 111 4.755 -0.693 -6.537 856 HE2 LYS 111 HE2 LYS 111 6.322 0.891 -4.682 857 HE3 LYS 111 HE3 LYS 111 4.958 1.798 -5.333 858 HZ1 LYS 111 HZ1 LYS 111 4.923 -0.138 -3.334 859 HZ2 LYS 111 HZ2 LYS 111 4.105 -0.794 -4.662 860 HZ3 LYS 111 HZ3 LYS 111 3.605 0.683 -4.006 861 H ILE 112 H ILE 112 6.268 -4.778 -7.405 862 HA ILE 112 HA ILE 112 5.220 -4.964 -4.844 863 HB ILE 112 HB ILE 112 5.677 -7.230 -6.789 864 HG12 ILE 112 HG12 ILE 112 3.201 -5.545 -6.377 865 HG13 ILE 112 HG13 ILE 112 4.375 -5.260 -7.657 866 HG21 ILE 112 HG21 ILE 112 3.870 -6.987 -4.391 867 HG22 ILE 112 HG22 ILE 112 3.745 -8.264 -5.600 868 HG23 ILE 112 HG23 ILE 112 5.203 -8.119 -4.618 869 HD11 ILE 112 HD11 ILE 112 2.266 -7.270 -7.447 870 HD12 ILE 112 HD12 ILE 112 3.025 -6.557 -8.870 871 HD13 ILE 112 HD13 ILE 112 3.814 -7.888 -8.023 872 H ASP 113 H ASP 113 7.972 -6.743 -6.233 873 HA ASP 113 HA ASP 113 8.607 -8.237 -3.951 874 HB2 ASP 113 HB2 ASP 113 10.115 -7.388 -6.390 875 HB3 ASP 113 HB3 ASP 113 11.000 -8.120 -5.055 876 H ALA 114 H ALA 114 9.968 -5.152 -5.095 877 HA ALA 114 HA ALA 114 11.756 -4.737 -2.993 878 HB1 ALA 114 HB1 ALA 114 10.972 -2.198 -3.703 879 HB2 ALA 114 HB2 ALA 114 12.243 -3.145 -4.479 880 HB3 ALA 114 HB3 ALA 114 10.610 -3.148 -5.145 881 H TYR 115 H TYR 115 8.341 -3.875 -3.304 882 HA TYR 115 HA TYR 115 8.016 -2.256 -1.097 883 HB2 TYR 115 HB2 TYR 115 6.202 -2.606 -2.645 884 HB3 TYR 115 HB3 TYR 115 6.129 -4.319 -2.246 885 HD1 TYR 115 HD1 TYR 115 5.820 -0.973 -0.614 886 HD2 TYR 115 HD2 TYR 115 4.552 -5.033 -0.711 887 HE1 TYR 115 HE1 TYR 115 4.154 -0.489 1.130 888 HE2 TYR 115 HE2 TYR 115 2.882 -4.561 1.032 889 HH TYR 115 HH TYR 115 1.602 -2.319 1.793 890 H ILE 116 H ILE 116 7.816 -5.804 -1.227 891 HA ILE 116 HA ILE 116 7.243 -6.231 1.479 892 HB ILE 116 HB ILE 116 8.790 -8.036 -0.385 893 HG12 ILE 116 HG12 ILE 116 5.840 -8.070 0.274 894 HG13 ILE 116 HG13 ILE 116 6.509 -7.320 -1.171 895 HG21 ILE 116 HG21 ILE 116 7.805 -8.333 2.377 896 HG22 ILE 116 HG22 ILE 116 7.495 -9.691 1.296 897 HG23 ILE 116 HG23 ILE 116 9.147 -9.131 1.556 898 HD11 ILE 116 HD11 ILE 116 6.165 -9.290 -2.138 899 HD12 ILE 116 HD12 ILE 116 7.586 -9.836 -1.247 900 HD13 ILE 116 HD13 ILE 116 5.972 -10.115 -0.592 901 H SER 117 H SER 117 10.325 -5.894 -0.211 902 HA SER 117 HA SER 117 11.995 -6.590 1.949 903 HB2 SER 117 HB2 SER 117 12.316 -5.356 -0.698 904 HB3 SER 117 HB3 SER 117 13.503 -4.817 0.490 905 HG SER 117 HG SER 117 14.453 -6.662 0.248 906 H GLN 118 H GLN 118 10.220 -3.723 1.216 907 HA GLN 118 HA GLN 118 11.456 -2.394 3.536 908 HB2 GLN 118 HB2 GLN 118 10.951 -0.223 2.388 909 HB3 GLN 118 HB3 GLN 118 12.193 -1.191 1.605 910 HG2 GLN 118 HG2 GLN 118 9.855 -2.005 0.381 911 HG3 GLN 118 HG3 GLN 118 9.642 -0.268 0.594 912 HE21 GLN 118 HE21 GLN 118 12.447 -2.317 -0.130 913 HE22 GLN 118 HE22 GLN 118 12.910 -1.472 -1.564 914 H LYS 119 H LYS 119 9.702 -3.505 4.689 915 HA LYS 119 HA LYS 119 7.385 -1.774 4.877 916 HB2 LYS 119 HB2 LYS 119 6.945 -3.697 3.182 917 HB3 LYS 119 HB3 LYS 119 6.854 -4.718 4.611 918 HG2 LYS 119 HG2 LYS 119 5.181 -2.810 5.393 919 HG3 LYS 119 HG3 LYS 119 4.993 -2.627 3.648 920 HD2 LYS 119 HD2 LYS 119 3.981 -4.646 3.409 921 HD3 LYS 119 HD3 LYS 119 4.913 -5.388 4.711 922 HE2 LYS 119 HE2 LYS 119 2.658 -3.421 5.094 923 HE3 LYS 119 HE3 LYS 119 2.509 -5.172 5.243 924 HZ1 LYS 119 HZ1 LYS 119 2.802 -4.403 7.411 925 HZ2 LYS 119 HZ2 LYS 119 4.014 -3.307 6.974 926 HZ3 LYS 119 HZ3 LYS 119 4.335 -4.968 6.974 927 H VAL 120 H VAL 120 9.782 -2.865 6.436 928 HA VAL 120 HA VAL 120 8.449 -4.149 8.690 929 HB VAL 120 HB VAL 120 10.621 -5.037 7.989 930 HG11 VAL 120 HG11 VAL 120 11.671 -2.310 8.734 931 HG12 VAL 120 HG12 VAL 120 12.669 -3.716 8.362 932 HG13 VAL 120 HG13 VAL 120 11.632 -3.016 7.119 933 HG21 VAL 120 HG21 VAL 120 9.777 -4.700 10.504 934 HG22 VAL 120 HG22 VAL 120 11.299 -5.497 10.104 935 HG23 VAL 120 HG23 VAL 120 11.293 -3.802 10.593 936 H GLY 121 H GLY 121 9.526 -1.043 7.689 937 HA2 GLY 121 HA2 GLY 121 8.270 0.498 9.496 938 HA3 GLY 121 HA3 GLY 121 9.717 0.030 10.377 939 H GLY 122 H GLY 122 9.463 0.678 6.911 940 HA2 GLY 122 HA2 GLY 122 10.746 3.271 7.225 941 HA3 GLY 122 HA3 GLY 122 11.719 2.028 6.451 942 H LEU 123 H LEU 123 8.345 1.821 5.916 943 HA LEU 123 HA LEU 123 7.965 3.584 3.797 944 HB2 LEU 123 HB2 LEU 123 9.628 1.363 3.129 945 HB3 LEU 123 HB3 LEU 123 8.099 1.208 2.267 946 HG LEU 123 HG LEU 123 9.737 3.729 2.181 947 HD11 LEU 123 HD11 LEU 123 9.832 1.737 -0.027 948 HD12 LEU 123 HD12 LEU 123 10.872 1.498 1.377 949 HD13 LEU 123 HD13 LEU 123 10.999 2.979 0.428 950 HD21 LEU 123 HD21 LEU 123 7.346 3.795 1.506 951 HD22 LEU 123 HD22 LEU 123 7.706 2.596 0.263 952 HD23 LEU 123 HD23 LEU 123 8.464 4.187 0.198 953 H GLU 124 H GLU 124 7.301 0.422 5.160 954 HA GLU 124 HA GLU 124 5.386 -0.796 5.381 955 HB2 GLU 124 HB2 GLU 124 4.325 2.024 5.482 956 HB3 GLU 124 HB3 GLU 124 3.301 0.621 5.754 957 HG2 GLU 124 HG2 GLU 124 3.863 0.740 7.889 958 HG3 GLU 124 HG3 GLU 124 5.479 0.214 7.420 Start of MODEL 5 1 H1 MET 1 H1 MET 1 1.496 -0.981 -2.203 2 HA MET 1 HA MET 1 0.119 1.446 -1.866 3 HB2 MET 1 HB2 MET 1 0.756 -0.865 -0.276 4 HB3 MET 1 HB3 MET 1 1.001 0.594 0.675 5 HG2 MET 1 HG2 MET 1 -1.409 1.054 -0.568 6 HG3 MET 1 HG3 MET 1 -1.458 -0.671 -0.209 7 HE1 MET 1 HE1 MET 1 -2.765 -1.032 2.786 8 HE2 MET 1 HE2 MET 1 -1.647 -1.719 1.608 9 HE3 MET 1 HE3 MET 1 -1.061 -1.232 3.199 10 H SER 2 H SER 2 3.363 0.456 -0.791 11 HA SER 2 HA SER 2 5.156 1.654 -0.052 12 HB2 SER 2 HB2 SER 2 4.526 4.109 -1.519 13 HB3 SER 2 HB3 SER 2 5.915 3.032 -1.669 14 HG SER 2 HG SER 2 4.095 1.622 -2.696 15 H GLN 3 H GLN 3 5.657 4.268 0.484 16 HA GLN 3 HA GLN 3 3.516 5.145 2.290 17 HB2 GLN 3 HB2 GLN 3 5.132 3.857 3.618 18 HB3 GLN 3 HB3 GLN 3 6.432 4.893 3.047 19 HG2 GLN 3 HG2 GLN 3 5.489 5.346 5.365 20 HG3 GLN 3 HG3 GLN 3 5.685 6.720 4.279 21 HE21 GLN 3 HE21 GLN 3 4.103 8.090 4.684 22 HE22 GLN 3 HE22 GLN 3 2.429 7.691 4.837 23 H ASN 4 H ASN 4 2.970 7.118 1.654 24 HA ASN 4 HA ASN 4 4.681 8.791 0.112 25 HB2 ASN 4 HB2 ASN 4 2.845 10.493 0.454 26 HB3 ASN 4 HB3 ASN 4 2.329 8.969 -0.264 27 HD21 ASN 4 HD21 ASN 4 1.669 11.228 2.060 28 HD22 ASN 4 HD22 ASN 4 0.619 10.294 3.065 29 H ARG 5 H ARG 5 6.537 8.968 1.486 30 HA ARG 5 HA ARG 5 6.601 11.344 2.998 31 HB2 ARG 5 HB2 ARG 5 5.426 9.854 4.633 32 HB3 ARG 5 HB3 ARG 5 6.856 8.831 4.655 33 HG2 ARG 5 HG2 ARG 5 8.095 11.017 5.303 34 HG3 ARG 5 HG3 ARG 5 6.483 11.583 5.745 35 HD2 ARG 5 HD2 ARG 5 7.154 8.902 6.729 36 HD3 ARG 5 HD3 ARG 5 8.156 10.196 7.386 37 HE ARG 5 HE ARG 5 5.439 10.934 7.517 38 HH11 ARG 5 HH11 ARG 5 7.736 8.770 8.987 39 HH12 ARG 5 HH12 ARG 5 6.912 8.720 10.510 40 HH21 ARG 5 HH21 ARG 5 4.344 10.876 9.517 41 HH22 ARG 5 HH22 ARG 5 4.982 9.918 10.810 42 H GLN 6 H GLN 6 8.269 8.244 3.530 43 HA GLN 6 HA GLN 6 10.692 9.413 2.349 44 HB2 GLN 6 HB2 GLN 6 12.024 8.958 4.166 45 HB3 GLN 6 HB3 GLN 6 10.517 9.366 4.976 46 HG2 GLN 6 HG2 GLN 6 11.568 6.603 4.419 47 HG3 GLN 6 HG3 GLN 6 11.488 7.411 5.984 48 HE21 GLN 6 HE21 GLN 6 10.209 4.950 4.629 49 HE22 GLN 6 HE22 GLN 6 8.547 5.077 5.084 50 H LEU 7 H LEU 7 12.234 7.873 1.572 51 HA LEU 7 HA LEU 7 11.032 5.245 0.997 52 HB2 LEU 7 HB2 LEU 7 12.541 7.175 -0.656 53 HB3 LEU 7 HB3 LEU 7 12.912 5.470 -0.907 54 HG LEU 7 HG LEU 7 11.149 6.605 -2.409 55 HD11 LEU 7 HD11 LEU 7 11.242 4.381 -2.815 56 HD12 LEU 7 HD12 LEU 7 9.667 4.418 -2.023 57 HD13 LEU 7 HD13 LEU 7 11.101 3.949 -1.110 58 HD21 LEU 7 HD21 LEU 7 9.991 7.453 -0.212 59 HD22 LEU 7 HD22 LEU 7 9.225 5.865 -0.258 60 HD23 LEU 7 HD23 LEU 7 9.031 6.978 -1.613 61 H LEU 8 H LEU 8 11.994 3.578 1.934 62 HA LEU 8 HA LEU 8 14.221 3.677 3.552 63 HB2 LEU 8 HB2 LEU 8 12.500 1.839 3.362 64 HB3 LEU 8 HB3 LEU 8 13.409 1.247 1.974 65 HG LEU 8 HG LEU 8 13.823 0.063 4.160 66 HD11 LEU 8 HD11 LEU 8 16.019 -0.387 3.611 67 HD12 LEU 8 HD12 LEU 8 16.362 1.283 3.162 68 HD13 LEU 8 HD13 LEU 8 15.389 0.267 2.099 69 HD21 LEU 8 HD21 LEU 8 13.857 2.313 5.415 70 HD22 LEU 8 HD22 LEU 8 15.531 2.420 4.871 71 HD23 LEU 8 HD23 LEU 8 15.018 1.070 5.883 72 H TYR 9 H TYR 9 14.222 2.016 0.397 73 HA TYR 9 HA TYR 9 16.470 3.341 -0.640 74 HB2 TYR 9 HB2 TYR 9 17.370 1.876 1.366 75 HB3 TYR 9 HB3 TYR 9 17.271 0.580 0.179 76 HD1 TYR 9 HD1 TYR 9 18.359 4.156 0.010 77 HD2 TYR 9 HD2 TYR 9 19.358 0.074 -0.653 78 HE1 TYR 9 HE1 TYR 9 20.532 4.844 -0.915 79 HE2 TYR 9 HE2 TYR 9 21.534 0.750 -1.579 80 HH TYR 9 HH TYR 9 22.997 3.381 -1.101 81 HA PRO 10 HA PRO 10 13.969 0.703 -3.519 82 HB2 PRO 10 HB2 PRO 10 13.512 2.693 -5.308 83 HB3 PRO 10 HB3 PRO 10 12.485 2.415 -3.897 84 HG2 PRO 10 HG2 PRO 10 14.683 4.412 -4.277 85 HG3 PRO 10 HG3 PRO 10 13.090 4.630 -3.529 86 HD2 PRO 10 HD2 PRO 10 15.347 4.282 -2.074 87 HD3 PRO 10 HD3 PRO 10 13.761 3.698 -1.530 88 H ARG 11 H ARG 11 15.247 -0.558 -4.711 89 HA ARG 11 HA ARG 11 16.608 0.303 -6.988 90 HB2 ARG 11 HB2 ARG 11 18.975 -0.207 -6.149 91 HB3 ARG 11 HB3 ARG 11 18.276 1.345 -5.706 92 HG2 ARG 11 HG2 ARG 11 18.368 0.886 -3.528 93 HG3 ARG 11 HG3 ARG 11 17.731 -0.744 -3.755 94 HD2 ARG 11 HD2 ARG 11 20.188 -1.056 -4.802 95 HD3 ARG 11 HD3 ARG 11 20.523 0.207 -3.617 96 HE ARG 11 HE ARG 11 19.022 -1.844 -2.408 97 HH11 ARG 11 HH11 ARG 11 22.206 -1.206 -3.662 98 HH12 ARG 11 HH12 ARG 11 22.990 -2.333 -2.606 99 HH21 ARG 11 HH21 ARG 11 20.042 -3.331 -1.012 100 HH22 ARG 11 HH22 ARG 11 21.758 -3.542 -1.099 101 H GLU 12 H GLU 12 16.377 -2.053 -4.398 102 HA GLU 12 HA GLU 12 17.593 -4.249 -5.557 103 HB2 GLU 12 HB2 GLU 12 16.090 -3.787 -3.284 104 HB3 GLU 12 HB3 GLU 12 15.106 -4.933 -4.185 105 HG2 GLU 12 HG2 GLU 12 16.746 -6.581 -4.125 106 HG3 GLU 12 HG3 GLU 12 18.021 -5.428 -3.732 107 H GLU 13 H GLU 13 14.534 -2.769 -6.301 108 HA GLU 13 HA GLU 13 13.622 -4.996 -7.909 109 HB2 GLU 13 HB2 GLU 13 11.732 -3.467 -8.474 110 HB3 GLU 13 HB3 GLU 13 11.936 -3.739 -6.750 111 HG2 GLU 13 HG2 GLU 13 11.932 -1.548 -6.471 112 HG3 GLU 13 HG3 GLU 13 13.476 -1.487 -7.320 113 H MET 14 H MET 14 15.071 -1.828 -8.389 114 HA MET 14 HA MET 14 14.707 -1.444 -11.088 115 HB2 MET 14 HB2 MET 14 16.653 -0.570 -9.083 116 HB3 MET 14 HB3 MET 14 17.303 -0.601 -10.717 117 HG2 MET 14 HG2 MET 14 16.450 1.454 -10.862 118 HG3 MET 14 HG3 MET 14 14.922 0.619 -11.131 119 HE1 MET 14 HE1 MET 14 15.893 3.758 -8.620 120 HE2 MET 14 HE2 MET 14 16.706 2.581 -7.588 121 HE3 MET 14 HE3 MET 14 17.111 2.678 -9.302 122 H VAL 15 H VAL 15 17.240 -3.354 -9.494 123 HA VAL 15 HA VAL 15 18.597 -4.114 -11.845 124 HB VAL 15 HB VAL 15 19.535 -5.966 -10.462 125 HG11 VAL 15 HG11 VAL 15 20.043 -3.967 -8.542 126 HG12 VAL 15 HG12 VAL 15 21.024 -4.402 -9.943 127 HG13 VAL 15 HG13 VAL 15 19.794 -3.144 -10.082 128 HG21 VAL 15 HG21 VAL 15 17.805 -4.817 -8.274 129 HG22 VAL 15 HG22 VAL 15 17.508 -6.347 -9.099 130 HG23 VAL 15 HG23 VAL 15 18.961 -6.140 -8.122 131 H SER 16 H SER 16 15.767 -5.369 -10.240 132 HA SER 16 HA SER 16 15.648 -7.927 -11.346 133 HB2 SER 16 HB2 SER 16 14.063 -6.490 -9.652 134 HB3 SER 16 HB3 SER 16 13.057 -6.540 -11.100 135 HG SER 16 HG SER 16 13.888 -8.608 -9.430 136 H LEU 17 H LEU 17 14.246 -4.889 -12.559 137 HA LEU 17 HA LEU 17 13.069 -5.914 -14.869 138 HB2 LEU 17 HB2 LEU 17 14.291 -3.186 -14.486 139 HB3 LEU 17 HB3 LEU 17 13.115 -3.634 -15.720 140 HG LEU 17 HG LEU 17 11.692 -2.658 -14.259 141 HD11 LEU 17 HD11 LEU 17 11.928 -5.245 -12.750 142 HD12 LEU 17 HD12 LEU 17 11.208 -5.143 -14.356 143 HD13 LEU 17 HD13 LEU 17 10.493 -4.253 -13.011 144 HD21 LEU 17 HD21 LEU 17 12.671 -1.728 -12.489 145 HD22 LEU 17 HD22 LEU 17 13.924 -2.968 -12.441 146 HD23 LEU 17 HD23 LEU 17 12.379 -3.244 -11.636 147 H VAL 18 H VAL 18 16.121 -4.068 -14.744 148 HA VAL 18 HA VAL 18 16.994 -4.556 -17.306 149 HB VAL 18 HB VAL 18 18.095 -3.007 -15.709 150 HG11 VAL 18 HG11 VAL 18 19.766 -3.884 -14.149 151 HG12 VAL 18 HG12 VAL 18 18.148 -4.471 -13.759 152 HG13 VAL 18 HG13 VAL 18 19.299 -5.531 -14.575 153 HG21 VAL 18 HG21 VAL 18 19.158 -4.172 -17.841 154 HG22 VAL 18 HG22 VAL 18 20.082 -3.065 -16.825 155 HG23 VAL 18 HG23 VAL 18 20.270 -4.808 -16.630 156 H ARG 19 H ARG 19 17.133 -6.661 -14.513 157 HA ARG 19 HA ARG 19 18.940 -8.557 -15.631 158 HB2 ARG 19 HB2 ARG 19 17.108 -8.491 -13.274 159 HB3 ARG 19 HB3 ARG 19 17.744 -10.043 -13.802 160 HG2 ARG 19 HG2 ARG 19 19.639 -7.784 -13.408 161 HG3 ARG 19 HG3 ARG 19 18.984 -8.610 -11.992 162 HD2 ARG 19 HD2 ARG 19 20.208 -10.124 -14.276 163 HD3 ARG 19 HD3 ARG 19 21.194 -9.465 -12.971 164 HE ARG 19 HE ARG 19 19.157 -10.911 -11.777 165 HH11 ARG 19 HH11 ARG 19 21.829 -11.520 -13.925 166 HH12 ARG 19 HH12 ARG 19 22.062 -13.149 -13.384 167 HH21 ARG 19 HH21 ARG 19 19.455 -13.055 -11.057 168 HH22 ARG 19 HH22 ARG 19 20.710 -14.022 -11.753 169 H SER 20 H SER 20 15.428 -8.253 -15.532 170 HA SER 20 HA SER 20 14.766 -10.783 -16.533 171 HB2 SER 20 HB2 SER 20 12.612 -10.001 -16.646 172 HB3 SER 20 HB3 SER 20 13.299 -8.746 -15.616 173 HG SER 20 HG SER 20 13.696 -7.575 -17.634 174 H LEU 21 H LEU 21 15.880 -7.887 -18.125 175 HA LEU 21 HA LEU 21 15.488 -9.146 -20.750 176 HB2 LEU 21 HB2 LEU 21 15.704 -6.987 -21.719 177 HB3 LEU 21 HB3 LEU 21 14.581 -6.859 -20.367 178 HG LEU 21 HG LEU 21 17.151 -6.230 -19.373 179 HD11 LEU 21 HD11 LEU 21 18.187 -4.907 -20.852 180 HD12 LEU 21 HD12 LEU 21 16.675 -4.225 -21.451 181 HD13 LEU 21 HD13 LEU 21 17.241 -5.782 -22.056 182 HD21 LEU 21 HD21 LEU 21 14.557 -4.842 -19.826 183 HD22 LEU 21 HD22 LEU 21 15.964 -3.885 -19.363 184 HD23 LEU 21 HD23 LEU 21 15.404 -5.191 -18.319 185 H ASP 22 H ASP 22 17.239 -8.894 -22.338 186 HA ASP 22 HA ASP 22 19.855 -8.164 -21.698 187 HB2 ASP 22 HB2 ASP 22 19.275 -10.391 -20.280 188 HB3 ASP 22 HB3 ASP 22 19.861 -11.124 -21.771 189 H ARG 23 H ARG 23 18.462 -7.658 -23.888 190 HA ARG 23 HA ARG 23 19.660 -9.405 -25.936 191 HB2 ARG 23 HB2 ARG 23 17.684 -8.625 -27.381 192 HB3 ARG 23 HB3 ARG 23 17.365 -9.832 -26.143 193 HG2 ARG 23 HG2 ARG 23 17.016 -7.196 -25.065 194 HG3 ARG 23 HG3 ARG 23 16.055 -7.396 -26.532 195 HD2 ARG 23 HD2 ARG 23 14.927 -8.047 -24.366 196 HD3 ARG 23 HD3 ARG 23 14.911 -9.261 -25.644 197 HE ARG 23 HE ARG 23 17.150 -9.715 -24.034 198 HH11 ARG 23 HH11 ARG 23 13.676 -9.842 -23.834 199 HH12 ARG 23 HH12 ARG 23 13.661 -11.094 -22.636 200 HH21 ARG 23 HH21 ARG 23 17.143 -11.363 -22.457 201 HH22 ARG 23 HH22 ARG 23 15.633 -11.958 -21.853 202 HA PRO 24 HA PRO 24 21.161 -5.000 -26.358 203 HB2 PRO 24 HB2 PRO 24 23.799 -5.635 -26.445 204 HB3 PRO 24 HB3 PRO 24 22.933 -5.337 -24.934 205 HG2 PRO 24 HG2 PRO 24 23.645 -7.941 -26.227 206 HG3 PRO 24 HG3 PRO 24 23.747 -7.475 -24.519 207 HD2 PRO 24 HD2 PRO 24 21.715 -8.970 -25.502 208 HD3 PRO 24 HD3 PRO 24 21.499 -7.831 -24.157 209 H GLN 25 H GLN 25 20.191 -5.113 -28.460 210 HA GLN 25 HA GLN 25 21.564 -6.493 -30.588 211 HB2 GLN 25 HB2 GLN 25 19.113 -4.784 -30.397 212 HB3 GLN 25 HB3 GLN 25 19.836 -5.088 -31.971 213 HG2 GLN 25 HG2 GLN 25 19.585 -7.543 -30.511 214 HG3 GLN 25 HG3 GLN 25 18.036 -6.703 -30.570 215 HE21 GLN 25 HE21 GLN 25 20.765 -7.264 -32.776 216 HE22 GLN 25 HE22 GLN 25 19.796 -7.758 -34.119 217 H GLU 26 H GLU 26 20.926 -3.088 -29.761 218 HA GLU 26 HA GLU 26 22.655 -2.112 -31.833 219 HB2 GLU 26 HB2 GLU 26 20.790 -0.993 -29.910 220 HB3 GLU 26 HB3 GLU 26 22.262 -0.038 -30.013 221 HG2 GLU 26 HG2 GLU 26 21.057 -0.852 -32.576 222 HG3 GLU 26 HG3 GLU 26 20.148 0.313 -31.616 223 H ASN 27 H ASN 27 22.830 -2.243 -28.283 224 HA ASN 27 HA ASN 27 24.576 -2.031 -26.834 225 HB2 ASN 27 HB2 ASN 27 25.117 -4.147 -28.238 226 HB3 ASN 27 HB3 ASN 27 26.360 -3.145 -28.982 227 HD21 ASN 27 HD21 ASN 27 25.187 -4.383 -25.904 228 HD22 ASN 27 HD22 ASN 27 26.718 -4.362 -25.104 229 H GLY 28 H GLY 28 24.167 0.367 -27.610 230 HA2 GLY 28 HA2 GLY 28 26.769 1.570 -27.758 231 HA3 GLY 28 HA3 GLY 28 25.847 1.787 -29.238 232 H LEU 29 H LEU 29 23.276 1.998 -27.995 233 HA LEU 29 HA LEU 29 23.263 4.027 -26.014 234 HB2 LEU 29 HB2 LEU 29 24.103 5.188 -28.148 235 HB3 LEU 29 HB3 LEU 29 22.447 5.016 -28.726 236 HG LEU 29 HG LEU 29 22.957 6.352 -26.103 237 HD11 LEU 29 HD11 LEU 29 22.813 8.135 -28.421 238 HD12 LEU 29 HD12 LEU 29 24.313 7.216 -28.295 239 HD13 LEU 29 HD13 LEU 29 23.794 8.244 -26.959 240 HD21 LEU 29 HD21 LEU 29 20.744 5.903 -27.867 241 HD22 LEU 29 HD22 LEU 29 21.009 7.636 -27.669 242 HD23 LEU 29 HD23 LEU 29 20.759 6.615 -26.252 243 H PHE 30 H PHE 30 21.599 2.487 -28.709 244 HA PHE 30 HA PHE 30 18.968 3.127 -27.872 245 HB2 PHE 30 HB2 PHE 30 20.216 1.376 -29.888 246 HB3 PHE 30 HB3 PHE 30 18.644 0.834 -29.309 247 HD1 PHE 30 HD1 PHE 30 20.322 3.942 -30.508 248 HD2 PHE 30 HD2 PHE 30 16.769 1.600 -30.389 249 HE1 PHE 30 HE1 PHE 30 19.221 5.541 -32.021 250 HE2 PHE 30 HE2 PHE 30 15.664 3.195 -31.902 251 HZ PHE 30 HZ PHE 30 16.890 5.167 -32.720 252 H SER 31 H SER 31 21.275 1.034 -26.598 253 HA SER 31 HA SER 31 19.328 -0.092 -24.767 254 HB2 SER 31 HB2 SER 31 21.186 -2.068 -26.032 255 HB3 SER 31 HB3 SER 31 19.623 -2.336 -25.260 256 HG SER 31 HG SER 31 20.044 -2.206 -27.797 257 H GLN 32 H GLN 32 21.681 1.730 -24.751 258 HA GLN 32 HA GLN 32 22.935 0.638 -22.399 259 HB2 GLN 32 HB2 GLN 32 24.196 0.261 -24.904 260 HB3 GLN 32 HB3 GLN 32 25.102 1.510 -24.062 261 HG2 GLN 32 HG2 GLN 32 26.102 -0.022 -22.830 262 HG3 GLN 32 HG3 GLN 32 24.543 -0.569 -22.216 263 HE21 GLN 32 HE21 GLN 32 23.357 -1.694 -24.329 264 HE22 GLN 32 HE22 GLN 32 24.274 -3.035 -24.916 265 H ASP 33 H ASP 33 24.846 2.270 -21.784 266 HA ASP 33 HA ASP 33 23.619 4.932 -21.916 267 HB2 ASP 33 HB2 ASP 33 25.465 3.607 -19.944 268 HB3 ASP 33 HB3 ASP 33 25.276 5.358 -19.976 269 H VAL 34 H VAL 34 24.459 6.320 -23.310 270 HA VAL 34 HA VAL 34 26.793 5.949 -24.778 271 HB VAL 34 HB VAL 34 25.069 7.478 -25.529 272 HG11 VAL 34 HG11 VAL 34 24.238 8.407 -23.518 273 HG12 VAL 34 HG12 VAL 34 25.818 9.059 -23.081 274 HG13 VAL 34 HG13 VAL 34 24.921 9.751 -24.433 275 HG21 VAL 34 HG21 VAL 34 26.454 9.050 -26.505 276 HG22 VAL 34 HG22 VAL 34 27.423 9.255 -25.046 277 HG23 VAL 34 HG23 VAL 34 27.604 7.801 -26.028 278 H LEU 35 H LEU 35 26.367 7.131 -21.579 279 HA LEU 35 HA LEU 35 28.696 8.712 -21.345 280 HB2 LEU 35 HB2 LEU 35 26.826 8.776 -19.752 281 HB3 LEU 35 HB3 LEU 35 27.238 7.147 -19.219 282 HG LEU 35 HG LEU 35 27.960 9.167 -17.780 283 HD11 LEU 35 HD11 LEU 35 29.148 6.617 -18.328 284 HD12 LEU 35 HD12 LEU 35 29.029 7.491 -16.801 285 HD13 LEU 35 HD13 LEU 35 30.395 7.780 -17.878 286 HD21 LEU 35 HD21 LEU 35 29.036 10.142 -19.997 287 HD22 LEU 35 HD22 LEU 35 30.416 9.189 -19.449 288 HD23 LEU 35 HD23 LEU 35 29.740 10.443 -18.408 289 H LEU 36 H LEU 36 28.182 5.306 -21.409 290 HA LEU 36 HA LEU 36 30.806 4.735 -20.268 291 HB2 LEU 36 HB2 LEU 36 28.488 3.028 -21.114 292 HB3 LEU 36 HB3 LEU 36 30.066 2.331 -20.754 293 HG LEU 36 HG LEU 36 28.697 2.074 -18.824 294 HD11 LEU 36 HD11 LEU 36 30.039 3.072 -17.178 295 HD12 LEU 36 HD12 LEU 36 30.410 4.460 -18.200 296 HD13 LEU 36 HD13 LEU 36 31.096 2.880 -18.577 297 HD21 LEU 36 HD21 LEU 36 27.459 4.404 -19.674 298 HD22 LEU 36 HD22 LEU 36 28.244 4.857 -18.160 299 HD23 LEU 36 HD23 LEU 36 27.111 3.505 -18.196 300 H GLN 37 H GLN 37 30.365 6.086 -22.906 301 HA GLN 37 HA GLN 37 31.578 4.112 -24.707 302 HB2 GLN 37 HB2 GLN 37 30.454 6.838 -25.369 303 HB3 GLN 37 HB3 GLN 37 30.992 5.623 -26.520 304 HG2 GLN 37 HG2 GLN 37 28.679 5.316 -24.618 305 HG3 GLN 37 HG3 GLN 37 28.553 5.724 -26.329 306 HE21 GLN 37 HE21 GLN 37 27.345 3.496 -25.085 307 HE22 GLN 37 HE22 GLN 37 28.029 2.067 -25.775 308 H TYR 38 H TYR 38 31.905 7.642 -24.360 309 HA TYR 38 HA TYR 38 34.774 7.353 -23.947 310 HB2 TYR 38 HB2 TYR 38 33.729 7.865 -26.508 311 HB3 TYR 38 HB3 TYR 38 34.345 9.408 -25.927 312 HD1 TYR 38 HD1 TYR 38 35.380 5.819 -26.102 313 HD2 TYR 38 HD2 TYR 38 36.565 9.899 -26.320 314 HE1 TYR 38 HE1 TYR 38 37.665 5.118 -26.685 315 HE2 TYR 38 HE2 TYR 38 38.852 9.210 -26.905 316 HH TYR 38 HH TYR 38 39.886 7.037 -28.043 317 HA PRO 39 HA PRO 39 34.079 10.785 -21.281 318 HB2 PRO 39 HB2 PRO 39 36.629 11.691 -21.071 319 HB3 PRO 39 HB3 PRO 39 36.066 10.214 -20.279 320 HG2 PRO 39 HG2 PRO 39 37.595 10.528 -22.833 321 HG3 PRO 39 HG3 PRO 39 37.834 9.358 -21.522 322 HD2 PRO 39 HD2 PRO 39 36.551 8.728 -23.822 323 HD3 PRO 39 HD3 PRO 39 36.131 7.992 -22.262 324 H GLU 40 H GLU 40 32.892 11.829 -23.145 325 HA GLU 40 HA GLU 40 33.942 14.445 -23.568 326 HB2 GLU 40 HB2 GLU 40 33.916 14.347 -26.061 327 HB3 GLU 40 HB3 GLU 40 35.210 13.410 -25.326 328 HG2 GLU 40 HG2 GLU 40 33.436 11.467 -25.521 329 HG3 GLU 40 HG3 GLU 40 32.806 12.498 -26.805 330 H LEU 41 H LEU 41 31.577 12.000 -24.500 331 HA LEU 41 HA LEU 41 29.575 14.078 -24.980 332 HB2 LEU 41 HB2 LEU 41 28.166 12.115 -25.704 333 HB3 LEU 41 HB3 LEU 41 29.583 12.469 -26.691 334 HG LEU 41 HG LEU 41 28.989 10.008 -26.109 335 HD11 LEU 41 HD11 LEU 41 31.279 11.295 -26.885 336 HD12 LEU 41 HD12 LEU 41 31.045 9.548 -26.845 337 HD13 LEU 41 HD13 LEU 41 31.815 10.365 -25.485 338 HD21 LEU 41 HD21 LEU 41 28.770 10.388 -23.690 339 HD22 LEU 41 HD22 LEU 41 30.476 10.828 -23.615 340 HD23 LEU 41 HD23 LEU 41 30.008 9.188 -24.065 341 H ALA 42 H ALA 42 30.628 13.333 -22.296 342 HA ALA 42 HA ALA 42 28.528 11.933 -20.938 343 HB1 ALA 42 HB1 ALA 42 30.751 13.628 -19.806 344 HB2 ALA 42 HB2 ALA 42 29.724 12.516 -18.900 345 HB3 ALA 42 HB3 ALA 42 30.835 11.894 -20.120 346 H GLU 43 H GLU 43 29.470 15.328 -21.300 347 HA GLU 43 HA GLU 43 27.617 16.446 -19.530 348 HB2 GLU 43 HB2 GLU 43 29.409 17.385 -21.600 349 HB3 GLU 43 HB3 GLU 43 27.894 18.276 -21.632 350 HG2 GLU 43 HG2 GLU 43 28.173 19.050 -19.439 351 HG3 GLU 43 HG3 GLU 43 29.434 17.868 -19.093 352 H SER 44 H SER 44 27.357 15.878 -23.031 353 HA SER 44 HA SER 44 24.754 16.891 -23.332 354 HB2 SER 44 HB2 SER 44 24.990 16.291 -25.506 355 HB3 SER 44 HB3 SER 44 26.659 15.952 -25.046 356 HG SER 44 HG SER 44 26.124 13.796 -24.793 357 H TYR 45 H TYR 45 25.940 13.656 -22.562 358 HA TYR 45 HA TYR 45 23.637 12.169 -22.803 359 HB2 TYR 45 HB2 TYR 45 25.667 11.046 -22.276 360 HB3 TYR 45 HB3 TYR 45 25.887 11.981 -20.801 361 HD1 TYR 45 HD1 TYR 45 23.304 9.728 -22.307 362 HD2 TYR 45 HD2 TYR 45 25.462 10.879 -18.826 363 HE1 TYR 45 HE1 TYR 45 22.169 7.962 -21.027 364 HE2 TYR 45 HE2 TYR 45 24.334 9.115 -17.536 365 HH TYR 45 HH TYR 45 22.889 7.435 -17.587 366 H THR 46 H THR 46 24.600 14.313 -20.178 367 HA THR 46 HA THR 46 22.441 13.619 -18.448 368 HB THR 46 HB THR 46 23.139 15.399 -17.046 369 HG1 THR 46 HG1 THR 46 24.062 17.196 -17.784 370 HG21 THR 46 HG21 THR 46 25.800 14.844 -18.224 371 HG22 THR 46 HG22 THR 46 24.837 13.447 -17.743 372 HG23 THR 46 HG23 THR 46 25.244 14.689 -16.558 373 H LYS 47 H LYS 47 22.968 16.118 -20.876 374 HA LYS 47 HA LYS 47 20.711 17.695 -20.322 375 HB2 LYS 47 HB2 LYS 47 22.448 18.555 -21.741 376 HB3 LYS 47 HB3 LYS 47 22.240 17.236 -22.885 377 HG2 LYS 47 HG2 LYS 47 19.893 18.964 -22.352 378 HG3 LYS 47 HG3 LYS 47 21.222 19.646 -23.293 379 HD2 LYS 47 HD2 LYS 47 20.812 18.318 -25.074 380 HD3 LYS 47 HD3 LYS 47 20.375 16.933 -24.070 381 HE2 LYS 47 HE2 LYS 47 18.196 17.399 -24.214 382 HE3 LYS 47 HE3 LYS 47 18.458 19.106 -23.859 383 HZ1 LYS 47 HZ1 LYS 47 17.519 18.899 -26.031 384 HZ2 LYS 47 HZ2 LYS 47 18.701 17.785 -26.506 385 HZ3 LYS 47 HZ3 LYS 47 19.128 19.393 -26.204 386 H VAL 48 H VAL 48 20.981 14.578 -21.676 387 HA VAL 48 HA VAL 48 18.215 14.726 -22.684 388 HB VAL 48 HB VAL 48 20.164 12.569 -23.447 389 HG11 VAL 48 HG11 VAL 48 17.430 13.201 -24.044 390 HG12 VAL 48 HG12 VAL 48 18.391 13.213 -25.524 391 HG13 VAL 48 HG13 VAL 48 18.372 11.780 -24.495 392 HG21 VAL 48 HG21 VAL 48 19.755 15.211 -24.846 393 HG22 VAL 48 HG22 VAL 48 21.225 14.676 -24.032 394 HG23 VAL 48 HG23 VAL 48 20.670 13.846 -25.485 395 H CYS 49 H CYS 49 19.082 14.281 -19.914 396 HA CYS 49 HA CYS 49 18.516 12.982 -18.136 397 HB2 CYS 49 HB2 CYS 49 16.558 12.275 -20.216 398 HB3 CYS 49 HB3 CYS 49 16.768 11.049 -18.971 399 HG CYS 49 HG CYS 49 16.262 14.261 -18.004 400 HA PRO 50 HA PRO 50 21.052 9.406 -18.109 401 HB2 PRO 50 HB2 PRO 50 19.856 7.826 -16.252 402 HB3 PRO 50 HB3 PRO 50 20.735 9.302 -15.835 403 HG2 PRO 50 HG2 PRO 50 17.788 8.874 -16.134 404 HG3 PRO 50 HG3 PRO 50 18.666 9.782 -14.889 405 HD2 PRO 50 HD2 PRO 50 17.443 10.989 -16.983 406 HD3 PRO 50 HD3 PRO 50 18.923 11.631 -16.242 407 H ASN 51 H ASN 51 19.870 9.135 -20.387 408 HA ASN 51 HA ASN 51 19.200 7.640 -21.965 409 HB2 ASN 51 HB2 ASN 51 20.561 6.121 -20.098 410 HB3 ASN 51 HB3 ASN 51 19.025 5.275 -20.255 411 HD21 ASN 51 HD21 ASN 51 21.283 6.942 -22.432 412 HD22 ASN 51 HD22 ASN 51 21.347 5.677 -23.606 413 H ARG 52 H ARG 52 17.295 6.757 -22.764 414 HA ARG 52 HA ARG 52 15.044 6.613 -20.871 415 HB2 ARG 52 HB2 ARG 52 14.952 7.791 -23.655 416 HB3 ARG 52 HB3 ARG 52 13.598 7.655 -22.541 417 HG2 ARG 52 HG2 ARG 52 14.121 9.781 -22.056 418 HG3 ARG 52 HG3 ARG 52 15.336 9.037 -21.015 419 HD2 ARG 52 HD2 ARG 52 16.308 10.808 -22.385 420 HD3 ARG 52 HD3 ARG 52 16.993 9.235 -22.792 421 HE ARG 52 HE ARG 52 16.061 9.399 -24.885 422 HH11 ARG 52 HH11 ARG 52 14.712 11.848 -22.811 423 HH12 ARG 52 HH12 ARG 52 13.908 12.682 -24.099 424 HH21 ARG 52 HH21 ARG 52 15.008 10.488 -26.591 425 HH22 ARG 52 HH22 ARG 52 14.076 11.907 -26.249 426 H CYS 53 H CYS 53 16.785 4.552 -22.130 427 HA CYS 53 HA CYS 53 15.071 3.206 -24.031 428 HB2 CYS 53 HB2 CYS 53 17.663 2.359 -22.724 429 HB3 CYS 53 HB3 CYS 53 16.825 1.438 -23.967 430 HG CYS 53 HG CYS 53 17.002 4.032 -25.568 431 H ASP 54 H ASP 54 16.645 1.844 -21.155 432 HA ASP 54 HA ASP 54 14.377 1.271 -19.659 433 HB2 ASP 54 HB2 ASP 54 14.740 -0.497 -21.942 434 HB3 ASP 54 HB3 ASP 54 14.740 -1.381 -20.419 435 H LEU 55 H LEU 55 16.896 -1.034 -20.644 436 HA LEU 55 HA LEU 55 17.618 -1.741 -18.038 437 HB2 LEU 55 HB2 LEU 55 19.666 -2.678 -19.079 438 HB3 LEU 55 HB3 LEU 55 18.166 -3.178 -19.859 439 HG LEU 55 HG LEU 55 19.413 -0.832 -21.088 440 HD11 LEU 55 HD11 LEU 55 21.044 -3.146 -20.458 441 HD12 LEU 55 HD12 LEU 55 21.509 -1.578 -21.117 442 HD13 LEU 55 HD13 LEU 55 20.937 -2.852 -22.194 443 HD21 LEU 55 HD21 LEU 55 18.828 -3.414 -22.456 444 HD22 LEU 55 HD22 LEU 55 18.605 -1.759 -23.023 445 HD23 LEU 55 HD23 LEU 55 17.487 -2.445 -21.844 446 H ALA 56 H ALA 56 18.842 0.769 -20.174 447 HA ALA 56 HA ALA 56 21.009 1.486 -18.415 448 HB1 ALA 56 HB1 ALA 56 21.674 2.101 -20.476 449 HB2 ALA 56 HB2 ALA 56 20.025 2.343 -21.053 450 HB3 ALA 56 HB3 ALA 56 20.815 3.592 -20.091 451 H THR 57 H THR 57 17.702 2.441 -18.906 452 HA THR 57 HA THR 57 17.912 4.914 -17.455 453 HB THR 57 HB THR 57 15.445 3.341 -18.223 454 HG1 THR 57 HG1 THR 57 16.939 4.257 -19.919 455 HG21 THR 57 HG21 THR 57 15.822 6.145 -17.181 456 HG22 THR 57 HG22 THR 57 14.871 4.845 -16.463 457 HG23 THR 57 HG23 THR 57 14.344 5.595 -17.970 458 H ALA 58 H ALA 58 16.995 1.602 -16.731 459 HA ALA 58 HA ALA 58 16.026 2.216 -14.093 460 HB1 ALA 58 HB1 ALA 58 16.144 -0.345 -13.878 461 HB2 ALA 58 HB2 ALA 58 14.997 0.348 -15.025 462 HB3 ALA 58 HB3 ALA 58 16.522 -0.325 -15.601 463 H ALA 59 H ALA 59 18.907 0.584 -15.402 464 HA ALA 59 HA ALA 59 20.169 0.086 -12.953 465 HB1 ALA 59 HB1 ALA 59 22.094 -0.437 -14.185 466 HB2 ALA 59 HB2 ALA 59 20.752 -0.830 -15.260 467 HB3 ALA 59 HB3 ALA 59 21.660 0.663 -15.494 468 H ASP 60 H ASP 60 20.149 2.929 -15.021 469 HA ASP 60 HA ASP 60 22.239 4.311 -13.682 470 HB2 ASP 60 HB2 ASP 60 21.505 4.865 -15.977 471 HB3 ASP 60 HB3 ASP 60 19.968 5.436 -15.334 472 H ARG 61 H ARG 61 18.711 4.348 -13.384 473 HA ARG 61 HA ARG 61 18.404 6.440 -11.602 474 HB2 ARG 61 HB2 ARG 61 16.825 4.222 -12.526 475 HB3 ARG 61 HB3 ARG 61 16.587 4.434 -10.797 476 HG2 ARG 61 HG2 ARG 61 14.944 5.676 -12.109 477 HG3 ARG 61 HG3 ARG 61 15.956 6.749 -11.139 478 HD2 ARG 61 HD2 ARG 61 16.922 6.188 -13.866 479 HD3 ARG 61 HD3 ARG 61 15.431 7.123 -13.760 480 HE ARG 61 HE ARG 61 18.071 8.005 -13.090 481 HH11 ARG 61 HH11 ARG 61 14.683 8.434 -12.413 482 HH12 ARG 61 HH12 ARG 61 14.867 10.066 -11.861 483 HH21 ARG 61 HH21 ARG 61 18.326 10.152 -12.365 484 HH22 ARG 61 HH22 ARG 61 16.939 11.043 -11.835 485 H ALA 62 H ALA 62 19.238 3.067 -10.952 486 HA ALA 62 HA ALA 62 19.331 3.505 -8.092 487 HB1 ALA 62 HB1 ALA 62 20.513 1.046 -9.204 488 HB2 ALA 62 HB2 ALA 62 19.362 1.260 -7.884 489 HB3 ALA 62 HB3 ALA 62 18.805 1.308 -9.557 490 H ALA 63 H ALA 63 21.618 3.018 -10.745 491 HA ALA 63 HA ALA 63 23.974 2.807 -9.285 492 HB1 ALA 63 HB1 ALA 63 25.009 3.881 -11.389 493 HB2 ALA 63 HB2 ALA 63 24.172 2.337 -11.552 494 HB3 ALA 63 HB3 ALA 63 23.368 3.831 -12.033 495 H LYS 64 H LYS 64 22.135 5.654 -10.223 496 HA LYS 64 HA LYS 64 24.049 7.606 -9.575 497 HB2 LYS 64 HB2 LYS 64 21.041 7.648 -9.699 498 HB3 LYS 64 HB3 LYS 64 21.964 9.076 -9.249 499 HG2 LYS 64 HG2 LYS 64 22.284 7.564 -11.833 500 HG3 LYS 64 HG3 LYS 64 21.335 9.038 -11.629 501 HD2 LYS 64 HD2 LYS 64 24.303 8.755 -11.153 502 HD3 LYS 64 HD3 LYS 64 23.544 9.532 -12.545 503 HE2 LYS 64 HE2 LYS 64 22.408 11.070 -10.870 504 HE3 LYS 64 HE3 LYS 64 23.526 10.420 -9.672 505 HZ1 LYS 64 HZ1 LYS 64 23.984 12.477 -11.483 506 HZ2 LYS 64 HZ2 LYS 64 24.959 11.184 -11.972 507 HZ3 LYS 64 HZ3 LYS 64 25.085 11.791 -10.398 508 H GLY 65 H GLY 65 22.234 5.515 -7.590 509 HA2 GLY 65 HA2 GLY 65 23.135 5.454 -5.258 510 HA3 GLY 65 HA3 GLY 65 22.849 7.187 -5.232 511 H ALA 66 H ALA 66 20.467 5.513 -6.947 512 HA ALA 66 HA ALA 66 18.236 5.232 -6.561 513 HB1 ALA 66 HB1 ALA 66 19.421 4.097 -4.039 514 HB2 ALA 66 HB2 ALA 66 17.706 3.982 -4.435 515 HB3 ALA 66 HB3 ALA 66 18.907 3.231 -5.486 516 H TYR 67 H TYR 67 18.356 7.718 -6.462 517 HA TYR 67 HA TYR 67 18.242 9.202 -4.148 518 HB2 TYR 67 HB2 TYR 67 17.795 9.684 -6.844 519 HB3 TYR 67 HB3 TYR 67 16.261 10.100 -6.088 520 HD1 TYR 67 HD1 TYR 67 16.751 11.423 -3.697 521 HD2 TYR 67 HD2 TYR 67 19.160 11.497 -7.204 522 HE1 TYR 67 HE1 TYR 67 17.676 13.596 -3.009 523 HE2 TYR 67 HE2 TYR 67 20.092 13.669 -6.525 524 HH TYR 67 HH TYR 67 20.382 14.871 -4.100 525 H GLY 68 H GLY 68 17.114 8.579 -2.400 526 HA2 GLY 68 HA2 GLY 68 14.549 7.323 -2.556 527 HA3 GLY 68 HA3 GLY 68 15.351 7.873 -1.092 528 H TYR 69 H TYR 69 13.494 8.767 -0.206 529 HA TYR 69 HA TYR 69 11.919 10.354 0.211 530 HB2 TYR 69 HB2 TYR 69 14.114 11.720 -0.115 531 HB3 TYR 69 HB3 TYR 69 13.374 12.227 -1.630 532 HD1 TYR 69 HD1 TYR 69 11.998 11.715 1.809 533 HD2 TYR 69 HD2 TYR 69 12.631 14.403 -1.428 534 HE1 TYR 69 HE1 TYR 69 10.739 13.451 3.013 535 HE2 TYR 69 HE2 TYR 69 11.375 16.147 -0.233 536 HH TYR 69 HH TYR 69 9.873 16.475 1.498 537 H ASP 70 H ASP 70 10.295 9.203 -0.930 538 HA ASP 70 HA ASP 70 9.376 10.623 -3.321 539 HB2 ASP 70 HB2 ASP 70 10.538 8.130 -3.513 540 HB3 ASP 70 HB3 ASP 70 8.821 7.749 -3.424 541 H VAL 71 H VAL 71 7.265 11.094 -3.270 542 HA VAL 71 HA VAL 71 5.730 10.382 -0.946 543 HB VAL 71 HB VAL 71 5.609 12.631 -2.023 544 HG11 VAL 71 HG11 VAL 71 4.680 13.003 -4.091 545 HG12 VAL 71 HG12 VAL 71 5.502 11.467 -4.370 546 HG13 VAL 71 HG13 VAL 71 3.764 11.497 -4.072 547 HG21 VAL 71 HG21 VAL 71 3.161 12.852 -1.806 548 HG22 VAL 71 HG22 VAL 71 3.023 11.094 -1.797 549 HG23 VAL 71 HG23 VAL 71 3.873 11.919 -0.491 550 H GLN 72 H GLN 72 6.089 9.164 -4.135 551 HA GLN 72 HA GLN 72 4.420 6.933 -3.627 552 HB2 GLN 72 HB2 GLN 72 2.950 9.097 -4.389 553 HB3 GLN 72 HB3 GLN 72 3.288 8.354 -5.947 554 HG2 GLN 72 HG2 GLN 72 2.112 6.867 -3.614 555 HG3 GLN 72 HG3 GLN 72 1.149 7.649 -4.867 556 HE21 GLN 72 HE21 GLN 72 3.757 5.299 -4.426 557 HE22 GLN 72 HE22 GLN 72 3.298 4.279 -5.742 558 H LEU 73 H LEU 73 7.076 7.325 -4.445 559 HA LEU 73 HA LEU 73 8.619 6.685 -5.996 560 HB2 LEU 73 HB2 LEU 73 6.386 4.830 -6.810 561 HB3 LEU 73 HB3 LEU 73 8.088 4.639 -7.227 562 HG LEU 73 HG LEU 73 7.776 3.123 -5.496 563 HD11 LEU 73 HD11 LEU 73 8.563 5.429 -3.783 564 HD12 LEU 73 HD12 LEU 73 9.578 4.995 -5.157 565 HD13 LEU 73 HD13 LEU 73 9.258 3.812 -3.890 566 HD21 LEU 73 HD21 LEU 73 6.319 3.301 -3.737 567 HD22 LEU 73 HD22 LEU 73 5.497 4.302 -4.934 568 HD23 LEU 73 HD23 LEU 73 6.452 5.059 -3.659 569 H THR 74 H THR 74 7.340 8.979 -6.762 570 HA THR 74 HA THR 74 6.235 8.864 -9.374 571 HB THR 74 HB THR 74 7.604 11.266 -8.167 572 HG1 THR 74 HG1 THR 74 5.948 11.504 -6.845 573 HG21 THR 74 HG21 THR 74 5.564 12.312 -9.432 574 HG22 THR 74 HG22 THR 74 5.600 10.798 -10.334 575 HG23 THR 74 HG23 THR 74 7.015 11.852 -10.321 576 H THR 75 H THR 75 9.474 8.944 -8.146 577 HA THR 75 HA THR 75 10.835 9.970 -10.369 578 HB THR 75 HB THR 75 12.819 8.778 -9.508 579 HG1 THR 75 HG1 THR 75 11.200 7.768 -7.417 580 HG21 THR 75 HG21 THR 75 12.101 9.634 -6.938 581 HG22 THR 75 HG22 THR 75 11.180 10.646 -8.050 582 HG23 THR 75 HG23 THR 75 12.937 10.566 -8.180 583 H LEU 76 H LEU 76 10.100 6.595 -9.502 584 HA LEU 76 HA LEU 76 11.188 5.550 -11.934 585 HB2 LEU 76 HB2 LEU 76 10.769 4.437 -9.580 586 HB3 LEU 76 HB3 LEU 76 9.217 4.025 -10.305 587 HG LEU 76 HG LEU 76 10.909 3.166 -12.234 588 HD11 LEU 76 HD11 LEU 76 12.314 2.521 -9.652 589 HD12 LEU 76 HD12 LEU 76 12.846 3.781 -10.765 590 HD13 LEU 76 HD13 LEU 76 12.809 2.098 -11.291 591 HD21 LEU 76 HD21 LEU 76 9.295 1.669 -11.620 592 HD22 LEU 76 HD22 LEU 76 9.599 1.877 -9.895 593 HD23 LEU 76 HD23 LEU 76 10.704 0.912 -10.875 594 H LYS 77 H LYS 77 7.928 6.224 -10.732 595 HA LYS 77 HA LYS 77 6.498 5.151 -12.894 596 HB2 LYS 77 HB2 LYS 77 5.885 6.491 -10.518 597 HB3 LYS 77 HB3 LYS 77 5.229 7.513 -11.790 598 HG2 LYS 77 HG2 LYS 77 3.535 5.987 -11.057 599 HG3 LYS 77 HG3 LYS 77 4.029 5.550 -12.694 600 HD2 LYS 77 HD2 LYS 77 3.817 3.542 -11.388 601 HD3 LYS 77 HD3 LYS 77 5.528 3.823 -11.721 602 HE2 LYS 77 HE2 LYS 77 4.766 5.132 -9.282 603 HE3 LYS 77 HE3 LYS 77 4.297 3.434 -9.226 604 HZ1 LYS 77 HZ1 LYS 77 6.433 3.298 -8.489 605 HZ2 LYS 77 HZ2 LYS 77 6.969 4.620 -9.399 606 HZ3 LYS 77 HZ3 LYS 77 6.715 3.126 -10.148 607 H GLU 78 H GLU 78 8.067 8.253 -12.442 608 HA GLU 78 HA GLU 78 6.907 9.465 -14.765 609 HB2 GLU 78 HB2 GLU 78 7.718 10.794 -12.849 610 HB3 GLU 78 HB3 GLU 78 9.360 10.265 -13.189 611 HG2 GLU 78 HG2 GLU 78 9.156 11.335 -15.434 612 HG3 GLU 78 HG3 GLU 78 7.609 11.998 -14.912 613 H ASP 79 H ASP 79 9.780 7.605 -14.070 614 HA ASP 79 HA ASP 79 11.124 8.199 -16.521 615 HB2 ASP 79 HB2 ASP 79 11.608 6.570 -14.154 616 HB3 ASP 79 HB3 ASP 79 12.123 5.764 -15.633 617 H ILE 80 H ILE 80 9.248 5.413 -15.352 618 HA ILE 80 HA ILE 80 9.456 3.824 -17.634 619 HB ILE 80 HB ILE 80 8.568 2.917 -15.579 620 HG12 ILE 80 HG12 ILE 80 6.602 1.728 -16.459 621 HG13 ILE 80 HG13 ILE 80 6.459 2.915 -17.751 622 HG21 ILE 80 HG21 ILE 80 6.115 4.614 -16.002 623 HG22 ILE 80 HG22 ILE 80 6.457 3.544 -14.644 624 HG23 ILE 80 HG23 ILE 80 7.410 5.010 -14.872 625 HD11 ILE 80 HD11 ILE 80 7.493 0.864 -18.537 626 HD12 ILE 80 HD12 ILE 80 8.617 2.219 -18.636 627 HD13 ILE 80 HD13 ILE 80 8.772 1.037 -17.335 628 H ARG 81 H ARG 81 7.136 6.368 -16.825 629 HA ARG 81 HA ARG 81 5.533 5.993 -19.154 630 HB2 ARG 81 HB2 ARG 81 4.431 8.050 -18.508 631 HB3 ARG 81 HB3 ARG 81 4.690 7.053 -17.083 632 HG2 ARG 81 HG2 ARG 81 6.573 8.415 -16.424 633 HG3 ARG 81 HG3 ARG 81 6.428 9.371 -17.900 634 HD2 ARG 81 HD2 ARG 81 4.411 9.179 -15.667 635 HD3 ARG 81 HD3 ARG 81 5.435 10.563 -16.044 636 HE ARG 81 HE ARG 81 4.067 10.184 -18.338 637 HH11 ARG 81 HH11 ARG 81 3.090 10.490 -15.011 638 HH12 ARG 81 HH12 ARG 81 1.558 11.204 -15.390 639 HH21 ARG 81 HH21 ARG 81 2.052 11.124 -18.851 640 HH22 ARG 81 HH22 ARG 81 0.968 11.564 -17.575 641 H LEU 82 H LEU 82 8.347 7.915 -18.372 642 HA LEU 82 HA LEU 82 8.221 9.650 -20.616 643 HB2 LEU 82 HB2 LEU 82 9.545 10.010 -18.508 644 HB3 LEU 82 HB3 LEU 82 10.690 8.813 -19.110 645 HG LEU 82 HG LEU 82 11.320 11.244 -19.421 646 HD11 LEU 82 HD11 LEU 82 11.193 9.948 -22.093 647 HD12 LEU 82 HD12 LEU 82 12.042 9.113 -20.792 648 HD13 LEU 82 HD13 LEU 82 12.546 10.732 -21.277 649 HD21 LEU 82 HD21 LEU 82 10.287 12.535 -21.092 650 HD22 LEU 82 HD22 LEU 82 8.962 11.867 -20.139 651 HD23 LEU 82 HD23 LEU 82 9.367 11.160 -21.703 652 H MET 83 H MET 83 9.845 6.567 -20.007 653 HA MET 83 HA MET 83 11.268 6.462 -22.444 654 HB2 MET 83 HB2 MET 83 10.338 4.255 -20.602 655 HB3 MET 83 HB3 MET 83 11.427 4.011 -21.961 656 HG2 MET 83 HG2 MET 83 13.075 5.456 -20.946 657 HG3 MET 83 HG3 MET 83 11.974 5.818 -19.619 658 HE1 MET 83 HE1 MET 83 11.411 3.412 -17.584 659 HE2 MET 83 HE2 MET 83 13.060 3.734 -17.047 660 HE3 MET 83 HE3 MET 83 12.072 5.044 -17.692 661 H VAL 84 H VAL 84 8.230 4.877 -21.456 662 HA VAL 84 HA VAL 84 7.627 3.639 -23.866 663 HB VAL 84 HB VAL 84 6.383 3.181 -21.816 664 HG11 VAL 84 HG11 VAL 84 4.672 4.736 -21.008 665 HG12 VAL 84 HG12 VAL 84 6.285 5.448 -20.922 666 HG13 VAL 84 HG13 VAL 84 5.179 5.919 -22.213 667 HG21 VAL 84 HG21 VAL 84 5.292 3.487 -24.401 668 HG22 VAL 84 HG22 VAL 84 4.758 2.405 -23.115 669 HG23 VAL 84 HG23 VAL 84 4.062 4.019 -23.255 670 H ASN 85 H ASN 85 7.162 6.966 -22.866 671 HA ASN 85 HA ASN 85 5.420 7.751 -24.945 672 HB2 ASN 85 HB2 ASN 85 7.183 9.161 -22.997 673 HB3 ASN 85 HB3 ASN 85 6.600 10.072 -24.387 674 HD21 ASN 85 HD21 ASN 85 6.017 10.145 -21.439 675 HD22 ASN 85 HD22 ASN 85 4.293 10.095 -21.342 676 H ASN 86 H ASN 86 8.953 7.959 -24.615 677 HA ASN 86 HA ASN 86 9.307 9.052 -27.241 678 HB2 ASN 86 HB2 ASN 86 10.857 8.986 -24.998 679 HB3 ASN 86 HB3 ASN 86 11.622 7.736 -25.975 680 HD21 ASN 86 HD21 ASN 86 10.397 11.051 -26.208 681 HD22 ASN 86 HD22 ASN 86 11.638 11.618 -27.268 682 H CYS 87 H CYS 87 8.924 5.907 -25.951 683 HA CYS 87 HA CYS 87 10.386 4.401 -27.831 684 HB2 CYS 87 HB2 CYS 87 8.275 3.868 -25.832 685 HB3 CYS 87 HB3 CYS 87 8.369 2.716 -27.159 686 HG CYS 87 HG CYS 87 11.065 3.529 -25.219 687 H ILE 88 H ILE 88 6.837 4.711 -27.664 688 HA ILE 88 HA ILE 88 6.430 3.814 -30.311 689 HB ILE 88 HB ILE 88 4.124 4.587 -30.052 690 HG12 ILE 88 HG12 ILE 88 3.821 5.474 -27.492 691 HG13 ILE 88 HG13 ILE 88 5.359 6.213 -27.924 692 HG21 ILE 88 HG21 ILE 88 5.429 2.665 -28.523 693 HG22 ILE 88 HG22 ILE 88 4.385 3.514 -27.385 694 HG23 ILE 88 HG23 ILE 88 3.697 2.777 -28.832 695 HD11 ILE 88 HD11 ILE 88 3.693 7.788 -28.441 696 HD12 ILE 88 HD12 ILE 88 4.209 7.102 -29.982 697 HD13 ILE 88 HD13 ILE 88 2.693 6.579 -29.247 698 H LEU 89 H LEU 89 6.993 6.968 -28.930 699 HA LEU 89 HA LEU 89 6.123 8.493 -31.164 700 HB2 LEU 89 HB2 LEU 89 6.315 9.480 -28.962 701 HB3 LEU 89 HB3 LEU 89 8.047 9.158 -28.942 702 HG LEU 89 HG LEU 89 7.651 10.717 -31.214 703 HD11 LEU 89 HD11 LEU 89 6.263 12.108 -28.957 704 HD12 LEU 89 HD12 LEU 89 5.356 11.134 -30.114 705 HD13 LEU 89 HD13 LEU 89 6.295 12.518 -30.672 706 HD21 LEU 89 HD21 LEU 89 8.863 12.416 -29.924 707 HD22 LEU 89 HD22 LEU 89 9.565 10.811 -29.720 708 HD23 LEU 89 HD23 LEU 89 8.559 11.502 -28.446 709 H PHE 90 H PHE 90 9.438 7.915 -29.973 710 HA PHE 90 HA PHE 90 10.678 8.803 -32.350 711 HB2 PHE 90 HB2 PHE 90 11.590 8.349 -29.874 712 HB3 PHE 90 HB3 PHE 90 12.094 6.838 -30.625 713 HD1 PHE 90 HD1 PHE 90 12.059 10.429 -31.651 714 HD2 PHE 90 HD2 PHE 90 14.298 6.834 -31.228 715 HE1 PHE 90 HE1 PHE 90 14.038 11.557 -32.580 716 HE2 PHE 90 HE2 PHE 90 16.281 7.956 -32.155 717 HZ PHE 90 HZ PHE 90 16.153 10.320 -32.834 718 H ASN 91 H ASN 91 10.475 5.488 -31.041 719 HA ASN 91 HA ASN 91 9.606 4.267 -33.390 720 HB2 ASN 91 HB2 ASN 91 12.408 4.950 -33.419 721 HB3 ASN 91 HB3 ASN 91 12.212 3.201 -33.468 722 HD21 ASN 91 HD21 ASN 91 10.171 2.664 -34.964 723 HD22 ASN 91 HD22 ASN 91 10.295 3.353 -36.544 724 H GLY 92 H GLY 92 8.474 2.809 -32.243 725 HA2 GLY 92 HA2 GLY 92 9.967 0.752 -30.828 726 HA3 GLY 92 HA3 GLY 92 8.832 1.673 -29.852 727 H ALA 93 H ALA 93 6.560 1.735 -30.666 728 HA ALA 93 HA ALA 93 5.825 -0.940 -31.615 729 HB1 ALA 93 HB1 ALA 93 3.590 0.664 -30.763 730 HB2 ALA 93 HB2 ALA 93 4.181 -0.870 -30.123 731 HB3 ALA 93 HB3 ALA 93 4.856 0.650 -29.535 732 H GLU 94 H GLU 94 4.370 2.303 -31.940 733 HA GLU 94 HA GLU 94 3.369 3.348 -33.695 734 HB2 GLU 94 HB2 GLU 94 5.847 2.578 -34.567 735 HB3 GLU 94 HB3 GLU 94 4.803 1.861 -35.786 736 HG2 GLU 94 HG2 GLU 94 4.438 4.718 -35.011 737 HG3 GLU 94 HG3 GLU 94 5.732 4.259 -36.116 738 H GLY 95 H GLY 95 2.484 0.592 -32.777 739 HA2 GLY 95 HA2 GLY 95 0.209 0.309 -34.309 740 HA3 GLY 95 HA3 GLY 95 1.406 -0.732 -35.064 741 H ALA 96 H ALA 96 2.682 -1.263 -32.427 742 HA ALA 96 HA ALA 96 0.619 -3.046 -31.306 743 HB1 ALA 96 HB1 ALA 96 2.065 -4.830 -31.212 744 HB2 ALA 96 HB2 ALA 96 2.582 -4.053 -32.709 745 HB3 ALA 96 HB3 ALA 96 3.502 -3.806 -31.224 746 H TYR 97 H TYR 97 0.546 -0.835 -30.046 747 HA TYR 97 HA TYR 97 2.461 -0.080 -28.210 748 HB2 TYR 97 HB2 TYR 97 0.615 0.898 -26.903 749 HB3 TYR 97 HB3 TYR 97 0.442 1.230 -28.623 750 HD1 TYR 97 HD1 TYR 97 -1.315 0.129 -29.931 751 HD2 TYR 97 HD2 TYR 97 -0.964 -0.501 -25.737 752 HE1 TYR 97 HE1 TYR 97 -3.588 -0.809 -29.887 753 HE2 TYR 97 HE2 TYR 97 -3.235 -1.443 -25.683 754 HH TYR 97 HH TYR 97 -5.199 -1.583 -26.881 755 H ALA 98 H ALA 98 0.284 -2.795 -28.124 756 HA ALA 98 HA ALA 98 0.292 -3.435 -25.424 757 HB1 ALA 98 HB1 ALA 98 -0.623 -4.623 -27.755 758 HB2 ALA 98 HB2 ALA 98 0.505 -5.800 -27.080 759 HB3 ALA 98 HB3 ALA 98 -0.848 -5.219 -26.110 760 H ASP 99 H ASP 99 2.813 -3.750 -27.794 761 HA ASP 99 HA ASP 99 4.417 -5.661 -26.482 762 HB2 ASP 99 HB2 ASP 99 5.192 -3.431 -28.373 763 HB3 ASP 99 HB3 ASP 99 6.263 -4.737 -27.875 764 H ALA 100 H ALA 100 4.193 -2.155 -26.213 765 HA ALA 100 HA ALA 100 6.428 -1.966 -24.403 766 HB1 ALA 100 HB1 ALA 100 4.378 0.018 -25.354 767 HB2 ALA 100 HB2 ALA 100 5.615 0.417 -24.160 768 HB3 ALA 100 HB3 ALA 100 6.085 -0.082 -25.785 769 H ALA 101 H ALA 101 3.021 -2.474 -24.160 770 HA ALA 101 HA ALA 101 2.666 -1.570 -21.489 771 HB1 ALA 101 HB1 ALA 101 0.509 -2.116 -21.787 772 HB2 ALA 101 HB2 ALA 101 0.976 -2.325 -23.475 773 HB3 ALA 101 HB3 ALA 101 0.895 -3.723 -22.403 774 H ARG 102 H ARG 102 3.725 -4.576 -22.924 775 HA ARG 102 HA ARG 102 3.379 -6.276 -20.720 776 HB2 ARG 102 HB2 ARG 102 4.183 -6.664 -23.250 777 HB3 ARG 102 HB3 ARG 102 5.752 -6.687 -22.456 778 HG2 ARG 102 HG2 ARG 102 4.962 -8.929 -22.623 779 HG3 ARG 102 HG3 ARG 102 4.885 -8.445 -20.928 780 HD2 ARG 102 HD2 ARG 102 2.421 -7.723 -21.746 781 HD3 ARG 102 HD3 ARG 102 2.719 -9.086 -22.824 782 HE ARG 102 HE ARG 102 3.404 -9.899 -20.256 783 HH11 ARG 102 HH11 ARG 102 0.564 -8.876 -21.991 784 HH12 ARG 102 HH12 ARG 102 -0.525 -9.814 -21.022 785 HH21 ARG 102 HH21 ARG 102 1.981 -11.138 -18.974 786 HH22 ARG 102 HH22 ARG 102 0.282 -11.099 -19.306 787 H THR 103 H THR 103 6.262 -4.462 -21.766 788 HA THR 103 HA THR 103 7.870 -5.194 -19.569 789 HB THR 103 HB THR 103 8.876 -4.314 -21.597 790 HG1 THR 103 HG1 THR 103 10.363 -3.747 -20.205 791 HG21 THR 103 HG21 THR 103 8.716 -1.887 -22.109 792 HG22 THR 103 HG22 THR 103 7.470 -1.742 -20.871 793 HG23 THR 103 HG23 THR 103 7.184 -2.740 -22.297 794 H PHE 104 H PHE 104 5.507 -2.665 -20.033 795 HA PHE 104 HA PHE 104 6.232 -1.004 -17.880 796 HB2 PHE 104 HB2 PHE 104 4.723 -0.181 -19.565 797 HB3 PHE 104 HB3 PHE 104 3.566 -1.463 -19.225 798 HD1 PHE 104 HD1 PHE 104 2.198 -1.400 -17.205 799 HD2 PHE 104 HD2 PHE 104 4.873 1.764 -18.179 800 HE1 PHE 104 HE1 PHE 104 1.060 0.057 -15.582 801 HE2 PHE 104 HE2 PHE 104 3.740 3.226 -16.557 802 HZ PHE 104 HZ PHE 104 1.831 2.373 -15.255 803 H GLU 105 H GLU 105 3.752 -3.554 -18.084 804 HA GLU 105 HA GLU 105 2.855 -3.457 -15.464 805 HB2 GLU 105 HB2 GLU 105 3.002 -5.659 -17.494 806 HB3 GLU 105 HB3 GLU 105 2.433 -5.999 -15.866 807 HG2 GLU 105 HG2 GLU 105 1.250 -3.887 -17.648 808 HG3 GLU 105 HG3 GLU 105 0.638 -5.536 -17.527 809 H LYS 106 H LYS 106 5.585 -5.249 -16.827 810 HA LYS 106 HA LYS 106 6.305 -6.744 -14.600 811 HB2 LYS 106 HB2 LYS 106 7.276 -6.617 -17.057 812 HB3 LYS 106 HB3 LYS 106 8.444 -5.540 -16.303 813 HG2 LYS 106 HG2 LYS 106 9.571 -7.459 -15.982 814 HG3 LYS 106 HG3 LYS 106 8.529 -7.577 -14.562 815 HD2 LYS 106 HD2 LYS 106 8.355 -9.676 -15.584 816 HD3 LYS 106 HD3 LYS 106 6.897 -8.821 -16.096 817 HE2 LYS 106 HE2 LYS 106 7.462 -9.292 -18.195 818 HE3 LYS 106 HE3 LYS 106 8.818 -8.180 -18.010 819 HZ1 LYS 106 HZ1 LYS 106 10.176 -9.892 -18.259 820 HZ2 LYS 106 HZ2 LYS 106 8.875 -10.969 -18.354 821 HZ3 LYS 106 HZ3 LYS 106 9.559 -10.601 -16.852 822 H PHE 107 H PHE 107 7.217 -3.434 -15.476 823 HA PHE 107 HA PHE 107 9.059 -2.938 -13.456 824 HB2 PHE 107 HB2 PHE 107 7.384 -1.316 -15.245 825 HB3 PHE 107 HB3 PHE 107 7.820 -0.512 -13.741 826 HD1 PHE 107 HD1 PHE 107 9.299 -2.376 -16.596 827 HD2 PHE 107 HD2 PHE 107 9.882 0.520 -13.532 828 HE1 PHE 107 HE1 PHE 107 11.509 -1.836 -17.532 829 HE2 PHE 107 HE2 PHE 107 12.092 1.066 -14.464 830 HZ PHE 107 HZ PHE 107 12.909 -0.113 -16.466 831 H ALA 108 H ALA 108 5.545 -2.388 -13.440 832 HA ALA 108 HA ALA 108 5.323 -1.336 -10.870 833 HB1 ALA 108 HB1 ALA 108 3.471 -1.205 -12.368 834 HB2 ALA 108 HB2 ALA 108 3.366 -2.962 -12.482 835 HB3 ALA 108 HB3 ALA 108 2.962 -2.151 -10.969 836 H MET 109 H MET 109 5.336 -4.700 -11.964 837 HA MET 109 HA MET 109 4.659 -5.918 -9.539 838 HB2 MET 109 HB2 MET 109 4.853 -6.981 -11.852 839 HB3 MET 109 HB3 MET 109 6.581 -7.091 -11.543 840 HG2 MET 109 HG2 MET 109 5.683 -8.237 -9.309 841 HG3 MET 109 HG3 MET 109 4.340 -8.622 -10.382 842 HE1 MET 109 HE1 MET 109 5.950 -11.815 -9.961 843 HE2 MET 109 HE2 MET 109 7.395 -11.017 -9.337 844 HE3 MET 109 HE3 MET 109 5.796 -10.460 -8.842 845 H GLY 110 H GLY 110 7.844 -5.070 -10.871 846 HA2 GLY 110 HA2 GLY 110 9.446 -6.154 -8.873 847 HA3 GLY 110 HA3 GLY 110 9.870 -4.751 -9.842 848 H LYS 111 H LYS 111 7.907 -2.962 -9.001 849 HA LYS 111 HA LYS 111 9.061 -1.861 -6.719 850 HB2 LYS 111 HB2 LYS 111 7.609 -0.695 -8.435 851 HB3 LYS 111 HB3 LYS 111 6.217 -1.383 -7.609 852 HG2 LYS 111 HG2 LYS 111 7.104 -0.257 -5.509 853 HG3 LYS 111 HG3 LYS 111 8.183 0.636 -6.583 854 HD2 LYS 111 HD2 LYS 111 6.306 2.026 -6.294 855 HD3 LYS 111 HD3 LYS 111 6.093 1.288 -7.883 856 HE2 LYS 111 HE2 LYS 111 3.989 1.180 -6.802 857 HE3 LYS 111 HE3 LYS 111 4.659 -0.450 -6.755 858 HZ1 LYS 111 HZ1 LYS 111 4.485 -0.431 -4.563 859 HZ2 LYS 111 HZ2 LYS 111 3.807 1.118 -4.612 860 HZ3 LYS 111 HZ3 LYS 111 5.481 0.932 -4.456 861 H ILE 112 H ILE 112 6.123 -3.820 -7.048 862 HA ILE 112 HA ILE 112 5.251 -3.701 -4.402 863 HB ILE 112 HB ILE 112 4.992 -6.033 -6.305 864 HG12 ILE 112 HG12 ILE 112 2.986 -3.839 -5.784 865 HG13 ILE 112 HG13 ILE 112 4.157 -3.759 -7.095 866 HG21 ILE 112 HG21 ILE 112 4.345 -6.928 -4.290 867 HG22 ILE 112 HG22 ILE 112 3.758 -5.385 -3.670 868 HG23 ILE 112 HG23 ILE 112 2.817 -6.268 -4.872 869 HD11 ILE 112 HD11 ILE 112 2.847 -6.275 -7.216 870 HD12 ILE 112 HD12 ILE 112 1.629 -5.008 -7.070 871 HD13 ILE 112 HD13 ILE 112 2.812 -4.949 -8.377 872 H ASP 113 H ASP 113 7.597 -5.846 -5.942 873 HA ASP 113 HA ASP 113 7.975 -7.623 -3.808 874 HB2 ASP 113 HB2 ASP 113 9.670 -6.778 -6.136 875 HB3 ASP 113 HB3 ASP 113 10.337 -7.841 -4.899 876 H ALA 114 H ALA 114 9.750 -4.661 -4.664 877 HA ALA 114 HA ALA 114 11.492 -4.763 -2.425 878 HB1 ALA 114 HB1 ALA 114 11.410 -3.311 -4.735 879 HB2 ALA 114 HB2 ALA 114 10.979 -2.102 -3.525 880 HB3 ALA 114 HB3 ALA 114 12.490 -2.999 -3.376 881 H TYR 115 H TYR 115 8.335 -3.351 -2.988 882 HA TYR 115 HA TYR 115 8.139 -1.554 -0.905 883 HB2 TYR 115 HB2 TYR 115 6.360 -1.703 -2.496 884 HB3 TYR 115 HB3 TYR 115 6.056 -3.390 -2.093 885 HD1 TYR 115 HD1 TYR 115 6.551 -0.507 0.208 886 HD2 TYR 115 HD2 TYR 115 3.842 -3.395 -1.348 887 HE1 TYR 115 HE1 TYR 115 4.865 0.196 1.855 888 HE2 TYR 115 HE2 TYR 115 2.148 -2.699 0.293 889 HH TYR 115 HH TYR 115 2.392 -1.482 2.785 890 H ILE 116 H ILE 116 7.349 -5.026 -0.829 891 HA ILE 116 HA ILE 116 6.761 -5.070 1.949 892 HB ILE 116 HB ILE 116 7.573 -7.387 0.190 893 HG12 ILE 116 HG12 ILE 116 4.801 -6.365 0.843 894 HG13 ILE 116 HG13 ILE 116 5.629 -6.101 -0.687 895 HG21 ILE 116 HG21 ILE 116 7.689 -7.814 2.616 896 HG22 ILE 116 HG22 ILE 116 5.994 -7.351 2.758 897 HG23 ILE 116 HG23 ILE 116 6.443 -8.773 1.818 898 HD11 ILE 116 HD11 ILE 116 4.108 -7.894 -0.984 899 HD12 ILE 116 HD12 ILE 116 5.732 -8.580 -0.958 900 HD13 ILE 116 HD13 ILE 116 4.696 -8.713 0.463 901 H SER 117 H SER 117 9.670 -5.654 0.060 902 HA SER 117 HA SER 117 11.267 -6.837 2.012 903 HB2 SER 117 HB2 SER 117 11.887 -5.125 -0.382 904 HB3 SER 117 HB3 SER 117 13.176 -5.676 0.688 905 HG SER 117 HG SER 117 13.091 -7.462 -0.399 906 H GLN 118 H GLN 118 10.166 -3.585 1.697 907 HA GLN 118 HA GLN 118 11.881 -2.800 3.960 908 HB2 GLN 118 HB2 GLN 118 11.731 -0.470 3.102 909 HB3 GLN 118 HB3 GLN 118 12.575 -1.562 2.013 910 HG2 GLN 118 HG2 GLN 118 10.048 -1.757 1.069 911 HG3 GLN 118 HG3 GLN 118 10.065 -0.092 1.648 912 HE21 GLN 118 HE21 GLN 118 12.455 -2.188 0.068 913 HE22 GLN 118 HE22 GLN 118 12.817 -1.094 -1.219 914 H LYS 119 H LYS 119 9.858 -3.896 4.961 915 HA LYS 119 HA LYS 119 7.608 -2.040 5.169 916 HB2 LYS 119 HB2 LYS 119 7.164 -4.450 4.774 917 HB3 LYS 119 HB3 LYS 119 7.920 -4.820 6.318 918 HG2 LYS 119 HG2 LYS 119 6.192 -3.375 7.410 919 HG3 LYS 119 HG3 LYS 119 5.384 -3.274 5.844 920 HD2 LYS 119 HD2 LYS 119 4.454 -5.280 6.119 921 HD3 LYS 119 HD3 LYS 119 6.014 -6.012 6.505 922 HE2 LYS 119 HE2 LYS 119 5.713 -4.960 8.823 923 HE3 LYS 119 HE3 LYS 119 4.029 -4.726 8.357 924 HZ1 LYS 119 HZ1 LYS 119 4.147 -6.768 9.505 925 HZ2 LYS 119 HZ2 LYS 119 5.493 -7.289 8.621 926 HZ3 LYS 119 HZ3 LYS 119 3.983 -7.168 7.869 927 H VAL 120 H VAL 120 10.402 -3.053 6.877 928 HA VAL 120 HA VAL 120 9.416 -2.083 9.445 929 HB VAL 120 HB VAL 120 12.260 -2.882 9.066 930 HG11 VAL 120 HG11 VAL 120 10.236 -3.465 11.226 931 HG12 VAL 120 HG12 VAL 120 11.966 -3.805 11.291 932 HG13 VAL 120 HG13 VAL 120 11.395 -2.136 11.246 933 HG21 VAL 120 HG21 VAL 120 11.607 -5.274 9.347 934 HG22 VAL 120 HG22 VAL 120 9.938 -4.804 9.022 935 HG23 VAL 120 HG23 VAL 120 11.173 -4.589 7.781 936 H GLY 121 H GLY 121 11.740 -1.228 6.934 937 HA2 GLY 121 HA2 GLY 121 13.183 0.775 8.139 938 HA3 GLY 121 HA3 GLY 121 12.721 0.795 6.444 939 H GLY 122 H GLY 122 9.846 0.883 7.086 940 HA2 GLY 122 HA2 GLY 122 8.605 2.593 8.522 941 HA3 GLY 122 HA3 GLY 122 9.739 3.738 7.821 942 H LEU 123 H LEU 123 9.196 1.555 5.456 943 HA LEU 123 HA LEU 123 7.298 3.323 4.135 944 HB2 LEU 123 HB2 LEU 123 9.478 2.356 3.132 945 HB3 LEU 123 HB3 LEU 123 8.529 0.888 2.902 946 HG LEU 123 HG LEU 123 6.881 2.523 1.672 947 HD11 LEU 123 HD11 LEU 123 8.333 4.497 2.352 948 HD12 LEU 123 HD12 LEU 123 7.854 4.402 0.658 949 HD13 LEU 123 HD13 LEU 123 9.482 3.927 1.141 950 HD21 LEU 123 HD21 LEU 123 9.407 1.880 0.204 951 HD22 LEU 123 HD22 LEU 123 7.733 1.757 -0.338 952 HD23 LEU 123 HD23 LEU 123 8.375 0.585 0.814 953 H GLU 124 H GLU 124 7.367 0.283 5.715 954 HA GLU 124 HA GLU 124 5.762 -1.269 6.153 955 HB2 GLU 124 HB2 GLU 124 4.413 1.169 5.985 956 HB3 GLU 124 HB3 GLU 124 3.471 0.073 4.983 957 HG2 GLU 124 HG2 GLU 124 4.123 -1.303 7.364 958 HG3 GLU 124 HG3 GLU 124 3.537 0.297 7.814 Start of MODEL 6 1 H1 MET 1 H1 MET 1 1.370 2.438 -3.546 2 HA MET 1 HA MET 1 0.455 0.897 -1.457 3 HB2 MET 1 HB2 MET 1 0.403 -0.860 -3.334 4 HB3 MET 1 HB3 MET 1 2.158 -0.845 -3.225 5 HG2 MET 1 HG2 MET 1 2.095 -2.237 -1.515 6 HG3 MET 1 HG3 MET 1 1.086 -1.117 -0.605 7 HE1 MET 1 HE1 MET 1 -1.039 -3.253 0.514 8 HE2 MET 1 HE2 MET 1 -0.207 -4.651 -0.168 9 HE3 MET 1 HE3 MET 1 0.724 -3.292 0.463 10 H SER 2 H SER 2 1.729 2.741 -0.705 11 HA SER 2 HA SER 2 4.334 1.921 0.131 12 HB2 SER 2 HB2 SER 2 4.819 4.473 -1.088 13 HB3 SER 2 HB3 SER 2 5.638 2.939 -1.379 14 HG SER 2 HG SER 2 3.135 3.527 -2.546 15 H GLN 3 H GLN 3 5.441 4.217 0.992 16 HA GLN 3 HA GLN 3 3.345 5.440 2.663 17 HB2 GLN 3 HB2 GLN 3 5.382 3.853 3.568 18 HB3 GLN 3 HB3 GLN 3 6.078 5.459 3.743 19 HG2 GLN 3 HG2 GLN 3 3.650 4.308 5.055 20 HG3 GLN 3 HG3 GLN 3 5.070 5.047 5.794 21 HE21 GLN 3 HE21 GLN 3 5.385 7.385 5.263 22 HE22 GLN 3 HE22 GLN 3 3.976 8.383 5.222 23 H ASN 4 H ASN 4 3.091 7.539 2.329 24 HA ASN 4 HA ASN 4 4.991 9.035 0.774 25 HB2 ASN 4 HB2 ASN 4 3.350 10.933 1.215 26 HB3 ASN 4 HB3 ASN 4 2.713 9.539 0.348 27 HD21 ASN 4 HD21 ASN 4 2.330 11.592 2.977 28 HD22 ASN 4 HD22 ASN 4 1.089 10.718 3.804 29 H ARG 5 H ARG 5 6.796 8.819 2.276 30 HA ARG 5 HA ARG 5 7.064 11.141 3.915 31 HB2 ARG 5 HB2 ARG 5 5.847 9.734 5.499 32 HB3 ARG 5 HB3 ARG 5 7.021 8.444 5.279 33 HG2 ARG 5 HG2 ARG 5 8.769 9.979 6.174 34 HG3 ARG 5 HG3 ARG 5 7.485 11.132 6.544 35 HD2 ARG 5 HD2 ARG 5 7.122 8.362 7.518 36 HD3 ARG 5 HD3 ARG 5 8.377 9.321 8.301 37 HE ARG 5 HE ARG 5 6.075 10.881 8.189 38 HH11 ARG 5 HH11 ARG 5 7.167 7.936 9.691 39 HH12 ARG 5 HH12 ARG 5 6.129 8.100 11.068 40 HH21 ARG 5 HH21 ARG 5 4.703 11.107 9.998 41 HH22 ARG 5 HH22 ARG 5 4.727 9.903 11.241 42 H GLN 6 H GLN 6 8.562 7.939 4.261 43 HA GLN 6 HA GLN 6 11.009 9.001 3.033 44 HB2 GLN 6 HB2 GLN 6 12.361 8.474 4.808 45 HB3 GLN 6 HB3 GLN 6 10.892 8.906 5.671 46 HG2 GLN 6 HG2 GLN 6 11.833 6.126 5.010 47 HG3 GLN 6 HG3 GLN 6 11.836 6.894 6.596 48 HE21 GLN 6 HE21 GLN 6 10.432 4.508 5.252 49 HE22 GLN 6 HE22 GLN 6 8.790 4.682 5.759 50 H LEU 7 H LEU 7 12.447 7.393 2.192 51 HA LEU 7 HA LEU 7 11.071 4.868 1.564 52 HB2 LEU 7 HB2 LEU 7 12.690 6.741 -0.015 53 HB3 LEU 7 HB3 LEU 7 13.074 5.039 -0.266 54 HG LEU 7 HG LEU 7 11.372 6.180 -1.829 55 HD11 LEU 7 HD11 LEU 7 11.496 3.952 -2.231 56 HD12 LEU 7 HD12 LEU 7 9.877 3.997 -1.532 57 HD13 LEU 7 HD13 LEU 7 11.253 3.518 -0.538 58 HD21 LEU 7 HD21 LEU 7 10.119 7.067 0.260 59 HD22 LEU 7 HD22 LEU 7 9.406 5.455 0.305 60 HD23 LEU 7 HD23 LEU 7 9.189 6.475 -1.117 61 H LEU 8 H LEU 8 11.935 3.024 2.258 62 HA LEU 8 HA LEU 8 14.091 2.907 4.014 63 HB2 LEU 8 HB2 LEU 8 12.181 1.207 3.462 64 HB3 LEU 8 HB3 LEU 8 13.367 0.542 2.341 65 HG LEU 8 HG LEU 8 13.755 0.825 5.321 66 HD11 LEU 8 HD11 LEU 8 12.044 -0.845 4.685 67 HD12 LEU 8 HD12 LEU 8 13.472 -1.561 5.432 68 HD13 LEU 8 HD13 LEU 8 13.250 -1.656 3.685 69 HD21 LEU 8 HD21 LEU 8 15.445 -0.442 3.169 70 HD22 LEU 8 HD22 LEU 8 15.714 -0.635 4.902 71 HD23 LEU 8 HD23 LEU 8 15.857 0.959 4.160 72 H TYR 9 H TYR 9 14.045 1.503 0.733 73 HA TYR 9 HA TYR 9 16.420 2.680 -0.152 74 HB2 TYR 9 HB2 TYR 9 16.785 0.390 1.606 75 HB3 TYR 9 HB3 TYR 9 17.509 0.127 0.024 76 HD1 TYR 9 HD1 TYR 9 18.643 2.573 -0.800 77 HD2 TYR 9 HD2 TYR 9 18.359 1.033 3.157 78 HE1 TYR 9 HE1 TYR 9 20.587 3.927 -0.139 79 HE2 TYR 9 HE2 TYR 9 20.301 2.384 3.828 80 HH TYR 9 HH TYR 9 22.208 3.481 2.845 81 HA PRO 10 HA PRO 10 13.835 0.422 -3.258 82 HB2 PRO 10 HB2 PRO 10 13.655 2.525 -4.965 83 HB3 PRO 10 HB3 PRO 10 12.543 2.289 -3.611 84 HG2 PRO 10 HG2 PRO 10 14.941 4.072 -3.805 85 HG3 PRO 10 HG3 PRO 10 13.345 4.414 -3.112 86 HD2 PRO 10 HD2 PRO 10 15.490 3.779 -1.586 87 HD3 PRO 10 HD3 PRO 10 13.832 3.332 -1.136 88 H ARG 11 H ARG 11 15.029 -0.903 -4.467 89 HA ARG 11 HA ARG 11 16.577 -0.073 -6.635 90 HB2 ARG 11 HB2 ARG 11 18.835 -0.872 -5.733 91 HB3 ARG 11 HB3 ARG 11 18.279 0.716 -5.220 92 HG2 ARG 11 HG2 ARG 11 18.169 0.115 -3.070 93 HG3 ARG 11 HG3 ARG 11 17.464 -1.459 -3.445 94 HD2 ARG 11 HD2 ARG 11 19.959 -1.832 -4.377 95 HD3 ARG 11 HD3 ARG 11 20.288 -0.672 -3.091 96 HE ARG 11 HE ARG 11 18.624 -2.882 -2.291 97 HH11 ARG 11 HH11 ARG 11 21.883 -1.711 -2.651 98 HH12 ARG 11 HH12 ARG 11 22.543 -2.799 -1.476 99 HH21 ARG 11 HH21 ARG 11 19.481 -4.320 -0.741 100 HH22 ARG 11 HH22 ARG 11 21.176 -4.283 -0.391 101 H GLU 12 H GLU 12 15.939 -2.518 -4.208 102 HA GLU 12 HA GLU 12 16.987 -4.775 -5.411 103 HB2 GLU 12 HB2 GLU 12 15.733 -4.467 -3.145 104 HB3 GLU 12 HB3 GLU 12 14.300 -4.870 -4.081 105 HG2 GLU 12 HG2 GLU 12 15.396 -6.977 -4.770 106 HG3 GLU 12 HG3 GLU 12 16.749 -6.579 -3.713 107 H GLU 13 H GLU 13 14.187 -2.912 -6.284 108 HA GLU 13 HA GLU 13 13.166 -4.946 -8.082 109 HB2 GLU 13 HB2 GLU 13 11.412 -3.327 -8.597 110 HB3 GLU 13 HB3 GLU 13 11.595 -3.516 -6.859 111 HG2 GLU 13 HG2 GLU 13 12.902 -1.446 -6.781 112 HG3 GLU 13 HG3 GLU 13 12.678 -1.251 -8.518 113 H MET 14 H MET 14 14.961 -1.932 -8.238 114 HA MET 14 HA MET 14 14.814 -1.323 -10.918 115 HB2 MET 14 HB2 MET 14 17.164 -1.091 -9.035 116 HB3 MET 14 HB3 MET 14 17.125 -0.370 -10.639 117 HG2 MET 14 HG2 MET 14 14.847 0.267 -8.887 118 HG3 MET 14 HG3 MET 14 16.410 0.916 -8.395 119 HE1 MET 14 HE1 MET 14 14.733 0.653 -12.262 120 HE2 MET 14 HE2 MET 14 13.681 0.617 -10.847 121 HE3 MET 14 HE3 MET 14 13.755 2.063 -11.854 122 H VAL 15 H VAL 15 17.024 -3.601 -9.327 123 HA VAL 15 HA VAL 15 18.457 -4.338 -11.637 124 HB VAL 15 HB VAL 15 19.136 -6.343 -10.367 125 HG11 VAL 15 HG11 VAL 15 19.864 -3.794 -9.927 126 HG12 VAL 15 HG12 VAL 15 19.295 -4.229 -8.314 127 HG13 VAL 15 HG13 VAL 15 20.576 -5.168 -9.081 128 HG21 VAL 15 HG21 VAL 15 18.112 -5.879 -7.821 129 HG22 VAL 15 HG22 VAL 15 16.725 -5.729 -8.901 130 HG23 VAL 15 HG23 VAL 15 17.693 -7.204 -8.906 131 H SER 16 H SER 16 15.386 -5.363 -10.348 132 HA SER 16 HA SER 16 15.086 -7.804 -11.681 133 HB2 SER 16 HB2 SER 16 13.579 -6.528 -9.896 134 HB3 SER 16 HB3 SER 16 12.704 -6.038 -11.347 135 HG SER 16 HG SER 16 12.001 -8.052 -10.322 136 H LEU 17 H LEU 17 14.062 -4.542 -12.672 137 HA LEU 17 HA LEU 17 12.930 -5.210 -15.122 138 HB2 LEU 17 HB2 LEU 17 14.444 -2.701 -14.416 139 HB3 LEU 17 HB3 LEU 17 13.326 -2.886 -15.766 140 HG LEU 17 HG LEU 17 11.917 -1.869 -14.319 141 HD11 LEU 17 HD11 LEU 17 10.466 -3.420 -13.246 142 HD12 LEU 17 HD12 LEU 17 11.748 -4.624 -13.118 143 HD13 LEU 17 HD13 LEU 17 11.090 -4.201 -14.699 144 HD21 LEU 17 HD21 LEU 17 13.966 -2.531 -12.425 145 HD22 LEU 17 HD22 LEU 17 12.376 -2.838 -11.726 146 HD23 LEU 17 HD23 LEU 17 12.764 -1.241 -12.366 147 H VAL 18 H VAL 18 16.179 -3.800 -14.673 148 HA VAL 18 HA VAL 18 17.135 -4.166 -17.227 149 HB VAL 18 HB VAL 18 18.350 -2.909 -15.504 150 HG11 VAL 18 HG11 VAL 18 19.675 -4.040 -13.817 151 HG12 VAL 18 HG12 VAL 18 17.974 -4.475 -13.642 152 HG13 VAL 18 HG13 VAL 18 19.103 -5.608 -14.386 153 HG21 VAL 18 HG21 VAL 18 19.454 -3.889 -17.576 154 HG22 VAL 18 HG22 VAL 18 20.524 -3.411 -16.258 155 HG23 VAL 18 HG23 VAL 18 20.135 -5.113 -16.504 156 H ARG 19 H ARG 19 16.826 -6.513 -14.651 157 HA ARG 19 HA ARG 19 18.444 -8.524 -15.859 158 HB2 ARG 19 HB2 ARG 19 16.561 -8.376 -13.563 159 HB3 ARG 19 HB3 ARG 19 16.887 -9.969 -14.235 160 HG2 ARG 19 HG2 ARG 19 19.241 -9.719 -13.822 161 HG3 ARG 19 HG3 ARG 19 19.008 -8.051 -13.295 162 HD2 ARG 19 HD2 ARG 19 19.269 -9.580 -11.397 163 HD3 ARG 19 HD3 ARG 19 17.683 -8.811 -11.406 164 HE ARG 19 HE ARG 19 17.529 -11.283 -12.741 165 HH11 ARG 19 HH11 ARG 19 17.940 -9.966 -9.544 166 HH12 ARG 19 HH12 ARG 19 17.226 -11.330 -8.749 167 HH21 ARG 19 HH21 ARG 19 16.587 -13.084 -11.706 168 HH22 ARG 19 HH22 ARG 19 16.458 -13.103 -9.980 169 H SER 20 H SER 20 15.006 -7.752 -15.907 170 HA SER 20 HA SER 20 14.091 -10.080 -17.179 171 HB2 SER 20 HB2 SER 20 12.380 -8.780 -16.282 172 HB3 SER 20 HB3 SER 20 13.041 -7.281 -16.934 173 HG SER 20 HG SER 20 12.285 -7.819 -18.936 174 H LEU 21 H LEU 21 15.661 -7.227 -18.407 175 HA LEU 21 HA LEU 21 15.241 -8.144 -21.166 176 HB2 LEU 21 HB2 LEU 21 15.792 -5.950 -21.888 177 HB3 LEU 21 HB3 LEU 21 14.631 -5.803 -20.571 178 HG LEU 21 HG LEU 21 17.194 -5.640 -19.407 179 HD11 LEU 21 HD11 LEU 21 17.501 -4.967 -22.039 180 HD12 LEU 21 HD12 LEU 21 18.514 -4.398 -20.713 181 HD13 LEU 21 HD13 LEU 21 17.173 -3.406 -21.286 182 HD21 LEU 21 HD21 LEU 21 15.536 -4.447 -18.362 183 HD22 LEU 21 HD22 LEU 21 14.873 -3.830 -19.875 184 HD23 LEU 21 HD23 LEU 21 16.370 -3.156 -19.229 185 H ASP 22 H ASP 22 17.080 -8.027 -22.645 186 HA ASP 22 HA ASP 22 19.736 -7.707 -21.860 187 HB2 ASP 22 HB2 ASP 22 18.780 -9.953 -20.662 188 HB3 ASP 22 HB3 ASP 22 19.398 -10.624 -22.169 189 H ARG 23 H ARG 23 18.374 -6.938 -24.064 190 HA ARG 23 HA ARG 23 19.560 -8.601 -26.186 191 HB2 ARG 23 HB2 ARG 23 17.653 -7.681 -27.633 192 HB3 ARG 23 HB3 ARG 23 17.255 -8.938 -26.469 193 HG2 ARG 23 HG2 ARG 23 16.967 -6.349 -25.264 194 HG3 ARG 23 HG3 ARG 23 16.046 -6.437 -26.767 195 HD2 ARG 23 HD2 ARG 23 14.812 -7.153 -24.694 196 HD3 ARG 23 HD3 ARG 23 14.825 -8.323 -26.013 197 HE ARG 23 HE ARG 23 16.976 -8.936 -24.378 198 HH11 ARG 23 HH11 ARG 23 13.506 -8.797 -24.131 199 HH12 ARG 23 HH12 ARG 23 13.411 -10.042 -22.929 200 HH21 ARG 23 HH21 ARG 23 16.864 -10.576 -22.797 201 HH22 ARG 23 HH22 ARG 23 15.322 -11.053 -22.171 202 HA PRO 24 HA PRO 24 21.162 -4.199 -26.276 203 HB2 PRO 24 HB2 PRO 24 23.792 -4.869 -26.212 204 HB3 PRO 24 HB3 PRO 24 22.828 -4.620 -24.752 205 HG2 PRO 24 HG2 PRO 24 23.597 -7.179 -26.102 206 HG3 PRO 24 HG3 PRO 24 23.588 -6.785 -24.373 207 HD2 PRO 24 HD2 PRO 24 21.609 -8.208 -25.553 208 HD3 PRO 24 HD3 PRO 24 21.316 -7.123 -24.179 209 H GLN 25 H GLN 25 20.252 -4.385 -28.456 210 HA GLN 25 HA GLN 25 21.729 -5.661 -30.540 211 HB2 GLN 25 HB2 GLN 25 19.654 -3.489 -30.841 212 HB3 GLN 25 HB3 GLN 25 20.142 -4.673 -32.046 213 HG2 GLN 25 HG2 GLN 25 19.319 -6.195 -29.879 214 HG3 GLN 25 HG3 GLN 25 18.160 -4.870 -29.958 215 HE21 GLN 25 HE21 GLN 25 19.898 -6.882 -32.314 216 HE22 GLN 25 HE22 GLN 25 18.501 -7.301 -33.240 217 H GLU 26 H GLU 26 21.229 -2.247 -29.649 218 HA GLU 26 HA GLU 26 23.187 -1.334 -31.544 219 HB2 GLU 26 HB2 GLU 26 21.062 -0.148 -30.329 220 HB3 GLU 26 HB3 GLU 26 22.389 0.484 -29.364 221 HG2 GLU 26 HG2 GLU 26 22.242 2.080 -30.986 222 HG3 GLU 26 HG3 GLU 26 23.447 1.006 -31.694 223 H ASN 27 H ASN 27 23.014 -1.519 -27.996 224 HA ASN 27 HA ASN 27 24.621 -1.430 -26.384 225 HB2 ASN 27 HB2 ASN 27 25.197 -3.550 -27.712 226 HB3 ASN 27 HB3 ASN 27 26.499 -2.605 -28.426 227 HD21 ASN 27 HD21 ASN 27 25.182 -3.782 -25.387 228 HD22 ASN 27 HD22 ASN 27 26.681 -3.789 -24.528 229 H GLY 28 H GLY 28 24.322 0.966 -27.751 230 HA2 GLY 28 HA2 GLY 28 27.051 2.033 -27.522 231 HA3 GLY 28 HA3 GLY 28 26.116 2.397 -28.965 232 H LEU 29 H LEU 29 23.587 2.702 -27.692 233 HA LEU 29 HA LEU 29 23.768 4.631 -25.597 234 HB2 LEU 29 HB2 LEU 29 24.504 6.162 -27.206 235 HB3 LEU 29 HB3 LEU 29 23.397 5.542 -28.428 236 HG LEU 29 HG LEU 29 22.155 6.764 -26.040 237 HD11 LEU 29 HD11 LEU 29 23.327 8.651 -26.121 238 HD12 LEU 29 HD12 LEU 29 22.596 8.938 -27.700 239 HD13 LEU 29 HD13 LEU 29 24.170 8.150 -27.587 240 HD21 LEU 29 HD21 LEU 29 21.621 6.397 -28.923 241 HD22 LEU 29 HD22 LEU 29 20.975 7.859 -28.178 242 HD23 LEU 29 HD23 LEU 29 20.533 6.276 -27.540 243 H PHE 30 H PHE 30 21.886 3.260 -28.242 244 HA PHE 30 HA PHE 30 19.333 3.975 -27.294 245 HB2 PHE 30 HB2 PHE 30 19.009 3.214 -29.391 246 HB3 PHE 30 HB3 PHE 30 20.437 2.186 -29.334 247 HD1 PHE 30 HD1 PHE 30 20.290 -0.103 -28.502 248 HD2 PHE 30 HD2 PHE 30 16.838 2.364 -28.847 249 HE1 PHE 30 HE1 PHE 30 18.853 -2.091 -28.305 250 HE2 PHE 30 HE2 PHE 30 15.396 0.381 -28.649 251 HZ PHE 30 HZ PHE 30 16.403 -1.851 -28.377 252 H SER 31 H SER 31 21.576 1.573 -26.280 253 HA SER 31 HA SER 31 19.632 0.617 -24.304 254 HB2 SER 31 HB2 SER 31 20.306 -1.695 -24.617 255 HB3 SER 31 HB3 SER 31 19.752 -1.042 -26.159 256 HG SER 31 HG SER 31 21.750 -2.252 -26.262 257 H GLN 32 H GLN 32 22.095 2.404 -24.447 258 HA GLN 32 HA GLN 32 23.281 1.430 -21.993 259 HB2 GLN 32 HB2 GLN 32 24.560 0.941 -24.478 260 HB3 GLN 32 HB3 GLN 32 25.479 2.196 -23.657 261 HG2 GLN 32 HG2 GLN 32 26.440 0.665 -22.393 262 HG3 GLN 32 HG3 GLN 32 24.866 0.205 -21.747 263 HE21 GLN 32 HE21 GLN 32 23.627 -0.951 -23.823 264 HE22 GLN 32 HE22 GLN 32 24.486 -2.355 -24.349 265 H ASP 33 H ASP 33 25.217 3.069 -21.456 266 HA ASP 33 HA ASP 33 24.009 5.731 -21.695 267 HB2 ASP 33 HB2 ASP 33 26.027 4.618 -19.738 268 HB3 ASP 33 HB3 ASP 33 25.508 6.301 -19.767 269 H VAL 34 H VAL 34 24.793 6.868 -23.346 270 HA VAL 34 HA VAL 34 27.192 6.450 -24.683 271 HB VAL 34 HB VAL 34 25.298 7.802 -25.557 272 HG11 VAL 34 HG11 VAL 34 26.394 10.027 -23.848 273 HG12 VAL 34 HG12 VAL 34 24.978 10.073 -24.899 274 HG13 VAL 34 HG13 VAL 34 24.959 9.089 -23.435 275 HG21 VAL 34 HG21 VAL 34 27.366 9.774 -25.905 276 HG22 VAL 34 HG22 VAL 34 28.044 8.146 -25.960 277 HG23 VAL 34 HG23 VAL 34 26.737 8.595 -27.056 278 H LEU 35 H LEU 35 26.546 8.183 -21.747 279 HA LEU 35 HA LEU 35 28.857 9.806 -21.687 280 HB2 LEU 35 HB2 LEU 35 26.635 9.581 -20.154 281 HB3 LEU 35 HB3 LEU 35 27.833 8.814 -19.113 282 HG LEU 35 HG LEU 35 27.524 11.184 -18.578 283 HD11 LEU 35 HD11 LEU 35 29.788 11.706 -18.335 284 HD12 LEU 35 HD12 LEU 35 30.236 10.869 -19.821 285 HD13 LEU 35 HD13 LEU 35 29.754 9.944 -18.399 286 HD21 LEU 35 HD21 LEU 35 27.057 11.723 -21.075 287 HD22 LEU 35 HD22 LEU 35 28.807 11.921 -21.175 288 HD23 LEU 35 HD23 LEU 35 27.868 12.919 -20.064 289 H LEU 36 H LEU 36 28.429 6.453 -21.311 290 HA LEU 36 HA LEU 36 30.947 6.146 -19.846 291 HB2 LEU 36 HB2 LEU 36 28.650 4.323 -20.442 292 HB3 LEU 36 HB3 LEU 36 30.217 3.662 -19.978 293 HG LEU 36 HG LEU 36 28.758 3.763 -18.057 294 HD11 LEU 36 HD11 LEU 36 30.563 4.202 -16.852 295 HD12 LEU 36 HD12 LEU 36 30.316 5.931 -17.095 296 HD13 LEU 36 HD13 LEU 36 31.297 5.011 -18.236 297 HD21 LEU 36 HD21 LEU 36 28.648 6.687 -17.900 298 HD22 LEU 36 HD22 LEU 36 27.416 5.480 -17.532 299 HD23 LEU 36 HD23 LEU 36 27.683 5.986 -19.200 300 H GLN 37 H GLN 37 30.672 6.972 -22.708 301 HA GLN 37 HA GLN 37 31.987 4.709 -24.035 302 HB2 GLN 37 HB2 GLN 37 30.949 7.258 -25.278 303 HB3 GLN 37 HB3 GLN 37 31.500 5.820 -26.126 304 HG2 GLN 37 HG2 GLN 37 29.168 5.776 -24.239 305 HG3 GLN 37 HG3 GLN 37 28.999 6.170 -25.949 306 HE21 GLN 37 HE21 GLN 37 27.661 4.047 -24.898 307 HE22 GLN 37 HE22 GLN 37 28.331 2.571 -25.496 308 H TYR 38 H TYR 38 32.308 8.238 -24.373 309 HA TYR 38 HA TYR 38 35.051 8.218 -23.528 310 HB2 TYR 38 HB2 TYR 38 34.346 8.219 -26.427 311 HB3 TYR 38 HB3 TYR 38 35.676 9.241 -25.896 312 HD1 TYR 38 HD1 TYR 38 37.072 7.723 -23.917 313 HD2 TYR 38 HD2 TYR 38 35.184 6.340 -27.471 314 HE1 TYR 38 HE1 TYR 38 38.583 5.783 -23.958 315 HE2 TYR 38 HE2 TYR 38 36.689 4.396 -27.521 316 HH TYR 38 HH TYR 38 38.803 3.639 -24.870 317 HA PRO 39 HA PRO 39 34.159 12.438 -22.712 318 HB2 PRO 39 HB2 PRO 39 36.635 13.540 -22.874 319 HB3 PRO 39 HB3 PRO 39 36.131 12.502 -21.535 320 HG2 PRO 39 HG2 PRO 39 37.752 11.817 -23.957 321 HG3 PRO 39 HG3 PRO 39 38.005 11.336 -22.269 322 HD2 PRO 39 HD2 PRO 39 36.870 9.693 -24.097 323 HD3 PRO 39 HD3 PRO 39 36.427 9.660 -22.378 324 H GLU 40 H GLU 40 33.021 12.431 -24.904 325 HA GLU 40 HA GLU 40 33.810 14.743 -26.342 326 HB2 GLU 40 HB2 GLU 40 34.132 13.640 -28.558 327 HB3 GLU 40 HB3 GLU 40 35.420 13.315 -27.407 328 HG2 GLU 40 HG2 GLU 40 33.829 11.209 -26.919 329 HG3 GLU 40 HG3 GLU 40 33.452 11.491 -28.617 330 H LEU 41 H LEU 41 31.901 11.781 -26.295 331 HA LEU 41 HA LEU 41 29.747 13.111 -27.763 332 HB2 LEU 41 HB2 LEU 41 28.696 10.819 -27.673 333 HB3 LEU 41 HB3 LEU 41 30.176 10.966 -28.618 334 HG LEU 41 HG LEU 41 29.825 8.899 -27.092 335 HD11 LEU 41 HD11 LEU 41 32.465 9.878 -26.430 336 HD12 LEU 41 HD12 LEU 41 32.047 10.204 -28.112 337 HD13 LEU 41 HD13 LEU 41 31.983 8.555 -27.492 338 HD21 LEU 41 HD21 LEU 41 29.220 10.198 -25.088 339 HD22 LEU 41 HD22 LEU 41 30.839 10.897 -25.073 340 HD23 LEU 41 HD23 LEU 41 30.626 9.164 -24.823 341 H ALA 42 H ALA 42 30.678 13.275 -24.762 342 HA ALA 42 HA ALA 42 28.633 12.357 -23.115 343 HB1 ALA 42 HB1 ALA 42 30.655 13.166 -22.146 344 HB2 ALA 42 HB2 ALA 42 30.414 14.770 -22.840 345 HB3 ALA 42 HB3 ALA 42 29.341 14.190 -21.566 346 H GLU 43 H GLU 43 28.681 15.004 -25.339 347 HA GLU 43 HA GLU 43 26.546 16.504 -24.213 348 HB2 GLU 43 HB2 GLU 43 28.214 17.388 -25.857 349 HB3 GLU 43 HB3 GLU 43 27.429 16.425 -27.102 350 HG2 GLU 43 HG2 GLU 43 25.409 17.678 -26.898 351 HG3 GLU 43 HG3 GLU 43 26.020 18.529 -25.481 352 H SER 44 H SER 44 26.731 13.821 -26.460 353 HA SER 44 HA SER 44 24.099 13.935 -27.452 354 HB2 SER 44 HB2 SER 44 24.538 11.890 -28.448 355 HB3 SER 44 HB3 SER 44 26.176 12.489 -28.184 356 HG SER 44 HG SER 44 26.008 11.287 -26.109 357 H TYR 45 H TYR 45 25.433 12.717 -24.479 358 HA TYR 45 HA TYR 45 23.501 10.941 -23.633 359 HB2 TYR 45 HB2 TYR 45 25.589 11.411 -22.404 360 HB3 TYR 45 HB3 TYR 45 24.949 12.981 -21.929 361 HD1 TYR 45 HD1 TYR 45 24.608 9.339 -21.478 362 HD2 TYR 45 HD2 TYR 45 23.366 13.184 -20.145 363 HE1 TYR 45 HE1 TYR 45 23.587 8.313 -19.490 364 HE2 TYR 45 HE2 TYR 45 22.342 12.169 -18.152 365 HH TYR 45 HH TYR 45 22.560 10.122 -16.810 366 H THR 46 H THR 46 23.580 14.432 -22.897 367 HA THR 46 HA THR 46 21.003 14.503 -21.749 368 HB THR 46 HB THR 46 22.516 16.274 -21.215 369 HG1 THR 46 HG1 THR 46 20.185 16.771 -21.594 370 HG21 THR 46 HG21 THR 46 23.923 16.330 -23.149 371 HG22 THR 46 HG22 THR 46 23.207 17.931 -22.969 372 HG23 THR 46 HG23 THR 46 22.578 16.816 -24.182 373 H LYS 47 H LYS 47 22.155 14.847 -25.035 374 HA LYS 47 HA LYS 47 19.961 16.047 -26.240 375 HB2 LYS 47 HB2 LYS 47 22.335 14.855 -27.094 376 HB3 LYS 47 HB3 LYS 47 21.068 13.930 -27.889 377 HG2 LYS 47 HG2 LYS 47 21.380 16.923 -28.005 378 HG3 LYS 47 HG3 LYS 47 21.856 15.786 -29.269 379 HD2 LYS 47 HD2 LYS 47 19.649 15.246 -29.783 380 HD3 LYS 47 HD3 LYS 47 19.044 15.835 -28.233 381 HE2 LYS 47 HE2 LYS 47 18.386 17.550 -29.593 382 HE3 LYS 47 HE3 LYS 47 19.985 18.129 -29.127 383 HZ1 LYS 47 HZ1 LYS 47 20.298 16.508 -31.371 384 HZ2 LYS 47 HZ2 LYS 47 20.522 18.181 -31.258 385 HZ3 LYS 47 HZ3 LYS 47 19.013 17.558 -31.700 386 H VAL 48 H VAL 48 20.402 12.766 -25.134 387 HA VAL 48 HA VAL 48 17.704 12.100 -26.119 388 HB VAL 48 HB VAL 48 19.645 10.716 -26.994 389 HG11 VAL 48 HG11 VAL 48 20.734 9.168 -25.619 390 HG12 VAL 48 HG12 VAL 48 20.728 10.659 -24.675 391 HG13 VAL 48 HG13 VAL 48 19.572 9.378 -24.309 392 HG21 VAL 48 HG21 VAL 48 18.089 9.180 -27.412 393 HG22 VAL 48 HG22 VAL 48 18.055 8.675 -25.722 394 HG23 VAL 48 HG23 VAL 48 17.043 10.015 -26.263 395 H CYS 49 H CYS 49 18.539 13.463 -23.595 396 HA CYS 49 HA CYS 49 17.899 13.497 -21.414 397 HB2 CYS 49 HB2 CYS 49 15.983 11.688 -22.707 398 HB3 CYS 49 HB3 CYS 49 16.161 11.416 -20.978 399 HG CYS 49 HG CYS 49 15.233 14.348 -22.478 400 HA PRO 50 HA PRO 50 20.381 10.677 -19.153 401 HB2 PRO 50 HB2 PRO 50 19.084 10.476 -16.776 402 HB3 PRO 50 HB3 PRO 50 19.956 11.930 -17.274 403 HG2 PRO 50 HG2 PRO 50 17.022 11.348 -17.388 404 HG3 PRO 50 HG3 PRO 50 17.849 12.834 -16.885 405 HD2 PRO 50 HD2 PRO 50 16.737 12.545 -19.337 406 HD3 PRO 50 HD3 PRO 50 18.186 13.531 -19.056 407 H ASN 51 H ASN 51 19.763 8.913 -20.671 408 HA ASN 51 HA ASN 51 19.229 6.731 -21.033 409 HB2 ASN 51 HB2 ASN 51 18.506 6.547 -18.108 410 HB3 ASN 51 HB3 ASN 51 19.044 5.251 -19.173 411 HD21 ASN 51 HD21 ASN 51 21.178 6.483 -20.417 412 HD22 ASN 51 HD22 ASN 51 22.422 6.770 -19.253 413 H ARG 52 H ARG 52 17.476 6.651 -22.296 414 HA ARG 52 HA ARG 52 14.839 6.802 -20.989 415 HB2 ARG 52 HB2 ARG 52 15.706 7.834 -23.686 416 HB3 ARG 52 HB3 ARG 52 14.015 7.577 -23.276 417 HG2 ARG 52 HG2 ARG 52 14.628 9.073 -21.204 418 HG3 ARG 52 HG3 ARG 52 15.923 9.621 -22.271 419 HD2 ARG 52 HD2 ARG 52 13.033 9.552 -23.107 420 HD3 ARG 52 HD3 ARG 52 13.770 10.954 -22.332 421 HE ARG 52 HE ARG 52 15.181 10.005 -24.658 422 HH11 ARG 52 HH11 ARG 52 12.667 12.095 -23.462 423 HH12 ARG 52 HH12 ARG 52 12.723 13.160 -24.828 424 HH21 ARG 52 HH21 ARG 52 15.264 11.399 -26.461 425 HH22 ARG 52 HH22 ARG 52 14.200 12.762 -26.534 426 H CYS 53 H CYS 53 16.639 4.504 -21.590 427 HA CYS 53 HA CYS 53 15.028 3.047 -23.561 428 HB2 CYS 53 HB2 CYS 53 17.384 2.916 -24.003 429 HB3 CYS 53 HB3 CYS 53 17.728 2.468 -22.337 430 HG CYS 53 HG CYS 53 16.386 -0.030 -22.579 431 H ASP 54 H ASP 54 16.775 1.864 -20.712 432 HA ASP 54 HA ASP 54 14.599 1.322 -19.069 433 HB2 ASP 54 HB2 ASP 54 14.871 -0.532 -21.286 434 HB3 ASP 54 HB3 ASP 54 15.013 -1.357 -19.736 435 H LEU 55 H LEU 55 17.358 -0.640 -20.201 436 HA LEU 55 HA LEU 55 18.164 -1.360 -17.580 437 HB2 LEU 55 HB2 LEU 55 20.109 -2.318 -18.620 438 HB3 LEU 55 HB3 LEU 55 18.680 -2.688 -19.583 439 HG LEU 55 HG LEU 55 19.843 -0.316 -20.626 440 HD11 LEU 55 HD11 LEU 55 22.057 -0.651 -20.793 441 HD12 LEU 55 HD12 LEU 55 21.888 -2.401 -20.935 442 HD13 LEU 55 HD13 LEU 55 21.830 -1.636 -19.347 443 HD21 LEU 55 HD21 LEU 55 18.487 -1.953 -21.846 444 HD22 LEU 55 HD22 LEU 55 19.785 -3.137 -21.694 445 HD23 LEU 55 HD23 LEU 55 20.037 -1.669 -22.639 446 H ALA 56 H ALA 56 18.975 1.280 -19.717 447 HA ALA 56 HA ALA 56 21.253 2.143 -18.187 448 HB1 ALA 56 HB1 ALA 56 19.698 3.438 -20.417 449 HB2 ALA 56 HB2 ALA 56 21.112 4.168 -19.656 450 HB3 ALA 56 HB3 ALA 56 21.266 2.637 -20.517 451 H THR 57 H THR 57 17.832 2.789 -18.228 452 HA THR 57 HA THR 57 18.030 5.160 -16.592 453 HB THR 57 HB THR 57 15.515 3.579 -17.103 454 HG1 THR 57 HG1 THR 57 16.265 3.971 -19.139 455 HG21 THR 57 HG21 THR 57 14.560 5.934 -17.029 456 HG22 THR 57 HG22 THR 57 16.130 6.444 -16.409 457 HG23 THR 57 HG23 THR 57 15.158 5.284 -15.502 458 H ALA 58 H ALA 58 16.912 1.815 -16.142 459 HA ALA 58 HA ALA 58 16.246 2.088 -13.412 460 HB1 ALA 58 HB1 ALA 58 16.368 -0.411 -13.390 461 HB2 ALA 58 HB2 ALA 58 15.331 0.265 -14.647 462 HB3 ALA 58 HB3 ALA 58 16.936 -0.338 -15.058 463 H ALA 59 H ALA 59 19.201 1.035 -15.054 464 HA ALA 59 HA ALA 59 20.603 0.341 -12.681 465 HB1 ALA 59 HB1 ALA 59 21.212 -0.556 -14.875 466 HB2 ALA 59 HB2 ALA 59 21.699 1.057 -15.398 467 HB3 ALA 59 HB3 ALA 59 22.578 0.248 -14.101 468 H ASP 60 H ASP 60 20.311 3.286 -14.581 469 HA ASP 60 HA ASP 60 22.397 4.736 -13.360 470 HB2 ASP 60 HB2 ASP 60 21.595 5.640 -15.372 471 HB3 ASP 60 HB3 ASP 60 19.914 5.533 -14.856 472 H ARG 61 H ARG 61 18.956 4.431 -12.591 473 HA ARG 61 HA ARG 61 18.833 6.345 -10.555 474 HB2 ARG 61 HB2 ARG 61 17.187 4.115 -11.492 475 HB3 ARG 61 HB3 ARG 61 17.043 4.401 -9.763 476 HG2 ARG 61 HG2 ARG 61 15.348 5.612 -11.035 477 HG3 ARG 61 HG3 ARG 61 16.425 6.710 -10.170 478 HD2 ARG 61 HD2 ARG 61 17.288 6.042 -12.892 479 HD3 ARG 61 HD3 ARG 61 15.763 6.923 -12.803 480 HE ARG 61 HE ARG 61 18.375 7.952 -12.279 481 HH11 ARG 61 HH11 ARG 61 15.010 8.257 -11.437 482 HH12 ARG 61 HH12 ARG 61 15.146 9.917 -10.960 483 HH21 ARG 61 HH21 ARG 61 18.566 10.137 -11.653 484 HH22 ARG 61 HH22 ARG 61 17.168 10.986 -11.084 485 H ALA 62 H ALA 62 19.418 2.840 -10.343 486 HA ALA 62 HA ALA 62 19.818 2.823 -7.535 487 HB1 ALA 62 HB1 ALA 62 21.154 0.720 -9.096 488 HB2 ALA 62 HB2 ALA 62 20.016 0.593 -7.755 489 HB3 ALA 62 HB3 ALA 62 19.424 0.896 -9.388 490 H ALA 63 H ALA 63 22.089 2.751 -10.275 491 HA ALA 63 HA ALA 63 24.467 2.634 -8.854 492 HB1 ALA 63 HB1 ALA 63 25.544 3.521 -10.822 493 HB2 ALA 63 HB2 ALA 63 24.269 2.402 -11.306 494 HB3 ALA 63 HB3 ALA 63 24.007 4.142 -11.424 495 H LYS 64 H LYS 64 22.434 5.410 -9.607 496 HA LYS 64 HA LYS 64 24.195 7.448 -8.844 497 HB2 LYS 64 HB2 LYS 64 21.214 7.218 -9.014 498 HB3 LYS 64 HB3 LYS 64 21.929 8.649 -8.283 499 HG2 LYS 64 HG2 LYS 64 23.210 8.037 -10.787 500 HG3 LYS 64 HG3 LYS 64 21.463 8.184 -10.988 501 HD2 LYS 64 HD2 LYS 64 22.269 10.363 -11.286 502 HD3 LYS 64 HD3 LYS 64 21.672 10.341 -9.625 503 HE2 LYS 64 HE2 LYS 64 23.766 10.473 -8.727 504 HE3 LYS 64 HE3 LYS 64 24.519 9.631 -10.081 505 HZ1 LYS 64 HZ1 LYS 64 24.193 11.644 -11.422 506 HZ2 LYS 64 HZ2 LYS 64 25.179 11.927 -10.077 507 HZ3 LYS 64 HZ3 LYS 64 23.569 12.444 -10.068 508 H GLY 65 H GLY 65 22.503 5.130 -6.965 509 HA2 GLY 65 HA2 GLY 65 23.425 4.887 -4.672 510 HA3 GLY 65 HA3 GLY 65 23.207 6.623 -4.512 511 H ALA 66 H ALA 66 20.771 4.908 -6.221 512 HA ALA 66 HA ALA 66 18.544 4.641 -5.798 513 HB1 ALA 66 HB1 ALA 66 19.559 3.722 -3.110 514 HB2 ALA 66 HB2 ALA 66 18.002 3.326 -3.840 515 HB3 ALA 66 HB3 ALA 66 19.494 2.730 -4.567 516 H TYR 67 H TYR 67 18.606 7.116 -5.812 517 HA TYR 67 HA TYR 67 18.540 8.713 -3.575 518 HB2 TYR 67 HB2 TYR 67 18.101 9.118 -6.233 519 HB3 TYR 67 HB3 TYR 67 16.486 9.373 -5.584 520 HD1 TYR 67 HD1 TYR 67 16.904 10.699 -3.067 521 HD2 TYR 67 HD2 TYR 67 19.040 11.173 -6.716 522 HE1 TYR 67 HE1 TYR 67 17.529 12.982 -2.398 523 HE2 TYR 67 HE2 TYR 67 19.672 13.457 -6.056 524 HH TYR 67 HH TYR 67 18.385 14.949 -3.139 525 H GLY 68 H GLY 68 17.488 8.157 -1.757 526 HA2 GLY 68 HA2 GLY 68 14.947 6.847 -1.754 527 HA3 GLY 68 HA3 GLY 68 15.787 7.490 -0.352 528 H TYR 69 H TYR 69 13.758 8.243 0.442 529 HA TYR 69 HA TYR 69 12.145 9.803 0.809 530 HB2 TYR 69 HB2 TYR 69 14.435 11.184 0.380 531 HB3 TYR 69 HB3 TYR 69 13.423 11.856 -0.894 532 HD1 TYR 69 HD1 TYR 69 10.787 11.550 0.700 533 HD2 TYR 69 HD2 TYR 69 14.587 13.202 1.668 534 HE1 TYR 69 HE1 TYR 69 9.715 13.042 2.335 535 HE2 TYR 69 HE2 TYR 69 13.526 14.698 3.306 536 HH TYR 69 HH TYR 69 10.211 15.237 3.426 537 H ASP 70 H ASP 70 10.463 8.862 -0.312 538 HA ASP 70 HA ASP 70 9.717 10.225 -2.780 539 HB2 ASP 70 HB2 ASP 70 10.862 7.733 -2.941 540 HB3 ASP 70 HB3 ASP 70 9.143 7.350 -2.896 541 H VAL 71 H VAL 71 7.691 10.902 -2.612 542 HA VAL 71 HA VAL 71 6.033 10.247 -0.426 543 HB VAL 71 HB VAL 71 5.937 12.388 -1.727 544 HG11 VAL 71 HG11 VAL 71 5.761 10.859 -3.926 545 HG12 VAL 71 HG12 VAL 71 4.049 11.196 -3.658 546 HG13 VAL 71 HG13 VAL 71 5.190 12.526 -3.856 547 HG21 VAL 71 HG21 VAL 71 3.376 12.461 -1.709 548 HG22 VAL 71 HG22 VAL 71 3.463 10.786 -1.162 549 HG23 VAL 71 HG23 VAL 71 4.194 12.068 -0.197 550 H GLN 72 H GLN 72 6.392 8.879 -3.593 551 HA GLN 72 HA GLN 72 4.872 6.586 -2.938 552 HB2 GLN 72 HB2 GLN 72 3.205 8.593 -3.588 553 HB3 GLN 72 HB3 GLN 72 3.543 7.972 -5.198 554 HG2 GLN 72 HG2 GLN 72 1.936 6.492 -4.848 555 HG3 GLN 72 HG3 GLN 72 3.025 5.703 -3.707 556 HE21 GLN 72 HE21 GLN 72 2.947 6.528 -1.463 557 HE22 GLN 72 HE22 GLN 72 1.411 6.993 -0.825 558 H LEU 73 H LEU 73 7.431 6.932 -3.862 559 HA LEU 73 HA LEU 73 8.920 6.301 -5.467 560 HB2 LEU 73 HB2 LEU 73 6.631 4.508 -6.264 561 HB3 LEU 73 HB3 LEU 73 8.315 4.300 -6.741 562 HG LEU 73 HG LEU 73 8.032 2.742 -5.043 563 HD11 LEU 73 HD11 LEU 73 8.919 5.007 -3.316 564 HD12 LEU 73 HD12 LEU 73 9.888 4.544 -4.714 565 HD13 LEU 73 HD13 LEU 73 9.559 3.368 -3.442 566 HD21 LEU 73 HD21 LEU 73 6.650 2.908 -3.214 567 HD22 LEU 73 HD22 LEU 73 5.790 3.917 -4.377 568 HD23 LEU 73 HD23 LEU 73 6.788 4.665 -3.130 569 H THR 74 H THR 74 7.513 8.621 -6.120 570 HA THR 74 HA THR 74 6.411 8.577 -8.724 571 HB THR 74 HB THR 74 7.723 10.912 -7.320 572 HG1 THR 74 HG1 THR 74 5.495 11.358 -6.717 573 HG21 THR 74 HG21 THR 74 6.447 10.609 -9.893 574 HG22 THR 74 HG22 THR 74 7.284 12.005 -9.216 575 HG23 THR 74 HG23 THR 74 5.569 11.760 -8.886 576 H THR 75 H THR 75 9.659 8.617 -7.544 577 HA THR 75 HA THR 75 10.971 9.739 -9.765 578 HB THR 75 HB THR 75 12.993 8.585 -8.947 579 HG1 THR 75 HG1 THR 75 11.173 7.366 -7.118 580 HG21 THR 75 HG21 THR 75 12.709 10.594 -7.834 581 HG22 THR 75 HG22 THR 75 12.773 9.451 -6.492 582 HG23 THR 75 HG23 THR 75 11.218 10.070 -7.051 583 H LEU 76 H LEU 76 10.318 6.338 -8.936 584 HA LEU 76 HA LEU 76 11.406 5.339 -11.381 585 HB2 LEU 76 HB2 LEU 76 10.541 4.271 -8.931 586 HB3 LEU 76 HB3 LEU 76 9.531 3.532 -10.171 587 HG LEU 76 HG LEU 76 12.361 3.503 -10.860 588 HD11 LEU 76 HD11 LEU 76 11.527 2.640 -8.178 589 HD12 LEU 76 HD12 LEU 76 13.125 3.060 -8.794 590 HD13 LEU 76 HD13 LEU 76 12.457 1.456 -9.098 591 HD21 LEU 76 HD21 LEU 76 9.999 1.720 -10.897 592 HD22 LEU 76 HD22 LEU 76 11.585 0.949 -10.850 593 HD23 LEU 76 HD23 LEU 76 11.185 2.064 -12.157 594 H LYS 77 H LYS 77 8.162 6.076 -10.208 595 HA LYS 77 HA LYS 77 6.744 4.989 -12.393 596 HB2 LYS 77 HB2 LYS 77 6.107 6.277 -9.988 597 HB3 LYS 77 HB3 LYS 77 5.432 7.301 -11.248 598 HG2 LYS 77 HG2 LYS 77 3.672 5.940 -11.159 599 HG3 LYS 77 HG3 LYS 77 4.674 4.807 -12.069 600 HD2 LYS 77 HD2 LYS 77 4.809 4.884 -9.078 601 HD3 LYS 77 HD3 LYS 77 3.507 4.011 -9.890 602 HE2 LYS 77 HE2 LYS 77 5.089 2.355 -9.637 603 HE3 LYS 77 HE3 LYS 77 5.453 2.945 -11.258 604 HZ1 LYS 77 HZ1 LYS 77 7.474 3.534 -10.611 605 HZ2 LYS 77 HZ2 LYS 77 7.190 2.771 -9.128 606 HZ3 LYS 77 HZ3 LYS 77 6.879 4.424 -9.301 607 H GLU 78 H GLU 78 8.218 8.130 -11.824 608 HA GLU 78 HA GLU 78 7.088 9.345 -14.163 609 HB2 GLU 78 HB2 GLU 78 7.761 10.668 -12.193 610 HB3 GLU 78 HB3 GLU 78 9.437 10.215 -12.470 611 HG2 GLU 78 HG2 GLU 78 8.334 11.336 -14.861 612 HG3 GLU 78 HG3 GLU 78 8.052 12.422 -13.501 613 H ASP 79 H ASP 79 9.879 7.432 -13.459 614 HA ASP 79 HA ASP 79 11.350 8.191 -15.812 615 HB2 ASP 79 HB2 ASP 79 11.734 6.348 -13.536 616 HB3 ASP 79 HB3 ASP 79 12.484 5.844 -15.048 617 H ILE 80 H ILE 80 9.458 5.356 -14.811 618 HA ILE 80 HA ILE 80 9.805 3.844 -17.140 619 HB ILE 80 HB ILE 80 8.889 2.834 -15.146 620 HG12 ILE 80 HG12 ILE 80 6.980 1.624 -16.130 621 HG13 ILE 80 HG13 ILE 80 6.855 2.849 -17.388 622 HG21 ILE 80 HG21 ILE 80 6.402 4.478 -15.583 623 HG22 ILE 80 HG22 ILE 80 6.723 3.356 -14.262 624 HG23 ILE 80 HG23 ILE 80 7.645 4.854 -14.390 625 HD11 ILE 80 HD11 ILE 80 8.118 0.562 -17.765 626 HD12 ILE 80 HD12 ILE 80 8.655 2.062 -18.521 627 HD13 ILE 80 HD13 ILE 80 9.456 1.472 -17.064 628 H ARG 81 H ARG 81 7.388 6.286 -16.303 629 HA ARG 81 HA ARG 81 5.854 5.954 -18.681 630 HB2 ARG 81 HB2 ARG 81 4.554 7.744 -17.929 631 HB3 ARG 81 HB3 ARG 81 5.140 7.010 -16.442 632 HG2 ARG 81 HG2 ARG 81 5.590 9.161 -15.933 633 HG3 ARG 81 HG3 ARG 81 7.079 8.804 -16.811 634 HD2 ARG 81 HD2 ARG 81 6.506 10.682 -17.936 635 HD3 ARG 81 HD3 ARG 81 5.531 9.544 -18.864 636 HE ARG 81 HE ARG 81 3.845 10.289 -16.906 637 HH11 ARG 81 HH11 ARG 81 5.849 12.103 -19.100 638 HH12 ARG 81 HH12 ARG 81 4.785 13.470 -19.148 639 HH21 ARG 81 HH21 ARG 81 2.436 12.083 -16.961 640 HH22 ARG 81 HH22 ARG 81 2.845 13.458 -17.930 641 H LEU 82 H LEU 82 8.625 7.879 -17.790 642 HA LEU 82 HA LEU 82 8.503 9.697 -19.972 643 HB2 LEU 82 HB2 LEU 82 9.775 10.043 -17.849 644 HB3 LEU 82 HB3 LEU 82 10.937 8.844 -18.413 645 HG LEU 82 HG LEU 82 11.571 11.287 -18.687 646 HD11 LEU 82 HD11 LEU 82 12.895 10.770 -20.473 647 HD12 LEU 82 HD12 LEU 82 11.591 9.975 -21.355 648 HD13 LEU 82 HD13 LEU 82 12.374 9.151 -20.006 649 HD21 LEU 82 HD21 LEU 82 9.887 11.259 -21.149 650 HD22 LEU 82 HD22 LEU 82 10.556 12.625 -20.256 651 HD23 LEU 82 HD23 LEU 82 9.168 11.746 -19.614 652 H MET 83 H MET 83 10.169 6.622 -19.436 653 HA MET 83 HA MET 83 11.642 6.623 -21.844 654 HB2 MET 83 HB2 MET 83 10.699 4.322 -20.127 655 HB3 MET 83 HB3 MET 83 11.853 4.172 -21.445 656 HG2 MET 83 HG2 MET 83 13.424 5.584 -20.293 657 HG3 MET 83 HG3 MET 83 12.253 5.899 -19.015 658 HE1 MET 83 HE1 MET 83 11.774 3.608 -16.924 659 HE2 MET 83 HE2 MET 83 13.462 3.834 -16.463 660 HE3 MET 83 HE3 MET 83 12.528 5.196 -17.082 661 H VAL 84 H VAL 84 8.612 4.953 -20.981 662 HA VAL 84 HA VAL 84 8.075 3.791 -23.439 663 HB VAL 84 HB VAL 84 6.778 3.245 -21.457 664 HG11 VAL 84 HG11 VAL 84 5.108 4.748 -20.548 665 HG12 VAL 84 HG12 VAL 84 6.698 5.510 -20.494 666 HG13 VAL 84 HG13 VAL 84 5.536 5.979 -21.735 667 HG21 VAL 84 HG21 VAL 84 4.942 2.680 -22.633 668 HG22 VAL 84 HG22 VAL 84 4.619 4.343 -23.123 669 HG23 VAL 84 HG23 VAL 84 5.823 3.387 -23.988 670 H ASN 85 H ASN 85 7.446 7.069 -22.322 671 HA ASN 85 HA ASN 85 5.763 7.924 -24.382 672 HB2 ASN 85 HB2 ASN 85 7.548 9.249 -22.412 673 HB3 ASN 85 HB3 ASN 85 7.060 10.208 -23.806 674 HD21 ASN 85 HD21 ASN 85 6.380 10.115 -20.822 675 HD22 ASN 85 HD22 ASN 85 4.655 10.217 -20.803 676 H ASN 86 H ASN 86 9.305 8.181 -24.110 677 HA ASN 86 HA ASN 86 9.588 9.227 -26.764 678 HB2 ASN 86 HB2 ASN 86 11.159 9.367 -24.595 679 HB3 ASN 86 HB3 ASN 86 11.918 7.992 -25.392 680 HD21 ASN 86 HD21 ASN 86 13.500 8.478 -26.714 681 HD22 ASN 86 HD22 ASN 86 13.701 9.969 -27.564 682 H CYS 87 H CYS 87 9.297 6.105 -25.410 683 HA CYS 87 HA CYS 87 10.792 4.582 -27.237 684 HB2 CYS 87 HB2 CYS 87 9.686 3.852 -25.027 685 HB3 CYS 87 HB3 CYS 87 8.227 3.628 -25.983 686 HG CYS 87 HG CYS 87 10.913 2.126 -27.286 687 H ILE 88 H ILE 88 7.237 4.866 -27.157 688 HA ILE 88 HA ILE 88 6.926 3.936 -29.817 689 HB ILE 88 HB ILE 88 4.587 4.586 -29.607 690 HG12 ILE 88 HG12 ILE 88 4.155 5.503 -27.087 691 HG13 ILE 88 HG13 ILE 88 5.686 6.289 -27.456 692 HG21 ILE 88 HG21 ILE 88 4.121 2.861 -28.251 693 HG22 ILE 88 HG22 ILE 88 5.872 2.683 -28.151 694 HG23 ILE 88 HG23 ILE 88 5.002 3.561 -26.893 695 HD11 ILE 88 HD11 ILE 88 4.600 7.839 -28.587 696 HD12 ILE 88 HD12 ILE 88 4.002 6.610 -29.701 697 HD13 ILE 88 HD13 ILE 88 3.072 7.024 -28.260 698 H LEU 89 H LEU 89 7.325 7.101 -28.402 699 HA LEU 89 HA LEU 89 6.437 8.613 -30.632 700 HB2 LEU 89 HB2 LEU 89 6.643 9.502 -28.337 701 HB3 LEU 89 HB3 LEU 89 8.397 9.390 -28.475 702 HG LEU 89 HG LEU 89 7.480 10.935 -30.662 703 HD11 LEU 89 HD11 LEU 89 6.156 12.615 -29.769 704 HD12 LEU 89 HD12 LEU 89 6.522 12.160 -28.105 705 HD13 LEU 89 HD13 LEU 89 5.452 11.153 -29.079 706 HD21 LEU 89 HD21 LEU 89 9.653 11.003 -29.378 707 HD22 LEU 89 HD22 LEU 89 8.794 11.924 -28.143 708 HD23 LEU 89 HD23 LEU 89 8.945 12.569 -29.777 709 H PHE 90 H PHE 90 9.769 8.225 -29.413 710 HA PHE 90 HA PHE 90 11.003 9.159 -31.753 711 HB2 PHE 90 HB2 PHE 90 11.917 8.683 -29.301 712 HB3 PHE 90 HB3 PHE 90 12.421 7.169 -30.045 713 HD1 PHE 90 HD1 PHE 90 12.674 10.853 -30.381 714 HD2 PHE 90 HD2 PHE 90 14.363 7.063 -31.329 715 HE1 PHE 90 HE1 PHE 90 14.664 11.973 -31.296 716 HE2 PHE 90 HE2 PHE 90 16.356 8.176 -32.245 717 HZ PHE 90 HZ PHE 90 16.509 10.634 -32.228 718 H ASN 91 H ASN 91 10.861 5.799 -30.556 719 HA ASN 91 HA ASN 91 10.045 4.638 -32.955 720 HB2 ASN 91 HB2 ASN 91 12.757 5.464 -33.039 721 HB3 ASN 91 HB3 ASN 91 12.755 3.706 -32.923 722 HD21 ASN 91 HD21 ASN 91 10.868 2.765 -34.370 723 HD22 ASN 91 HD22 ASN 91 10.902 3.328 -36.003 724 H GLY 92 H GLY 92 8.929 3.123 -31.868 725 HA2 GLY 92 HA2 GLY 92 10.449 1.055 -30.497 726 HA3 GLY 92 HA3 GLY 92 9.272 1.915 -29.515 727 H ALA 93 H ALA 93 7.015 1.940 -30.366 728 HA ALA 93 HA ALA 93 6.359 -0.728 -31.371 729 HB1 ALA 93 HB1 ALA 93 4.795 -0.652 -29.802 730 HB2 ALA 93 HB2 ALA 93 5.196 1.027 -29.438 731 HB3 ALA 93 HB3 ALA 93 4.006 0.655 -30.685 732 H GLU 94 H GLU 94 4.744 2.424 -31.749 733 HA GLU 94 HA GLU 94 3.786 3.433 -33.550 734 HB2 GLU 94 HB2 GLU 94 6.369 2.889 -34.260 735 HB3 GLU 94 HB3 GLU 94 5.477 2.109 -35.559 736 HG2 GLU 94 HG2 GLU 94 5.355 4.082 -36.547 737 HG3 GLU 94 HG3 GLU 94 4.260 4.588 -35.262 738 H GLY 95 H GLY 95 3.078 0.581 -32.754 739 HA2 GLY 95 HA2 GLY 95 0.938 0.166 -34.454 740 HA3 GLY 95 HA3 GLY 95 2.265 -0.768 -35.128 741 H ALA 96 H ALA 96 3.384 -1.261 -32.421 742 HA ALA 96 HA ALA 96 1.384 -3.213 -31.479 743 HB1 ALA 96 HB1 ALA 96 3.033 -4.504 -32.546 744 HB2 ALA 96 HB2 ALA 96 4.346 -3.548 -31.857 745 HB3 ALA 96 HB3 ALA 96 3.398 -4.618 -30.824 746 H TYR 97 H TYR 97 0.998 -1.092 -30.173 747 HA TYR 97 HA TYR 97 2.699 -0.176 -28.204 748 HB2 TYR 97 HB2 TYR 97 0.667 0.536 -26.989 749 HB3 TYR 97 HB3 TYR 97 0.585 0.921 -28.705 750 HD1 TYR 97 HD1 TYR 97 -0.686 -1.326 -26.071 751 HD2 TYR 97 HD2 TYR 97 -1.081 -0.056 -30.112 752 HE1 TYR 97 HE1 TYR 97 -2.837 -2.508 -26.225 753 HE2 TYR 97 HE2 TYR 97 -3.234 -1.234 -30.278 754 HH TYR 97 HH TYR 97 -4.929 -2.349 -27.614 755 H ALA 98 H ALA 98 0.843 -3.120 -28.308 756 HA ALA 98 HA ALA 98 0.761 -3.826 -25.626 757 HB1 ALA 98 HB1 ALA 98 -0.458 -5.169 -27.110 758 HB2 ALA 98 HB2 ALA 98 0.952 -5.480 -28.124 759 HB3 ALA 98 HB3 ALA 98 0.838 -6.213 -26.524 760 H ASP 99 H ASP 99 3.422 -3.906 -27.886 761 HA ASP 99 HA ASP 99 5.142 -5.607 -26.433 762 HB2 ASP 99 HB2 ASP 99 5.605 -3.488 -28.519 763 HB3 ASP 99 HB3 ASP 99 6.953 -4.327 -27.757 764 H ALA 100 H ALA 100 4.590 -2.126 -26.339 765 HA ALA 100 HA ALA 100 6.712 -1.650 -24.451 766 HB1 ALA 100 HB1 ALA 100 4.889 -0.049 -26.036 767 HB2 ALA 100 HB2 ALA 100 5.058 0.567 -24.392 768 HB3 ALA 100 HB3 ALA 100 6.486 0.350 -25.403 769 H ALA 101 H ALA 101 3.370 -2.496 -24.310 770 HA ALA 101 HA ALA 101 2.829 -1.524 -21.688 771 HB1 ALA 101 HB1 ALA 101 0.770 -2.005 -22.354 772 HB2 ALA 101 HB2 ALA 101 1.397 -2.875 -23.755 773 HB3 ALA 101 HB3 ALA 101 1.148 -3.723 -22.229 774 H ARG 102 H ARG 102 4.214 -4.460 -22.978 775 HA ARG 102 HA ARG 102 3.924 -6.123 -20.738 776 HB2 ARG 102 HB2 ARG 102 4.712 -6.715 -23.114 777 HB3 ARG 102 HB3 ARG 102 6.306 -6.203 -22.575 778 HG2 ARG 102 HG2 ARG 102 6.089 -8.600 -22.394 779 HG3 ARG 102 HG3 ARG 102 6.228 -7.882 -20.788 780 HD2 ARG 102 HD2 ARG 102 3.866 -8.098 -20.424 781 HD3 ARG 102 HD3 ARG 102 3.612 -8.620 -22.089 782 HE ARG 102 HE ARG 102 5.411 -10.346 -20.722 783 HH11 ARG 102 HH11 ARG 102 2.038 -9.559 -21.072 784 HH12 ARG 102 HH12 ARG 102 1.488 -11.144 -20.638 785 HH21 ARG 102 HH21 ARG 102 4.700 -12.437 -20.149 786 HH22 ARG 102 HH22 ARG 102 3.004 -12.779 -20.112 787 H THR 103 H THR 103 6.674 -4.078 -21.714 788 HA THR 103 HA THR 103 8.247 -4.597 -19.436 789 HB THR 103 HB THR 103 9.274 -3.669 -21.414 790 HG1 THR 103 HG1 THR 103 10.638 -2.630 -20.177 791 HG21 THR 103 HG21 THR 103 8.855 -1.349 -22.115 792 HG22 THR 103 HG22 THR 103 7.588 -1.216 -20.897 793 HG23 THR 103 HG23 THR 103 7.402 -2.341 -22.242 794 H PHE 104 H PHE 104 5.740 -2.232 -20.095 795 HA PHE 104 HA PHE 104 6.189 -0.505 -17.935 796 HB2 PHE 104 HB2 PHE 104 4.693 0.128 -19.726 797 HB3 PHE 104 HB3 PHE 104 3.624 -1.224 -19.365 798 HD1 PHE 104 HD1 PHE 104 4.906 1.991 -18.070 799 HD2 PHE 104 HD2 PHE 104 1.934 -1.038 -17.743 800 HE1 PHE 104 HE1 PHE 104 3.614 3.428 -16.548 801 HE2 PHE 104 HE2 PHE 104 0.636 0.394 -16.221 802 HZ PHE 104 HZ PHE 104 1.476 2.630 -15.620 803 H GLU 105 H GLU 105 3.966 -3.278 -18.194 804 HA GLU 105 HA GLU 105 2.934 -3.208 -15.622 805 HB2 GLU 105 HB2 GLU 105 3.480 -5.578 -17.413 806 HB3 GLU 105 HB3 GLU 105 2.542 -5.668 -15.928 807 HG2 GLU 105 HG2 GLU 105 1.467 -3.558 -17.457 808 HG3 GLU 105 HG3 GLU 105 1.699 -4.927 -18.544 809 H LYS 106 H LYS 106 5.899 -4.716 -16.810 810 HA LYS 106 HA LYS 106 6.657 -6.152 -14.570 811 HB2 LYS 106 HB2 LYS 106 7.971 -5.068 -16.933 812 HB3 LYS 106 HB3 LYS 106 9.042 -5.106 -15.538 813 HG2 LYS 106 HG2 LYS 106 9.224 -7.137 -16.875 814 HG3 LYS 106 HG3 LYS 106 8.622 -7.480 -15.251 815 HD2 LYS 106 HD2 LYS 106 6.727 -8.340 -16.053 816 HD3 LYS 106 HD3 LYS 106 6.456 -6.938 -17.091 817 HE2 LYS 106 HE2 LYS 106 6.695 -8.546 -18.690 818 HE3 LYS 106 HE3 LYS 106 8.383 -8.070 -18.507 819 HZ1 LYS 106 HZ1 LYS 106 8.361 -10.399 -18.441 820 HZ2 LYS 106 HZ2 LYS 106 7.032 -10.458 -17.396 821 HZ3 LYS 106 HZ3 LYS 106 8.534 -9.927 -16.826 822 H PHE 107 H PHE 107 7.419 -2.762 -15.347 823 HA PHE 107 HA PHE 107 8.930 -2.148 -13.109 824 HB2 PHE 107 HB2 PHE 107 7.267 -0.582 -15.010 825 HB3 PHE 107 HB3 PHE 107 7.727 0.213 -13.508 826 HD1 PHE 107 HD1 PHE 107 9.167 -1.666 -16.375 827 HD2 PHE 107 HD2 PHE 107 9.789 1.245 -13.332 828 HE1 PHE 107 HE1 PHE 107 11.369 -1.137 -17.336 829 HE2 PHE 107 HE2 PHE 107 11.992 1.779 -14.289 830 HZ PHE 107 HZ PHE 107 12.785 0.587 -16.293 831 H ALA 108 H ALA 108 5.413 -2.001 -13.526 832 HA ALA 108 HA ALA 108 4.799 -0.927 -11.004 833 HB1 ALA 108 HB1 ALA 108 3.365 -1.632 -13.238 834 HB2 ALA 108 HB2 ALA 108 2.798 -2.782 -12.026 835 HB3 ALA 108 HB3 ALA 108 2.687 -1.049 -11.718 836 H MET 109 H MET 109 4.880 -4.310 -12.115 837 HA MET 109 HA MET 109 4.148 -5.496 -9.691 838 HB2 MET 109 HB2 MET 109 4.408 -6.534 -12.052 839 HB3 MET 109 HB3 MET 109 6.087 -6.783 -11.592 840 HG2 MET 109 HG2 MET 109 4.645 -7.760 -9.440 841 HG3 MET 109 HG3 MET 109 3.720 -8.267 -10.852 842 HE1 MET 109 HE1 MET 109 5.721 -9.883 -8.488 843 HE2 MET 109 HE2 MET 109 4.434 -10.627 -9.437 844 HE3 MET 109 HE3 MET 109 6.069 -11.284 -9.502 845 H GLY 110 H GLY 110 7.348 -4.658 -10.974 846 HA2 GLY 110 HA2 GLY 110 8.903 -5.798 -8.947 847 HA3 GLY 110 HA3 GLY 110 9.381 -4.426 -9.936 848 H LYS 111 H LYS 111 7.284 -2.669 -9.091 849 HA LYS 111 HA LYS 111 8.497 -1.501 -6.846 850 HB2 LYS 111 HB2 LYS 111 7.054 -0.355 -8.582 851 HB3 LYS 111 HB3 LYS 111 5.657 -1.026 -7.752 852 HG2 LYS 111 HG2 LYS 111 7.566 0.448 -6.062 853 HG3 LYS 111 HG3 LYS 111 6.674 1.406 -7.246 854 HD2 LYS 111 HD2 LYS 111 4.817 -0.347 -6.052 855 HD3 LYS 111 HD3 LYS 111 5.781 0.340 -4.743 856 HE2 LYS 111 HE2 LYS 111 4.257 2.005 -4.899 857 HE3 LYS 111 HE3 LYS 111 5.338 2.560 -6.177 858 HZ1 LYS 111 HZ1 LYS 111 3.913 1.299 -7.759 859 HZ2 LYS 111 HZ2 LYS 111 3.133 2.602 -7.015 860 HZ3 LYS 111 HZ3 LYS 111 2.821 1.023 -6.497 861 H ILE 112 H ILE 112 5.506 -3.394 -7.139 862 HA ILE 112 HA ILE 112 4.649 -3.245 -4.501 863 HB ILE 112 HB ILE 112 4.373 -5.600 -6.374 864 HG12 ILE 112 HG12 ILE 112 2.432 -3.339 -5.865 865 HG13 ILE 112 HG13 ILE 112 3.537 -3.386 -7.233 866 HG21 ILE 112 HG21 ILE 112 2.193 -5.786 -4.915 867 HG22 ILE 112 HG22 ILE 112 3.713 -6.494 -4.373 868 HG23 ILE 112 HG23 ILE 112 3.185 -4.941 -3.726 869 HD11 ILE 112 HD11 ILE 112 0.970 -4.602 -6.933 870 HD12 ILE 112 HD12 ILE 112 1.997 -4.493 -8.362 871 HD13 ILE 112 HD13 ILE 112 2.187 -5.840 -7.240 872 H ASP 113 H ASP 113 6.853 -5.581 -6.012 873 HA ASP 113 HA ASP 113 7.248 -7.280 -3.857 874 HB2 ASP 113 HB2 ASP 113 9.128 -6.431 -6.062 875 HB3 ASP 113 HB3 ASP 113 9.527 -7.690 -4.896 876 H ALA 114 H ALA 114 9.048 -4.332 -4.702 877 HA ALA 114 HA ALA 114 10.899 -4.381 -2.624 878 HB1 ALA 114 HB1 ALA 114 9.889 -1.720 -3.380 879 HB2 ALA 114 HB2 ALA 114 11.535 -2.352 -3.372 880 HB3 ALA 114 HB3 ALA 114 10.452 -2.732 -4.710 881 H TYR 115 H TYR 115 7.655 -2.944 -2.725 882 HA TYR 115 HA TYR 115 7.621 -1.671 -0.277 883 HB2 TYR 115 HB2 TYR 115 5.782 -1.379 -1.778 884 HB3 TYR 115 HB3 TYR 115 5.412 -3.100 -1.759 885 HD1 TYR 115 HD1 TYR 115 5.140 0.056 0.081 886 HD2 TYR 115 HD2 TYR 115 4.216 -4.097 0.102 887 HE1 TYR 115 HE1 TYR 115 3.548 0.426 1.918 888 HE2 TYR 115 HE2 TYR 115 2.619 -3.738 1.938 889 HH TYR 115 HH TYR 115 1.577 -2.227 3.203 890 H ILE 116 H ILE 116 7.066 -5.080 -1.008 891 HA ILE 116 HA ILE 116 6.276 -5.844 1.602 892 HB ILE 116 HB ILE 116 7.553 -7.545 -0.542 893 HG12 ILE 116 HG12 ILE 116 4.620 -7.185 0.095 894 HG13 ILE 116 HG13 ILE 116 5.449 -6.343 -1.209 895 HG21 ILE 116 HG21 ILE 116 6.168 -9.331 0.712 896 HG22 ILE 116 HG22 ILE 116 7.708 -8.811 1.394 897 HG23 ILE 116 HG23 ILE 116 6.196 -8.181 2.048 898 HD11 ILE 116 HD11 ILE 116 6.085 -8.677 -2.045 899 HD12 ILE 116 HD12 ILE 116 4.828 -9.256 -0.952 900 HD13 ILE 116 HD13 ILE 116 4.419 -8.139 -2.255 901 H SER 117 H SER 117 9.399 -5.686 -0.029 902 HA SER 117 HA SER 117 10.874 -6.972 2.031 903 HB2 SER 117 HB2 SER 117 11.422 -6.169 -0.544 904 HB3 SER 117 HB3 SER 117 12.367 -5.031 0.416 905 HG SER 117 HG SER 117 13.200 -6.928 1.531 906 H GLN 118 H GLN 118 9.766 -3.725 1.519 907 HA GLN 118 HA GLN 118 11.335 -2.809 3.835 908 HB2 GLN 118 HB2 GLN 118 10.931 -0.528 3.015 909 HB3 GLN 118 HB3 GLN 118 11.745 -1.516 1.810 910 HG2 GLN 118 HG2 GLN 118 9.193 -1.920 1.084 911 HG3 GLN 118 HG3 GLN 118 9.064 -0.302 1.773 912 HE21 GLN 118 HE21 GLN 118 11.525 -1.988 -0.152 913 HE22 GLN 118 HE22 GLN 118 11.630 -0.783 -1.386 914 H LYS 119 H LYS 119 9.283 -4.310 4.592 915 HA LYS 119 HA LYS 119 7.203 -2.388 5.410 916 HB2 LYS 119 HB2 LYS 119 6.443 -4.254 3.898 917 HB3 LYS 119 HB3 LYS 119 6.871 -5.381 5.178 918 HG2 LYS 119 HG2 LYS 119 5.272 -4.204 6.671 919 HG3 LYS 119 HG3 LYS 119 4.777 -3.222 5.290 920 HD2 LYS 119 HD2 LYS 119 3.195 -4.885 5.220 921 HD3 LYS 119 HD3 LYS 119 4.427 -5.563 4.153 922 HE2 LYS 119 HE2 LYS 119 5.345 -6.659 6.310 923 HE3 LYS 119 HE3 LYS 119 3.752 -6.302 6.977 924 HZ1 LYS 119 HZ1 LYS 119 3.484 -7.499 4.434 925 HZ2 LYS 119 HZ2 LYS 119 2.922 -8.051 5.932 926 HZ3 LYS 119 HZ3 LYS 119 4.475 -8.466 5.406 927 H VAL 120 H VAL 120 9.716 -4.404 6.425 928 HA VAL 120 HA VAL 120 8.779 -5.172 8.984 929 HB VAL 120 HB VAL 120 10.733 -6.211 7.855 930 HG11 VAL 120 HG11 VAL 120 11.663 -3.955 7.123 931 HG12 VAL 120 HG12 VAL 120 12.328 -3.829 8.753 932 HG13 VAL 120 HG13 VAL 120 12.824 -5.152 7.697 933 HG21 VAL 120 HG21 VAL 120 10.262 -6.190 10.397 934 HG22 VAL 120 HG22 VAL 120 11.839 -6.738 9.830 935 HG23 VAL 120 HG23 VAL 120 11.655 -5.112 10.485 936 H GLY 121 H GLY 121 9.927 -2.190 7.716 937 HA2 GLY 121 HA2 GLY 121 9.158 -0.543 9.718 938 HA3 GLY 121 HA3 GLY 121 10.734 -1.094 10.266 939 H GLY 122 H GLY 122 9.608 -0.336 6.982 940 HA2 GLY 122 HA2 GLY 122 11.295 2.049 6.946 941 HA3 GLY 122 HA3 GLY 122 11.728 0.755 5.839 942 H LEU 123 H LEU 123 8.390 1.013 6.458 943 HA LEU 123 HA LEU 123 7.611 3.025 4.686 944 HB2 LEU 123 HB2 LEU 123 8.746 0.951 3.300 945 HB3 LEU 123 HB3 LEU 123 7.031 0.551 3.239 946 HG LEU 123 HG LEU 123 6.717 2.960 2.382 947 HD11 LEU 123 HD11 LEU 123 9.682 2.589 2.054 948 HD12 LEU 123 HD12 LEU 123 8.825 3.922 2.827 949 HD13 LEU 123 HD13 LEU 123 8.743 3.719 1.077 950 HD21 LEU 123 HD21 LEU 123 8.004 1.838 0.146 951 HD22 LEU 123 HD22 LEU 123 6.289 1.782 0.553 952 HD23 LEU 123 HD23 LEU 123 7.364 0.491 1.089 953 H GLU 124 H GLU 124 6.849 -0.284 5.719 954 HA GLU 124 HA GLU 124 4.424 0.574 6.969 955 HB2 GLU 124 HB2 GLU 124 4.287 -0.255 4.240 956 HB3 GLU 124 HB3 GLU 124 3.505 -1.479 5.230 957 HG2 GLU 124 HG2 GLU 124 2.798 1.307 5.854 958 HG3 GLU 124 HG3 GLU 124 2.269 0.710 4.282 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -1.632 1.388 -0.572 2 HA MET 1 HA MET 1 0.706 0.037 -1.340 3 HB2 MET 1 HB2 MET 1 -1.282 1.758 -2.604 4 HB3 MET 1 HB3 MET 1 0.326 1.973 -3.284 5 HG2 MET 1 HG2 MET 1 -0.038 0.189 -4.534 6 HG3 MET 1 HG3 MET 1 -0.008 -0.783 -3.064 7 HE1 MET 1 HE1 MET 1 -1.553 -0.985 -6.016 8 HE2 MET 1 HE2 MET 1 -3.297 -0.744 -5.914 9 HE3 MET 1 HE3 MET 1 -2.216 0.648 -5.958 10 H SER 2 H SER 2 2.721 0.534 -0.808 11 HA SER 2 HA SER 2 4.622 1.703 -0.367 12 HB2 SER 2 HB2 SER 2 3.357 4.021 -1.833 13 HB3 SER 2 HB3 SER 2 5.075 3.665 -1.650 14 HG SER 2 HG SER 2 4.557 1.666 -2.847 15 H GLN 3 H GLN 3 5.390 3.972 0.535 16 HA GLN 3 HA GLN 3 3.448 4.815 2.584 17 HB2 GLN 3 HB2 GLN 3 5.073 3.474 3.705 18 HB3 GLN 3 HB3 GLN 3 6.401 4.270 2.870 19 HG2 GLN 3 HG2 GLN 3 6.253 5.007 5.174 20 HG3 GLN 3 HG3 GLN 3 5.929 6.338 4.064 21 HE21 GLN 3 HE21 GLN 3 5.011 7.235 6.087 22 HE22 GLN 3 HE22 GLN 3 3.355 6.894 6.442 23 H ASN 4 H ASN 4 2.866 6.843 2.206 24 HA ASN 4 HA ASN 4 4.521 8.641 0.690 25 HB2 ASN 4 HB2 ASN 4 2.636 10.275 1.209 26 HB3 ASN 4 HB3 ASN 4 2.191 8.838 0.294 27 HD21 ASN 4 HD21 ASN 4 1.036 7.181 1.333 28 HD22 ASN 4 HD22 ASN 4 0.136 7.484 2.777 29 H ARG 5 H ARG 5 6.359 8.663 2.147 30 HA ARG 5 HA ARG 5 6.386 10.950 3.808 31 HB2 ARG 5 HB2 ARG 5 5.211 9.427 5.353 32 HB3 ARG 5 HB3 ARG 5 6.554 8.296 5.247 33 HG2 ARG 5 HG2 ARG 5 7.981 10.292 6.074 34 HG3 ARG 5 HG3 ARG 5 6.430 10.960 6.589 35 HD2 ARG 5 HD2 ARG 5 6.339 9.598 8.348 36 HD3 ARG 5 HD3 ARG 5 6.687 8.186 7.351 37 HE ARG 5 HE ARG 5 9.105 9.370 7.612 38 HH11 ARG 5 HH11 ARG 5 6.663 8.383 9.890 39 HH12 ARG 5 HH12 ARG 5 7.795 8.057 11.160 40 HH21 ARG 5 HH21 ARG 5 10.605 8.943 9.277 41 HH22 ARG 5 HH22 ARG 5 10.037 8.377 10.811 42 H GLN 6 H GLN 6 8.087 7.851 4.200 43 HA GLN 6 HA GLN 6 10.505 9.102 3.095 44 HB2 GLN 6 HB2 GLN 6 11.825 8.578 4.904 45 HB3 GLN 6 HB3 GLN 6 10.306 8.937 5.714 46 HG2 GLN 6 HG2 GLN 6 11.385 6.209 5.048 47 HG3 GLN 6 HG3 GLN 6 11.288 6.948 6.645 48 HE21 GLN 6 HE21 GLN 6 10.036 4.541 5.169 49 HE22 GLN 6 HE22 GLN 6 8.370 4.635 5.618 50 H LEU 7 H LEU 7 12.074 7.620 2.264 51 HA LEU 7 HA LEU 7 10.908 5.012 1.544 52 HB2 LEU 7 HB2 LEU 7 12.430 7.033 0.024 53 HB3 LEU 7 HB3 LEU 7 12.845 5.350 -0.294 54 HG LEU 7 HG LEU 7 11.098 6.522 -1.791 55 HD11 LEU 7 HD11 LEU 7 11.133 3.805 -0.654 56 HD12 LEU 7 HD12 LEU 7 11.215 4.339 -2.333 57 HD13 LEU 7 HD13 LEU 7 9.659 4.267 -1.506 58 HD21 LEU 7 HD21 LEU 7 9.861 7.220 0.421 59 HD22 LEU 7 HD22 LEU 7 9.130 5.624 0.255 60 HD23 LEU 7 HD23 LEU 7 8.955 6.812 -1.037 61 H LEU 8 H LEU 8 11.850 3.311 2.438 62 HA LEU 8 HA LEU 8 14.050 3.350 4.100 63 HB2 LEU 8 HB2 LEU 8 12.310 1.395 2.996 64 HB3 LEU 8 HB3 LEU 8 13.964 0.806 2.837 65 HG LEU 8 HG LEU 8 12.589 1.619 5.398 66 HD11 LEU 8 HD11 LEU 8 11.732 -0.458 4.999 67 HD12 LEU 8 HD12 LEU 8 13.234 -0.903 5.808 68 HD13 LEU 8 HD13 LEU 8 13.126 -0.976 4.049 69 HD21 LEU 8 HD21 LEU 8 15.418 0.872 4.764 70 HD22 LEU 8 HD22 LEU 8 14.725 0.516 6.346 71 HD23 LEU 8 HD23 LEU 8 14.807 2.183 5.775 72 H TYR 9 H TYR 9 14.098 1.789 0.895 73 HA TYR 9 HA TYR 9 16.401 3.143 -0.020 74 HB2 TYR 9 HB2 TYR 9 16.836 0.773 1.646 75 HB3 TYR 9 HB3 TYR 9 17.627 0.680 0.076 76 HD1 TYR 9 HD1 TYR 9 18.633 3.236 -0.524 77 HD2 TYR 9 HD2 TYR 9 18.299 1.408 3.304 78 HE1 TYR 9 HE1 TYR 9 20.460 4.657 0.308 79 HE2 TYR 9 HE2 TYR 9 20.124 2.825 4.147 80 HH TYR 9 HH TYR 9 21.061 5.439 3.091 81 HA PRO 10 HA PRO 10 13.868 0.841 -3.143 82 HB2 PRO 10 HB2 PRO 10 13.559 2.973 -4.795 83 HB3 PRO 10 HB3 PRO 10 12.480 2.649 -3.433 84 HG2 PRO 10 HG2 PRO 10 14.783 4.553 -3.614 85 HG3 PRO 10 HG3 PRO 10 13.182 4.798 -2.892 86 HD2 PRO 10 HD2 PRO 10 15.378 4.235 -1.411 87 HD3 PRO 10 HD3 PRO 10 13.751 3.695 -0.950 88 H ARG 11 H ARG 11 15.108 -0.394 -4.400 89 HA ARG 11 HA ARG 11 16.580 0.562 -6.569 90 HB2 ARG 11 HB2 ARG 11 18.889 -0.140 -5.716 91 HB3 ARG 11 HB3 ARG 11 18.261 1.406 -5.162 92 HG2 ARG 11 HG2 ARG 11 17.948 0.669 -3.015 93 HG3 ARG 11 HG3 ARG 11 17.785 -1.019 -3.503 94 HD2 ARG 11 HD2 ARG 11 20.302 -0.645 -4.256 95 HD3 ARG 11 HD3 ARG 11 20.227 0.597 -3.006 96 HE ARG 11 HE ARG 11 19.217 -1.923 -2.110 97 HH11 ARG 11 HH11 ARG 11 22.118 -0.076 -2.649 98 HH12 ARG 11 HH12 ARG 11 23.044 -0.941 -1.468 99 HH21 ARG 11 HH21 ARG 11 20.426 -3.070 -0.553 100 HH22 ARG 11 HH22 ARG 11 22.081 -2.645 -0.277 101 H GLU 12 H GLU 12 16.130 -1.968 -4.182 102 HA GLU 12 HA GLU 12 17.264 -4.136 -5.468 103 HB2 GLU 12 HB2 GLU 12 15.810 -3.803 -3.193 104 HB3 GLU 12 HB3 GLU 12 14.657 -4.670 -4.197 105 HG2 GLU 12 HG2 GLU 12 16.121 -6.514 -4.446 106 HG3 GLU 12 HG3 GLU 12 17.469 -5.621 -3.744 107 H GLU 13 H GLU 13 14.326 -2.425 -6.200 108 HA GLU 13 HA GLU 13 13.397 -4.468 -8.044 109 HB2 GLU 13 HB2 GLU 13 11.516 -2.936 -8.450 110 HB3 GLU 13 HB3 GLU 13 11.739 -3.258 -6.736 111 HG2 GLU 13 HG2 GLU 13 12.931 -1.107 -6.524 112 HG3 GLU 13 HG3 GLU 13 12.582 -0.781 -8.220 113 H MET 14 H MET 14 14.778 -1.217 -8.150 114 HA MET 14 HA MET 14 14.535 -0.621 -10.824 115 HB2 MET 14 HB2 MET 14 16.503 0.077 -8.711 116 HB3 MET 14 HB3 MET 14 16.961 0.421 -10.373 117 HG2 MET 14 HG2 MET 14 14.324 1.321 -9.285 118 HG3 MET 14 HG3 MET 14 15.795 2.250 -9.002 119 HE1 MET 14 HE1 MET 14 12.945 2.431 -12.208 120 HE2 MET 14 HE2 MET 14 13.730 0.897 -12.585 121 HE3 MET 14 HE3 MET 14 13.070 1.177 -10.974 122 H VAL 15 H VAL 15 16.962 -2.657 -9.252 123 HA VAL 15 HA VAL 15 18.456 -3.137 -11.640 124 HB VAL 15 HB VAL 15 19.583 -4.906 -10.345 125 HG11 VAL 15 HG11 VAL 15 20.249 -2.517 -10.172 126 HG12 VAL 15 HG12 VAL 15 19.250 -2.387 -8.723 127 HG13 VAL 15 HG13 VAL 15 20.642 -3.470 -8.741 128 HG21 VAL 15 HG21 VAL 15 18.625 -4.501 -7.752 129 HG22 VAL 15 HG22 VAL 15 17.190 -4.714 -8.755 130 HG23 VAL 15 HG23 VAL 15 18.448 -5.950 -8.741 131 H SER 16 H SER 16 15.730 -4.649 -10.077 132 HA SER 16 HA SER 16 15.764 -7.180 -11.192 133 HB2 SER 16 HB2 SER 16 13.977 -5.711 -9.670 134 HB3 SER 16 HB3 SER 16 13.082 -6.018 -11.159 135 HG SER 16 HG SER 16 14.480 -8.116 -9.922 136 H LEU 17 H LEU 17 14.290 -4.230 -12.529 137 HA LEU 17 HA LEU 17 13.261 -5.299 -14.871 138 HB2 LEU 17 HB2 LEU 17 14.482 -2.567 -14.502 139 HB3 LEU 17 HB3 LEU 17 13.369 -3.042 -15.784 140 HG LEU 17 HG LEU 17 11.873 -2.027 -14.428 141 HD11 LEU 17 HD11 LEU 17 10.610 -3.581 -13.194 142 HD12 LEU 17 HD12 LEU 17 12.028 -4.560 -12.821 143 HD13 LEU 17 HD13 LEU 17 11.395 -4.517 -14.466 144 HD21 LEU 17 HD21 LEU 17 12.792 -1.034 -12.657 145 HD22 LEU 17 HD22 LEU 17 14.005 -2.302 -12.476 146 HD23 LEU 17 HD23 LEU 17 12.406 -2.503 -11.759 147 H VAL 18 H VAL 18 16.257 -3.369 -14.764 148 HA VAL 18 HA VAL 18 17.238 -4.039 -17.244 149 HB VAL 18 HB VAL 18 18.215 -2.316 -15.737 150 HG11 VAL 18 HG11 VAL 18 19.896 -3.005 -14.088 151 HG12 VAL 18 HG12 VAL 18 18.291 -3.614 -13.681 152 HG13 VAL 18 HG13 VAL 18 19.491 -4.694 -14.391 153 HG21 VAL 18 HG21 VAL 18 19.376 -3.534 -17.763 154 HG22 VAL 18 HG22 VAL 18 20.260 -2.376 -16.769 155 HG23 VAL 18 HG23 VAL 18 20.468 -4.107 -16.503 156 H ARG 19 H ARG 19 17.350 -5.894 -14.280 157 HA ARG 19 HA ARG 19 19.285 -7.790 -15.138 158 HB2 ARG 19 HB2 ARG 19 17.288 -7.645 -12.918 159 HB3 ARG 19 HB3 ARG 19 18.047 -9.190 -13.278 160 HG2 ARG 19 HG2 ARG 19 19.923 -6.956 -13.073 161 HG3 ARG 19 HG3 ARG 19 19.041 -7.309 -11.586 162 HD2 ARG 19 HD2 ARG 19 20.372 -9.478 -13.175 163 HD3 ARG 19 HD3 ARG 19 21.267 -8.523 -11.994 164 HE ARG 19 HE ARG 19 18.867 -9.611 -10.900 165 HH11 ARG 19 HH11 ARG 19 22.165 -10.357 -11.727 166 HH12 ARG 19 HH12 ARG 19 22.308 -11.627 -10.556 167 HH21 ARG 19 HH21 ARG 19 19.043 -11.280 -9.356 168 HH22 ARG 19 HH22 ARG 19 20.532 -12.151 -9.209 169 H SER 20 H SER 20 15.760 -7.656 -15.266 170 HA SER 20 HA SER 20 15.272 -10.276 -16.112 171 HB2 SER 20 HB2 SER 20 13.259 -9.346 -15.647 172 HB3 SER 20 HB3 SER 20 13.794 -7.728 -16.099 173 HG SER 20 HG SER 20 13.155 -8.057 -18.109 174 H LEU 21 H LEU 21 16.280 -7.427 -17.882 175 HA LEU 21 HA LEU 21 16.156 -8.921 -20.405 176 HB2 LEU 21 HB2 LEU 21 16.332 -6.828 -21.531 177 HB3 LEU 21 HB3 LEU 21 15.098 -6.678 -20.282 178 HG LEU 21 HG LEU 21 17.572 -5.814 -19.181 179 HD11 LEU 21 HD11 LEU 21 17.770 -5.504 -21.865 180 HD12 LEU 21 HD12 LEU 21 18.548 -4.457 -20.678 181 HD13 LEU 21 HD13 LEU 21 17.013 -3.980 -21.403 182 HD21 LEU 21 HD21 LEU 21 15.724 -4.851 -18.247 183 HD22 LEU 21 HD22 LEU 21 14.889 -4.686 -19.792 184 HD23 LEU 21 HD23 LEU 21 16.190 -3.572 -19.369 185 H ASP 22 H ASP 22 17.985 -8.737 -21.889 186 HA ASP 22 HA ASP 22 20.515 -7.790 -21.157 187 HB2 ASP 22 HB2 ASP 22 20.024 -9.853 -19.553 188 HB3 ASP 22 HB3 ASP 22 20.572 -10.765 -20.956 189 H ARG 23 H ARG 23 19.616 -7.322 -23.440 190 HA ARG 23 HA ARG 23 21.224 -8.769 -25.292 191 HB2 ARG 23 HB2 ARG 23 18.998 -10.128 -24.909 192 HB3 ARG 23 HB3 ARG 23 18.322 -8.919 -25.992 193 HG2 ARG 23 HG2 ARG 23 18.960 -10.850 -27.261 194 HG3 ARG 23 HG3 ARG 23 20.039 -9.513 -27.666 195 HD2 ARG 23 HD2 ARG 23 21.159 -11.738 -27.337 196 HD3 ARG 23 HD3 ARG 23 21.795 -10.421 -26.354 197 HE ARG 23 HE ARG 23 21.059 -11.505 -24.467 198 HH11 ARG 23 HH11 ARG 23 19.672 -12.997 -27.291 199 HH12 ARG 23 HH12 ARG 23 19.032 -14.352 -26.421 200 HH21 ARG 23 HH21 ARG 23 20.222 -13.284 -23.311 201 HH22 ARG 23 HH22 ARG 23 19.345 -14.514 -24.157 202 HA PRO 24 HA PRO 24 20.249 -4.357 -26.317 203 HB2 PRO 24 HB2 PRO 24 22.835 -3.649 -26.745 204 HB3 PRO 24 HB3 PRO 24 22.083 -3.621 -25.145 205 HG2 PRO 24 HG2 PRO 24 23.860 -5.697 -26.367 206 HG3 PRO 24 HG3 PRO 24 23.883 -5.033 -24.723 207 HD2 PRO 24 HD2 PRO 24 22.768 -7.430 -25.311 208 HD3 PRO 24 HD3 PRO 24 22.149 -6.379 -24.021 209 H GLN 25 H GLN 25 19.369 -4.471 -28.309 210 HA GLN 25 HA GLN 25 20.565 -5.847 -30.494 211 HB2 GLN 25 HB2 GLN 25 18.214 -4.008 -30.197 212 HB3 GLN 25 HB3 GLN 25 18.770 -4.481 -31.797 213 HG2 GLN 25 HG2 GLN 25 17.510 -6.287 -31.613 214 HG3 GLN 25 HG3 GLN 25 18.619 -6.860 -30.368 215 HE21 GLN 25 HE21 GLN 25 18.162 -5.892 -28.150 216 HE22 GLN 25 HE22 GLN 25 16.503 -5.847 -27.669 217 H GLU 26 H GLU 26 20.127 -2.389 -29.766 218 HA GLU 26 HA GLU 26 21.688 -1.565 -32.029 219 HB2 GLU 26 HB2 GLU 26 20.052 -0.299 -29.994 220 HB3 GLU 26 HB3 GLU 26 21.544 0.590 -30.263 221 HG2 GLU 26 HG2 GLU 26 20.122 -0.258 -32.692 222 HG3 GLU 26 HG3 GLU 26 19.293 0.937 -31.696 223 H ASN 27 H ASN 27 22.195 -1.570 -28.508 224 HA ASN 27 HA ASN 27 24.077 -1.372 -27.239 225 HB2 ASN 27 HB2 ASN 27 24.425 -3.574 -28.468 226 HB3 ASN 27 HB3 ASN 27 25.500 -2.693 -29.550 227 HD21 ASN 27 HD21 ASN 27 24.961 -3.586 -26.192 228 HD22 ASN 27 HD22 ASN 27 26.621 -3.514 -25.716 229 H GLY 28 H GLY 28 23.682 1.009 -28.079 230 HA2 GLY 28 HA2 GLY 28 26.304 2.094 -28.529 231 HA3 GLY 28 HA3 GLY 28 25.240 2.303 -29.912 232 H LEU 29 H LEU 29 22.822 2.691 -28.474 233 HA LEU 29 HA LEU 29 23.091 4.771 -26.556 234 HB2 LEU 29 HB2 LEU 29 23.745 5.792 -28.850 235 HB3 LEU 29 HB3 LEU 29 22.014 5.738 -29.176 236 HG LEU 29 HG LEU 29 22.782 7.950 -28.407 237 HD11 LEU 29 HD11 LEU 29 21.130 7.070 -26.139 238 HD12 LEU 29 HD12 LEU 29 20.513 6.648 -27.736 239 HD13 LEU 29 HD13 LEU 29 20.843 8.334 -27.336 240 HD21 LEU 29 HD21 LEU 29 24.509 6.800 -26.821 241 HD22 LEU 29 HD22 LEU 29 23.176 6.837 -25.666 242 HD23 LEU 29 HD23 LEU 29 23.776 8.340 -26.368 243 H PHE 30 H PHE 30 21.103 3.231 -29.024 244 HA PHE 30 HA PHE 30 18.590 4.025 -28.041 245 HB2 PHE 30 HB2 PHE 30 19.614 2.036 -29.947 246 HB3 PHE 30 HB3 PHE 30 18.098 1.580 -29.177 247 HD1 PHE 30 HD1 PHE 30 19.688 4.489 -30.880 248 HD2 PHE 30 HD2 PHE 30 16.125 2.289 -30.117 249 HE1 PHE 30 HE1 PHE 30 18.462 5.938 -32.446 250 HE2 PHE 30 HE2 PHE 30 14.894 3.733 -31.682 251 HZ PHE 30 HZ PHE 30 16.062 5.562 -32.848 252 H SER 31 H SER 31 20.896 1.879 -26.780 253 HA SER 31 HA SER 31 19.086 1.124 -24.641 254 HB2 SER 31 HB2 SER 31 20.487 -0.959 -26.334 255 HB3 SER 31 HB3 SER 31 19.633 -1.287 -24.826 256 HG SER 31 HG SER 31 17.751 -0.354 -25.898 257 H GLN 32 H GLN 32 21.471 2.777 -24.932 258 HA GLN 32 HA GLN 32 22.929 1.765 -22.677 259 HB2 GLN 32 HB2 GLN 32 23.896 1.167 -25.291 260 HB3 GLN 32 HB3 GLN 32 24.982 2.346 -24.565 261 HG2 GLN 32 HG2 GLN 32 25.914 0.786 -23.311 262 HG3 GLN 32 HG3 GLN 32 24.347 0.328 -22.644 263 HE21 GLN 32 HE21 GLN 32 23.015 -0.752 -24.662 264 HE22 GLN 32 HE22 GLN 32 23.837 -2.130 -25.301 265 H ASP 33 H ASP 33 24.994 3.301 -22.405 266 HA ASP 33 HA ASP 33 23.990 6.042 -22.802 267 HB2 ASP 33 HB2 ASP 33 25.575 4.794 -20.567 268 HB3 ASP 33 HB3 ASP 33 25.543 6.539 -20.807 269 H VAL 34 H VAL 34 25.106 7.276 -24.149 270 HA VAL 34 HA VAL 34 27.391 6.487 -25.517 271 HB VAL 34 HB VAL 34 25.993 8.242 -26.394 272 HG11 VAL 34 HG11 VAL 34 25.168 9.848 -25.105 273 HG12 VAL 34 HG12 VAL 34 26.155 9.273 -23.760 274 HG13 VAL 34 HG13 VAL 34 26.788 10.500 -24.859 275 HG21 VAL 34 HG21 VAL 34 28.358 9.906 -25.941 276 HG22 VAL 34 HG22 VAL 34 28.723 8.256 -26.447 277 HG23 VAL 34 HG23 VAL 34 27.685 9.275 -27.444 278 H LEU 35 H LEU 35 27.060 8.125 -22.453 279 HA LEU 35 HA LEU 35 29.678 9.132 -22.217 280 HB2 LEU 35 HB2 LEU 35 27.402 9.254 -20.721 281 HB3 LEU 35 HB3 LEU 35 28.421 8.208 -19.735 282 HG LEU 35 HG LEU 35 29.021 11.032 -20.606 283 HD11 LEU 35 HD11 LEU 35 28.235 11.676 -18.631 284 HD12 LEU 35 HD12 LEU 35 29.147 10.428 -17.784 285 HD13 LEU 35 HD13 LEU 35 27.559 10.056 -18.455 286 HD21 LEU 35 HD21 LEU 35 31.073 10.804 -19.277 287 HD22 LEU 35 HD22 LEU 35 31.059 9.712 -20.662 288 HD23 LEU 35 HD23 LEU 35 30.724 9.090 -19.046 289 H LEU 36 H LEU 36 28.497 5.949 -22.161 290 HA LEU 36 HA LEU 36 30.838 4.954 -20.702 291 HB2 LEU 36 HB2 LEU 36 28.218 3.722 -21.486 292 HB3 LEU 36 HB3 LEU 36 29.584 2.730 -20.978 293 HG LEU 36 HG LEU 36 29.586 4.039 -18.822 294 HD11 LEU 36 HD11 LEU 36 27.497 5.444 -20.243 295 HD12 LEU 36 HD12 LEU 36 28.345 5.882 -18.761 296 HD13 LEU 36 HD13 LEU 36 26.931 4.831 -18.690 297 HD21 LEU 36 HD21 LEU 36 28.569 1.757 -19.190 298 HD22 LEU 36 HD22 LEU 36 27.011 2.571 -19.336 299 HD23 LEU 36 HD23 LEU 36 27.924 2.678 -17.831 300 H GLN 37 H GLN 37 30.853 6.047 -23.473 301 HA GLN 37 HA GLN 37 31.609 3.652 -24.990 302 HB2 GLN 37 HB2 GLN 37 31.240 6.481 -25.985 303 HB3 GLN 37 HB3 GLN 37 31.496 5.050 -26.974 304 HG2 GLN 37 HG2 GLN 37 29.133 5.353 -25.150 305 HG3 GLN 37 HG3 GLN 37 29.131 5.919 -26.819 306 HE21 GLN 37 HE21 GLN 37 27.360 4.003 -25.851 307 HE22 GLN 37 HE22 GLN 37 27.695 2.496 -26.626 308 H TYR 38 H TYR 38 32.799 7.010 -24.948 309 HA TYR 38 HA TYR 38 35.438 6.195 -24.149 310 HB2 TYR 38 HB2 TYR 38 34.797 6.788 -27.003 311 HB3 TYR 38 HB3 TYR 38 36.335 7.352 -26.359 312 HD1 TYR 38 HD1 TYR 38 37.307 5.280 -24.676 313 HD2 TYR 38 HD2 TYR 38 35.108 4.909 -28.300 314 HE1 TYR 38 HE1 TYR 38 38.276 3.047 -25.028 315 HE2 TYR 38 HE2 TYR 38 36.071 2.675 -28.662 316 HH TYR 38 HH TYR 38 37.669 0.952 -26.271 317 HA PRO 39 HA PRO 39 35.630 10.346 -22.740 318 HB2 PRO 39 HB2 PRO 39 38.299 10.831 -22.853 319 HB3 PRO 39 HB3 PRO 39 37.566 9.765 -21.649 320 HG2 PRO 39 HG2 PRO 39 38.952 9.063 -24.208 321 HG3 PRO 39 HG3 PRO 39 39.093 8.300 -22.613 322 HD2 PRO 39 HD2 PRO 39 37.576 7.256 -24.599 323 HD3 PRO 39 HD3 PRO 39 37.152 7.086 -22.884 324 H GLU 40 H GLU 40 34.493 11.153 -24.668 325 HA GLU 40 HA GLU 40 35.825 13.304 -25.866 326 HB2 GLU 40 HB2 GLU 40 35.640 12.392 -28.277 327 HB3 GLU 40 HB3 GLU 40 37.026 11.919 -27.304 328 HG2 GLU 40 HG2 GLU 40 34.977 10.024 -26.847 329 HG3 GLU 40 HG3 GLU 40 35.103 10.274 -28.588 330 H LEU 41 H LEU 41 33.215 10.967 -26.037 331 HA LEU 41 HA LEU 41 31.440 13.044 -27.127 332 HB2 LEU 41 HB2 LEU 41 29.885 11.091 -27.526 333 HB3 LEU 41 HB3 LEU 41 31.345 11.153 -28.511 334 HG LEU 41 HG LEU 41 30.581 8.886 -27.559 335 HD11 LEU 41 HD11 LEU 41 33.312 8.942 -26.751 336 HD12 LEU 41 HD12 LEU 41 33.109 9.997 -28.149 337 HD13 LEU 41 HD13 LEU 41 32.608 8.309 -28.240 338 HD21 LEU 41 HD21 LEU 41 31.970 9.987 -25.120 339 HD22 LEU 41 HD22 LEU 41 31.328 8.358 -25.334 340 HD23 LEU 41 HD23 LEU 41 30.229 9.736 -25.258 341 H ALA 42 H ALA 42 32.400 12.118 -24.239 342 HA ALA 42 HA ALA 42 30.071 11.421 -22.820 343 HB1 ALA 42 HB1 ALA 42 32.641 12.725 -21.959 344 HB2 ALA 42 HB2 ALA 42 31.354 12.305 -20.828 345 HB3 ALA 42 HB3 ALA 42 32.151 11.041 -21.765 346 H GLU 43 H GLU 43 31.221 14.443 -24.051 347 HA GLU 43 HA GLU 43 29.714 16.142 -22.331 348 HB2 GLU 43 HB2 GLU 43 31.745 16.641 -23.953 349 HB3 GLU 43 HB3 GLU 43 30.456 16.989 -25.096 350 HG2 GLU 43 HG2 GLU 43 29.515 18.601 -23.464 351 HG3 GLU 43 HG3 GLU 43 30.918 18.315 -22.436 352 H SER 44 H SER 44 29.060 14.475 -25.330 353 HA SER 44 HA SER 44 26.712 15.913 -26.027 354 HB2 SER 44 HB2 SER 44 26.656 14.558 -27.847 355 HB3 SER 44 HB3 SER 44 28.270 14.089 -27.314 356 HG SER 44 HG SER 44 27.383 12.302 -26.295 357 H TYR 45 H TYR 45 27.373 13.240 -23.900 358 HA TYR 45 HA TYR 45 24.836 12.111 -23.671 359 HB2 TYR 45 HB2 TYR 45 26.754 11.031 -22.684 360 HB3 TYR 45 HB3 TYR 45 27.030 12.398 -21.611 361 HD1 TYR 45 HD1 TYR 45 24.275 10.011 -22.456 362 HD2 TYR 45 HD2 TYR 45 26.351 12.157 -19.425 363 HE1 TYR 45 HE1 TYR 45 22.866 8.945 -20.745 364 HE2 TYR 45 HE2 TYR 45 24.948 11.096 -17.705 365 HH TYR 45 HH TYR 45 23.037 8.409 -18.293 366 H THR 46 H THR 46 26.159 15.037 -22.299 367 HA THR 46 HA THR 46 24.414 15.557 -20.227 368 HB THR 46 HB THR 46 24.869 17.922 -20.546 369 HG1 THR 46 HG1 THR 46 25.628 18.720 -22.427 370 HG21 THR 46 HG21 THR 46 26.662 16.386 -19.679 371 HG22 THR 46 HG22 THR 46 27.251 17.888 -20.388 372 HG23 THR 46 HG23 THR 46 27.350 16.383 -21.302 373 H LYS 47 H LYS 47 23.887 15.839 -23.678 374 HA LYS 47 HA LYS 47 21.478 17.333 -23.542 375 HB2 LYS 47 HB2 LYS 47 23.055 15.984 -25.592 376 HB3 LYS 47 HB3 LYS 47 21.325 15.843 -25.875 377 HG2 LYS 47 HG2 LYS 47 22.788 18.436 -25.423 378 HG3 LYS 47 HG3 LYS 47 22.336 17.784 -27.001 379 HD2 LYS 47 HD2 LYS 47 20.134 18.280 -26.725 380 HD3 LYS 47 HD3 LYS 47 20.183 18.020 -24.980 381 HE2 LYS 47 HE2 LYS 47 19.924 20.296 -25.059 382 HE3 LYS 47 HE3 LYS 47 21.683 20.175 -25.024 383 HZ1 LYS 47 HZ1 LYS 47 21.724 20.428 -27.417 384 HZ2 LYS 47 HZ2 LYS 47 20.911 21.733 -26.711 385 HZ3 LYS 47 HZ3 LYS 47 20.035 20.504 -27.473 386 H VAL 48 H VAL 48 22.209 13.885 -23.557 387 HA VAL 48 HA VAL 48 19.345 13.328 -23.137 388 HB VAL 48 HB VAL 48 20.387 12.273 -25.153 389 HG11 VAL 48 HG11 VAL 48 22.535 11.813 -23.603 390 HG12 VAL 48 HG12 VAL 48 21.736 10.244 -23.490 391 HG13 VAL 48 HG13 VAL 48 22.178 10.899 -25.068 392 HG21 VAL 48 HG21 VAL 48 18.958 10.549 -24.969 393 HG22 VAL 48 HG22 VAL 48 19.722 9.945 -23.499 394 HG23 VAL 48 HG23 VAL 48 18.556 11.265 -23.408 395 H CYS 49 H CYS 49 20.968 14.211 -21.012 396 HA CYS 49 HA CYS 49 22.232 12.374 -19.435 397 HB2 CYS 49 HB2 CYS 49 22.275 14.460 -18.481 398 HB3 CYS 49 HB3 CYS 49 20.588 14.787 -18.861 399 HG CYS 49 HG CYS 49 20.968 14.767 -16.068 400 HA PRO 50 HA PRO 50 18.038 10.953 -17.500 401 HB2 PRO 50 HB2 PRO 50 15.761 11.750 -18.745 402 HB3 PRO 50 HB3 PRO 50 16.531 12.687 -17.459 403 HG2 PRO 50 HG2 PRO 50 16.682 13.061 -20.426 404 HG3 PRO 50 HG3 PRO 50 16.489 14.280 -19.153 405 HD2 PRO 50 HD2 PRO 50 18.868 13.783 -20.346 406 HD3 PRO 50 HD3 PRO 50 18.739 14.293 -18.650 407 H ASN 51 H ASN 51 18.818 9.002 -18.400 408 HA ASN 51 HA ASN 51 18.564 8.068 -20.968 409 HB2 ASN 51 HB2 ASN 51 18.538 6.686 -18.304 410 HB3 ASN 51 HB3 ASN 51 18.295 5.755 -19.780 411 HD21 ASN 51 HD21 ASN 51 19.969 6.833 -21.547 412 HD22 ASN 51 HD22 ASN 51 21.608 6.707 -21.013 413 H ARG 52 H ARG 52 16.939 7.493 -22.261 414 HA ARG 52 HA ARG 52 14.297 7.006 -21.052 415 HB2 ARG 52 HB2 ARG 52 14.678 8.313 -23.739 416 HB3 ARG 52 HB3 ARG 52 13.218 8.238 -22.761 417 HG2 ARG 52 HG2 ARG 52 14.485 9.636 -21.052 418 HG3 ARG 52 HG3 ARG 52 15.664 9.918 -22.335 419 HD2 ARG 52 HD2 ARG 52 12.728 10.440 -22.705 420 HD3 ARG 52 HD3 ARG 52 13.823 11.654 -22.045 421 HE ARG 52 HE ARG 52 14.800 10.598 -24.497 422 HH11 ARG 52 HH11 ARG 52 12.471 12.811 -23.156 423 HH12 ARG 52 HH12 ARG 52 12.423 13.819 -24.564 424 HH21 ARG 52 HH21 ARG 52 14.746 11.917 -26.357 425 HH22 ARG 52 HH22 ARG 52 13.717 13.309 -26.385 426 H CYS 53 H CYS 53 16.272 5.049 -21.752 427 HA CYS 53 HA CYS 53 15.151 3.806 -24.160 428 HB2 CYS 53 HB2 CYS 53 17.642 3.145 -22.577 429 HB3 CYS 53 HB3 CYS 53 17.103 2.275 -24.008 430 HG CYS 53 HG CYS 53 17.408 4.457 -25.728 431 H ASP 54 H ASP 54 16.521 2.359 -21.223 432 HA ASP 54 HA ASP 54 14.165 1.368 -20.119 433 HB2 ASP 54 HB2 ASP 54 15.137 -0.140 -22.426 434 HB3 ASP 54 HB3 ASP 54 14.974 -1.133 -20.981 435 H LEU 55 H LEU 55 17.101 -0.487 -20.872 436 HA LEU 55 HA LEU 55 17.537 -1.180 -18.157 437 HB2 LEU 55 HB2 LEU 55 19.744 -2.012 -19.010 438 HB3 LEU 55 HB3 LEU 55 18.319 -2.678 -19.805 439 HG LEU 55 HG LEU 55 19.478 -0.334 -21.141 440 HD11 LEU 55 HD11 LEU 55 21.002 -2.816 -21.626 441 HD12 LEU 55 HD12 LEU 55 21.378 -1.936 -20.145 442 HD13 LEU 55 HD13 LEU 55 21.515 -1.130 -21.707 443 HD21 LEU 55 HD21 LEU 55 17.652 -2.118 -21.834 444 HD22 LEU 55 HD22 LEU 55 19.073 -2.989 -22.409 445 HD23 LEU 55 HD23 LEU 55 18.721 -1.374 -23.024 446 H ALA 56 H ALA 56 18.875 1.288 -20.281 447 HA ALA 56 HA ALA 56 20.924 2.143 -18.504 448 HB1 ALA 56 HB1 ALA 56 20.858 4.231 -19.973 449 HB2 ALA 56 HB2 ALA 56 21.253 2.700 -20.754 450 HB3 ALA 56 HB3 ALA 56 19.634 3.380 -20.915 451 H THR 57 H THR 57 17.537 2.856 -18.820 452 HA THR 57 HA THR 57 17.617 5.251 -17.228 453 HB THR 57 HB THR 57 15.200 3.572 -17.911 454 HG1 THR 57 HG1 THR 57 16.684 4.577 -19.668 455 HG21 THR 57 HG21 THR 57 13.991 5.698 -17.621 456 HG22 THR 57 HG22 THR 57 15.498 6.478 -17.141 457 HG23 THR 57 HG23 THR 57 14.809 5.199 -16.141 458 H ALA 58 H ALA 58 16.746 1.863 -16.707 459 HA ALA 58 HA ALA 58 15.869 2.218 -14.023 460 HB1 ALA 58 HB1 ALA 58 16.507 -0.123 -15.752 461 HB2 ALA 58 HB2 ALA 58 16.357 -0.361 -14.010 462 HB3 ALA 58 HB3 ALA 58 15.004 0.298 -14.929 463 H ALA 59 H ALA 59 18.932 1.233 -15.496 464 HA ALA 59 HA ALA 59 20.243 0.682 -13.026 465 HB1 ALA 59 HB1 ALA 59 22.218 0.398 -14.301 466 HB2 ALA 59 HB2 ALA 59 20.892 -0.219 -15.289 467 HB3 ALA 59 HB3 ALA 59 21.583 1.367 -15.631 468 H ASP 60 H ASP 60 19.801 3.535 -14.989 469 HA ASP 60 HA ASP 60 21.844 5.108 -13.797 470 HB2 ASP 60 HB2 ASP 60 21.059 5.838 -15.907 471 HB3 ASP 60 HB3 ASP 60 19.377 5.786 -15.388 472 H ARG 61 H ARG 61 18.330 4.927 -13.265 473 HA ARG 61 HA ARG 61 18.135 6.852 -11.266 474 HB2 ARG 61 HB2 ARG 61 16.460 4.824 -12.396 475 HB3 ARG 61 HB3 ARG 61 16.308 4.775 -10.645 476 HG2 ARG 61 HG2 ARG 61 14.638 6.230 -11.688 477 HG3 ARG 61 HG3 ARG 61 15.704 7.114 -10.594 478 HD2 ARG 61 HD2 ARG 61 16.589 6.997 -13.397 479 HD3 ARG 61 HD3 ARG 61 15.100 7.898 -13.117 480 HE ARG 61 HE ARG 61 17.762 8.640 -12.303 481 HH11 ARG 61 HH11 ARG 61 14.352 9.073 -11.749 482 HH12 ARG 61 HH12 ARG 61 14.537 10.630 -11.011 483 HH21 ARG 61 HH21 ARG 61 18.018 10.689 -11.334 484 HH22 ARG 61 HH22 ARG 61 16.623 11.549 -10.777 485 H ALA 62 H ALA 62 18.824 3.387 -11.012 486 HA ALA 62 HA ALA 62 18.950 3.378 -8.161 487 HB1 ALA 62 HB1 ALA 62 19.324 1.450 -10.324 488 HB2 ALA 62 HB2 ALA 62 20.377 1.178 -8.935 489 HB3 ALA 62 HB3 ALA 62 18.628 1.236 -8.718 490 H ALA 63 H ALA 63 21.430 3.292 -10.714 491 HA ALA 63 HA ALA 63 23.673 3.265 -9.051 492 HB1 ALA 63 HB1 ALA 63 24.945 3.888 -10.959 493 HB2 ALA 63 HB2 ALA 63 23.628 2.864 -11.530 494 HB3 ALA 63 HB3 ALA 63 23.540 4.613 -11.740 495 H LYS 64 H LYS 64 21.540 5.856 -9.948 496 HA LYS 64 HA LYS 64 23.179 8.064 -9.434 497 HB2 LYS 64 HB2 LYS 64 20.226 7.593 -9.406 498 HB3 LYS 64 HB3 LYS 64 20.850 9.108 -8.768 499 HG2 LYS 64 HG2 LYS 64 21.836 8.258 -11.426 500 HG3 LYS 64 HG3 LYS 64 20.158 8.795 -11.314 501 HD2 LYS 64 HD2 LYS 64 21.214 10.790 -11.734 502 HD3 LYS 64 HD3 LYS 64 21.220 10.786 -9.969 503 HE2 LYS 64 HE2 LYS 64 23.460 10.556 -9.851 504 HE3 LYS 64 HE3 LYS 64 23.523 9.466 -11.235 505 HZ1 LYS 64 HZ1 LYS 64 24.073 12.231 -11.139 506 HZ2 LYS 64 HZ2 LYS 64 22.793 11.956 -12.211 507 HZ3 LYS 64 HZ3 LYS 64 24.267 11.156 -12.431 508 H GLY 65 H GLY 65 21.779 5.767 -7.297 509 HA2 GLY 65 HA2 GLY 65 22.878 5.746 -5.065 510 HA3 GLY 65 HA3 GLY 65 22.533 7.468 -4.999 511 H ALA 66 H ALA 66 20.104 5.549 -6.443 512 HA ALA 66 HA ALA 66 17.939 5.153 -5.843 513 HB1 ALA 66 HB1 ALA 66 17.672 4.023 -3.614 514 HB2 ALA 66 HB2 ALA 66 18.859 3.290 -4.694 515 HB3 ALA 66 HB3 ALA 66 19.394 4.300 -3.350 516 H TYR 67 H TYR 67 17.874 7.638 -5.929 517 HA TYR 67 HA TYR 67 17.851 9.281 -3.720 518 HB2 TYR 67 HB2 TYR 67 16.893 9.407 -6.421 519 HB3 TYR 67 HB3 TYR 67 15.691 10.114 -5.348 520 HD1 TYR 67 HD1 TYR 67 19.090 10.419 -6.675 521 HD2 TYR 67 HD2 TYR 67 16.175 12.138 -4.096 522 HE1 TYR 67 HE1 TYR 67 20.406 12.494 -6.580 523 HE2 TYR 67 HE2 TYR 67 17.483 14.218 -3.994 524 HH TYR 67 HH TYR 67 20.597 14.473 -4.794 525 H GLY 68 H GLY 68 16.918 8.718 -1.842 526 HA2 GLY 68 HA2 GLY 68 14.426 7.306 -1.705 527 HA3 GLY 68 HA3 GLY 68 15.327 7.965 -0.348 528 H TYR 69 H TYR 69 13.314 8.645 0.557 529 HA TYR 69 HA TYR 69 11.655 10.135 1.007 530 HB2 TYR 69 HB2 TYR 69 13.831 11.594 0.765 531 HB3 TYR 69 HB3 TYR 69 13.025 12.194 -0.680 532 HD1 TYR 69 HD1 TYR 69 11.953 11.400 2.819 533 HD2 TYR 69 HD2 TYR 69 12.019 14.235 -0.353 534 HE1 TYR 69 HE1 TYR 69 10.656 12.968 4.201 535 HE2 TYR 69 HE2 TYR 69 10.723 15.811 1.020 536 HH TYR 69 HH TYR 69 10.140 16.264 3.247 537 H ASP 70 H ASP 70 10.095 9.008 -0.230 538 HA ASP 70 HA ASP 70 9.201 10.513 -2.578 539 HB2 ASP 70 HB2 ASP 70 10.447 8.076 -2.861 540 HB3 ASP 70 HB3 ASP 70 8.744 7.628 -2.824 541 H VAL 71 H VAL 71 7.078 10.924 -2.562 542 HA VAL 71 HA VAL 71 5.501 10.059 -0.320 543 HB VAL 71 HB VAL 71 5.344 12.350 -1.309 544 HG11 VAL 71 HG11 VAL 71 3.487 11.437 -3.401 545 HG12 VAL 71 HG12 VAL 71 4.653 12.762 -3.414 546 HG13 VAL 71 HG13 VAL 71 5.192 11.107 -3.704 547 HG21 VAL 71 HG21 VAL 71 2.857 10.668 -1.091 548 HG22 VAL 71 HG22 VAL 71 3.605 11.666 0.156 549 HG23 VAL 71 HG23 VAL 71 2.827 12.426 -1.233 550 H GLN 72 H GLN 72 5.902 9.093 -3.617 551 HA GLN 72 HA GLN 72 4.281 6.773 -3.230 552 HB2 GLN 72 HB2 GLN 72 2.831 8.946 -3.996 553 HB3 GLN 72 HB3 GLN 72 3.264 8.265 -5.559 554 HG2 GLN 72 HG2 GLN 72 1.975 6.683 -3.352 555 HG3 GLN 72 HG3 GLN 72 1.077 7.498 -4.631 556 HE21 GLN 72 HE21 GLN 72 3.679 5.158 -4.115 557 HE22 GLN 72 HE22 GLN 72 3.312 4.181 -5.491 558 H LEU 73 H LEU 73 6.972 7.203 -3.885 559 HA LEU 73 HA LEU 73 8.603 6.624 -5.368 560 HB2 LEU 73 HB2 LEU 73 6.425 4.792 -6.362 561 HB3 LEU 73 HB3 LEU 73 8.144 4.626 -6.712 562 HG LEU 73 HG LEU 73 7.758 3.041 -5.055 563 HD11 LEU 73 HD11 LEU 73 8.488 5.302 -3.250 564 HD12 LEU 73 HD12 LEU 73 9.560 4.865 -4.580 565 HD13 LEU 73 HD13 LEU 73 9.158 3.673 -3.344 566 HD21 LEU 73 HD21 LEU 73 6.230 3.154 -3.354 567 HD22 LEU 73 HD22 LEU 73 5.460 4.212 -4.537 568 HD23 LEU 73 HD23 LEU 73 6.370 4.906 -3.194 569 H THR 74 H THR 74 7.378 8.943 -6.122 570 HA THR 74 HA THR 74 6.332 9.007 -8.725 571 HB THR 74 HB THR 74 6.277 10.896 -7.052 572 HG1 THR 74 HG1 THR 74 5.745 11.991 -8.774 573 HG21 THR 74 HG21 THR 74 8.964 10.633 -6.950 574 HG22 THR 74 HG22 THR 74 8.108 12.109 -6.507 575 HG23 THR 74 HG23 THR 74 8.820 11.951 -8.113 576 H THR 75 H THR 75 9.565 8.647 -7.566 577 HA THR 75 HA THR 75 10.965 9.564 -9.844 578 HB THR 75 HB THR 75 12.869 8.239 -8.981 579 HG1 THR 75 HG1 THR 75 10.941 7.338 -7.082 580 HG21 THR 75 HG21 THR 75 12.749 9.274 -6.571 581 HG22 THR 75 HG22 THR 75 11.299 10.053 -7.203 582 HG23 THR 75 HG23 THR 75 12.855 10.319 -7.988 583 H LEU 76 H LEU 76 9.984 6.293 -8.838 584 HA LEU 76 HA LEU 76 10.913 5.102 -11.279 585 HB2 LEU 76 HB2 LEU 76 9.940 4.217 -8.730 586 HB3 LEU 76 HB3 LEU 76 9.085 3.374 -10.021 587 HG LEU 76 HG LEU 76 11.693 3.151 -10.820 588 HD11 LEU 76 HD11 LEU 76 11.872 3.982 -8.179 589 HD12 LEU 76 HD12 LEU 76 13.138 3.212 -9.134 590 HD13 LEU 76 HD13 LEU 76 12.090 2.233 -8.108 591 HD21 LEU 76 HD21 LEU 76 10.465 1.238 -11.004 592 HD22 LEU 76 HD22 LEU 76 9.750 1.408 -9.400 593 HD23 LEU 76 HD23 LEU 76 11.410 0.836 -9.570 594 H LYS 77 H LYS 77 7.911 6.404 -10.092 595 HA LYS 77 HA LYS 77 6.244 5.214 -12.088 596 HB2 LYS 77 HB2 LYS 77 5.771 6.492 -9.723 597 HB3 LYS 77 HB3 LYS 77 5.337 7.742 -10.881 598 HG2 LYS 77 HG2 LYS 77 3.332 6.761 -10.866 599 HG3 LYS 77 HG3 LYS 77 4.082 5.574 -11.936 600 HD2 LYS 77 HD2 LYS 77 4.095 5.308 -8.938 601 HD3 LYS 77 HD3 LYS 77 2.809 4.648 -9.951 602 HE2 LYS 77 HE2 LYS 77 4.170 2.822 -9.840 603 HE3 LYS 77 HE3 LYS 77 4.868 3.613 -11.253 604 HZ1 LYS 77 HZ1 LYS 77 6.079 3.032 -8.763 605 HZ2 LYS 77 HZ2 LYS 77 6.139 4.698 -9.053 606 HZ3 LYS 77 HZ3 LYS 77 6.790 3.619 -10.181 607 H GLU 78 H GLU 78 7.926 8.295 -11.740 608 HA GLU 78 HA GLU 78 6.809 9.424 -14.127 609 HB2 GLU 78 HB2 GLU 78 7.677 10.739 -12.153 610 HB3 GLU 78 HB3 GLU 78 9.301 10.313 -12.674 611 HG2 GLU 78 HG2 GLU 78 9.215 11.660 -14.525 612 HG3 GLU 78 HG3 GLU 78 7.457 11.598 -14.622 613 H ASP 79 H ASP 79 9.515 7.414 -13.363 614 HA ASP 79 HA ASP 79 10.997 7.961 -15.758 615 HB2 ASP 79 HB2 ASP 79 11.259 6.160 -13.428 616 HB3 ASP 79 HB3 ASP 79 11.973 5.572 -14.928 617 H ILE 80 H ILE 80 8.955 5.273 -14.641 618 HA ILE 80 HA ILE 80 9.156 3.688 -16.937 619 HB ILE 80 HB ILE 80 8.225 2.791 -14.892 620 HG12 ILE 80 HG12 ILE 80 6.261 1.640 -15.809 621 HG13 ILE 80 HG13 ILE 80 6.137 2.848 -17.083 622 HG21 ILE 80 HG21 ILE 80 7.105 4.901 -14.185 623 HG22 ILE 80 HG22 ILE 80 5.823 4.552 -15.344 624 HG23 ILE 80 HG23 ILE 80 6.110 3.459 -13.990 625 HD11 ILE 80 HD11 ILE 80 7.161 0.726 -17.816 626 HD12 ILE 80 HD12 ILE 80 8.211 2.124 -18.041 627 HD13 ILE 80 HD13 ILE 80 8.491 1.017 -16.696 628 H ARG 81 H ARG 81 6.925 6.305 -16.122 629 HA ARG 81 HA ARG 81 5.305 6.001 -18.447 630 HB2 ARG 81 HB2 ARG 81 4.256 8.052 -17.788 631 HB3 ARG 81 HB3 ARG 81 4.577 7.122 -16.330 632 HG2 ARG 81 HG2 ARG 81 6.536 8.494 -15.871 633 HG3 ARG 81 HG3 ARG 81 6.243 9.414 -17.348 634 HD2 ARG 81 HD2 ARG 81 4.405 9.232 -14.964 635 HD3 ARG 81 HD3 ARG 81 5.412 10.613 -15.398 636 HE ARG 81 HE ARG 81 3.766 10.028 -17.574 637 HH11 ARG 81 HH11 ARG 81 3.491 11.160 -14.294 638 HH12 ARG 81 HH12 ARG 81 2.057 12.085 -14.595 639 HH21 ARG 81 HH21 ARG 81 1.879 11.241 -17.984 640 HH22 ARG 81 HH22 ARG 81 1.141 12.130 -16.694 641 H LEU 82 H LEU 82 8.205 7.801 -17.682 642 HA LEU 82 HA LEU 82 8.150 9.531 -19.931 643 HB2 LEU 82 HB2 LEU 82 9.498 9.870 -17.855 644 HB3 LEU 82 HB3 LEU 82 10.562 8.575 -18.399 645 HG LEU 82 HG LEU 82 11.343 10.964 -18.782 646 HD11 LEU 82 HD11 LEU 82 11.320 9.723 -21.437 647 HD12 LEU 82 HD12 LEU 82 11.826 8.656 -20.129 648 HD13 LEU 82 HD13 LEU 82 12.675 10.177 -20.403 649 HD21 LEU 82 HD21 LEU 82 9.543 10.900 -21.174 650 HD22 LEU 82 HD22 LEU 82 10.415 12.261 -20.469 651 HD23 LEU 82 HD23 LEU 82 8.998 11.602 -19.650 652 H MET 83 H MET 83 9.710 6.407 -19.311 653 HA MET 83 HA MET 83 11.081 6.223 -21.762 654 HB2 MET 83 HB2 MET 83 10.056 4.028 -19.954 655 HB3 MET 83 HB3 MET 83 11.196 3.794 -21.272 656 HG2 MET 83 HG2 MET 83 12.844 5.131 -20.170 657 HG3 MET 83 HG3 MET 83 11.695 5.595 -18.917 658 HE1 MET 83 HE1 MET 83 12.866 3.625 -16.264 659 HE2 MET 83 HE2 MET 83 12.037 5.024 -16.948 660 HE3 MET 83 HE3 MET 83 11.147 3.532 -16.648 661 H VAL 84 H VAL 84 7.985 4.772 -20.750 662 HA VAL 84 HA VAL 84 7.321 3.561 -23.163 663 HB VAL 84 HB VAL 84 6.088 3.144 -21.087 664 HG11 VAL 84 HG11 VAL 84 4.408 4.747 -20.296 665 HG12 VAL 84 HG12 VAL 84 6.041 5.411 -20.205 666 HG13 VAL 84 HG13 VAL 84 4.957 5.909 -21.504 667 HG21 VAL 84 HG21 VAL 84 3.974 2.825 -22.059 668 HG22 VAL 84 HG22 VAL 84 4.142 4.243 -23.094 669 HG23 VAL 84 HG23 VAL 84 5.100 2.797 -23.416 670 H ASN 85 H ASN 85 7.010 6.896 -22.146 671 HA ASN 85 HA ASN 85 5.246 7.779 -24.155 672 HB2 ASN 85 HB2 ASN 85 7.149 9.065 -22.270 673 HB3 ASN 85 HB3 ASN 85 6.649 10.015 -23.666 674 HD21 ASN 85 HD21 ASN 85 6.082 10.124 -20.701 675 HD22 ASN 85 HD22 ASN 85 4.362 10.251 -20.606 676 H ASN 86 H ASN 86 8.802 7.974 -23.977 677 HA ASN 86 HA ASN 86 9.051 8.919 -26.662 678 HB2 ASN 86 HB2 ASN 86 10.683 9.107 -24.578 679 HB3 ASN 86 HB3 ASN 86 11.343 7.621 -25.256 680 HD21 ASN 86 HD21 ASN 86 10.179 10.743 -26.490 681 HD22 ASN 86 HD22 ASN 86 11.535 11.030 -27.521 682 H CYS 87 H CYS 87 8.693 5.836 -25.230 683 HA CYS 87 HA CYS 87 10.075 4.217 -27.056 684 HB2 CYS 87 HB2 CYS 87 8.388 3.830 -24.831 685 HB3 CYS 87 HB3 CYS 87 7.654 2.938 -26.158 686 HG CYS 87 HG CYS 87 10.766 2.197 -26.356 687 H ILE 88 H ILE 88 6.537 4.647 -26.918 688 HA ILE 88 HA ILE 88 6.150 3.688 -29.562 689 HB ILE 88 HB ILE 88 3.835 4.414 -29.317 690 HG12 ILE 88 HG12 ILE 88 3.533 5.345 -26.756 691 HG13 ILE 88 HG13 ILE 88 5.029 6.131 -27.249 692 HG21 ILE 88 HG21 ILE 88 3.328 2.724 -27.925 693 HG22 ILE 88 HG22 ILE 88 5.072 2.468 -27.896 694 HG23 ILE 88 HG23 ILE 88 4.295 3.384 -26.606 695 HD11 ILE 88 HD11 ILE 88 2.922 7.428 -27.650 696 HD12 ILE 88 HD12 ILE 88 3.965 7.217 -29.056 697 HD13 ILE 88 HD13 ILE 88 2.511 6.234 -28.880 698 H LEU 89 H LEU 89 6.671 6.852 -28.188 699 HA LEU 89 HA LEU 89 5.788 8.365 -30.423 700 HB2 LEU 89 HB2 LEU 89 5.942 9.430 -28.297 701 HB3 LEU 89 HB3 LEU 89 7.644 8.999 -28.141 702 HG LEU 89 HG LEU 89 7.399 10.564 -30.481 703 HD11 LEU 89 HD11 LEU 89 5.212 11.190 -29.147 704 HD12 LEU 89 HD12 LEU 89 6.179 12.419 -29.961 705 HD13 LEU 89 HD13 LEU 89 6.343 12.178 -28.221 706 HD21 LEU 89 HD21 LEU 89 8.678 10.756 -27.807 707 HD22 LEU 89 HD22 LEU 89 8.605 12.213 -28.799 708 HD23 LEU 89 HD23 LEU 89 9.404 10.766 -29.415 709 H PHE 90 H PHE 90 9.133 8.043 -29.233 710 HA PHE 90 HA PHE 90 10.359 8.878 -31.590 711 HB2 PHE 90 HB2 PHE 90 11.250 8.278 -29.107 712 HB3 PHE 90 HB3 PHE 90 11.822 6.866 -29.989 713 HD1 PHE 90 HD1 PHE 90 11.677 10.562 -30.507 714 HD2 PHE 90 HD2 PHE 90 13.971 6.986 -30.759 715 HE1 PHE 90 HE1 PHE 90 13.603 11.859 -31.321 716 HE2 PHE 90 HE2 PHE 90 15.901 8.276 -31.572 717 HZ PHE 90 HZ PHE 90 15.719 10.716 -31.854 718 H ASN 91 H ASN 91 10.164 5.524 -30.383 719 HA ASN 91 HA ASN 91 9.282 4.369 -32.756 720 HB2 ASN 91 HB2 ASN 91 12.093 5.055 -32.779 721 HB3 ASN 91 HB3 ASN 91 11.876 3.313 -32.925 722 HD21 ASN 91 HD21 ASN 91 9.827 2.873 -34.430 723 HD22 ASN 91 HD22 ASN 91 9.937 3.653 -35.968 724 H GLY 92 H GLY 92 8.202 2.810 -31.718 725 HA2 GLY 92 HA2 GLY 92 9.718 0.741 -30.366 726 HA3 GLY 92 HA3 GLY 92 8.595 1.619 -29.339 727 H ALA 93 H ALA 93 6.309 1.705 -30.132 728 HA ALA 93 HA ALA 93 5.557 -0.958 -31.080 729 HB1 ALA 93 HB1 ALA 93 3.951 1.211 -29.738 730 HB2 ALA 93 HB2 ALA 93 3.290 -0.334 -30.276 731 HB3 ALA 93 HB3 ALA 93 4.525 -0.293 -29.018 732 H GLU 94 H GLU 94 3.927 2.175 -31.480 733 HA GLU 94 HA GLU 94 2.933 3.150 -33.280 734 HB2 GLU 94 HB2 GLU 94 5.542 2.681 -33.980 735 HB3 GLU 94 HB3 GLU 94 4.670 1.907 -35.295 736 HG2 GLU 94 HG2 GLU 94 3.336 4.175 -35.297 737 HG3 GLU 94 HG3 GLU 94 4.810 4.774 -34.537 738 H GLY 95 H GLY 95 2.312 0.279 -32.497 739 HA2 GLY 95 HA2 GLY 95 0.208 -0.204 -34.227 740 HA3 GLY 95 HA3 GLY 95 1.573 -1.101 -34.876 741 H ALA 96 H ALA 96 2.666 -1.551 -32.152 742 HA ALA 96 HA ALA 96 0.700 -3.536 -31.211 743 HB1 ALA 96 HB1 ALA 96 3.661 -3.842 -31.611 744 HB2 ALA 96 HB2 ALA 96 2.735 -4.919 -30.565 745 HB3 ALA 96 HB3 ALA 96 2.353 -4.816 -32.284 746 H TYR 97 H TYR 97 0.218 -1.534 -29.847 747 HA TYR 97 HA TYR 97 1.904 -0.496 -27.928 748 HB2 TYR 97 HB2 TYR 97 -0.119 0.068 -26.653 749 HB3 TYR 97 HB3 TYR 97 -0.333 0.399 -28.368 750 HD1 TYR 97 HD1 TYR 97 -1.862 -0.935 -29.712 751 HD2 TYR 97 HD2 TYR 97 -1.359 -1.708 -25.559 752 HE1 TYR 97 HE1 TYR 97 -3.903 -2.308 -29.727 753 HE2 TYR 97 HE2 TYR 97 -3.398 -3.083 -25.562 754 HH TYR 97 HH TYR 97 -5.252 -3.613 -28.546 755 H ALA 98 H ALA 98 0.300 -3.584 -28.001 756 HA ALA 98 HA ALA 98 0.369 -4.318 -25.326 757 HB1 ALA 98 HB1 ALA 98 1.027 -6.621 -26.794 758 HB2 ALA 98 HB2 ALA 98 -0.569 -6.105 -26.247 759 HB3 ALA 98 HB3 ALA 98 0.011 -5.633 -27.844 760 H ASP 99 H ASP 99 2.955 -4.109 -27.654 761 HA ASP 99 HA ASP 99 4.866 -5.688 -26.313 762 HB2 ASP 99 HB2 ASP 99 5.199 -3.363 -28.217 763 HB3 ASP 99 HB3 ASP 99 6.531 -4.368 -27.654 764 H ALA 100 H ALA 100 3.947 -2.305 -26.016 765 HA ALA 100 HA ALA 100 6.085 -1.685 -24.185 766 HB1 ALA 100 HB1 ALA 100 3.806 -0.199 -25.380 767 HB2 ALA 100 HB2 ALA 100 4.521 0.422 -23.892 768 HB3 ALA 100 HB3 ALA 100 5.521 0.208 -25.329 769 H ALA 101 H ALA 101 2.857 -2.889 -23.976 770 HA ALA 101 HA ALA 101 2.328 -2.116 -21.285 771 HB1 ALA 101 HB1 ALA 101 0.490 -3.750 -21.409 772 HB2 ALA 101 HB2 ALA 101 0.512 -2.655 -22.792 773 HB3 ALA 101 HB3 ALA 101 1.110 -4.305 -22.965 774 H ARG 102 H ARG 102 3.968 -4.805 -22.785 775 HA ARG 102 HA ARG 102 3.936 -6.600 -20.619 776 HB2 ARG 102 HB2 ARG 102 4.831 -6.721 -23.178 777 HB3 ARG 102 HB3 ARG 102 6.355 -6.580 -22.313 778 HG2 ARG 102 HG2 ARG 102 5.851 -8.898 -22.646 779 HG3 ARG 102 HG3 ARG 102 5.703 -8.521 -20.928 780 HD2 ARG 102 HD2 ARG 102 3.173 -8.065 -21.754 781 HD3 ARG 102 HD3 ARG 102 3.651 -9.333 -22.881 782 HE ARG 102 HE ARG 102 4.286 -9.946 -20.152 783 HH11 ARG 102 HH11 ARG 102 1.791 -10.016 -22.579 784 HH12 ARG 102 HH12 ARG 102 0.919 -11.313 -21.831 785 HH21 ARG 102 HH21 ARG 102 3.147 -11.654 -19.158 786 HH22 ARG 102 HH22 ARG 102 1.691 -12.243 -19.885 787 H THR 103 H THR 103 6.426 -4.263 -21.635 788 HA THR 103 HA THR 103 8.175 -4.727 -19.481 789 HB THR 103 HB THR 103 8.976 -3.589 -21.453 790 HG1 THR 103 HG1 THR 103 9.809 -3.014 -19.274 791 HG21 THR 103 HG21 THR 103 6.927 -2.424 -22.089 792 HG22 THR 103 HG22 THR 103 8.279 -1.295 -21.993 793 HG23 THR 103 HG23 THR 103 7.087 -1.357 -20.694 794 H PHE 104 H PHE 104 5.406 -2.602 -19.852 795 HA PHE 104 HA PHE 104 5.817 -0.970 -17.608 796 HB2 PHE 104 HB2 PHE 104 4.175 -0.379 -19.286 797 HB3 PHE 104 HB3 PHE 104 3.249 -1.838 -18.949 798 HD1 PHE 104 HD1 PHE 104 4.336 1.395 -17.521 799 HD2 PHE 104 HD2 PHE 104 1.635 -1.882 -17.247 800 HE1 PHE 104 HE1 PHE 104 3.016 2.627 -15.850 801 HE2 PHE 104 HE2 PHE 104 0.310 -0.655 -15.577 802 HZ PHE 104 HZ PHE 104 0.999 1.603 -14.876 803 H GLU 105 H GLU 105 3.864 -3.930 -17.950 804 HA GLU 105 HA GLU 105 2.939 -4.127 -15.349 805 HB2 GLU 105 HB2 GLU 105 3.460 -6.080 -17.533 806 HB3 GLU 105 HB3 GLU 105 3.184 -6.722 -15.920 807 HG2 GLU 105 HG2 GLU 105 1.319 -4.883 -17.402 808 HG3 GLU 105 HG3 GLU 105 1.137 -6.631 -17.261 809 H LYS 106 H LYS 106 5.999 -5.259 -16.716 810 HA LYS 106 HA LYS 106 6.993 -6.693 -14.570 811 HB2 LYS 106 HB2 LYS 106 8.338 -5.028 -16.682 812 HB3 LYS 106 HB3 LYS 106 9.278 -5.845 -15.439 813 HG2 LYS 106 HG2 LYS 106 7.314 -7.319 -17.162 814 HG3 LYS 106 HG3 LYS 106 8.982 -7.036 -17.668 815 HD2 LYS 106 HD2 LYS 106 9.501 -8.904 -16.563 816 HD3 LYS 106 HD3 LYS 106 9.223 -7.991 -15.079 817 HE2 LYS 106 HE2 LYS 106 7.086 -8.851 -14.802 818 HE3 LYS 106 HE3 LYS 106 6.935 -9.291 -16.502 819 HZ1 LYS 106 HZ1 LYS 106 8.448 -11.092 -16.189 820 HZ2 LYS 106 HZ2 LYS 106 7.256 -11.206 -14.994 821 HZ3 LYS 106 HZ3 LYS 106 8.792 -10.615 -14.603 822 H PHE 107 H PHE 107 7.394 -3.217 -15.232 823 HA PHE 107 HA PHE 107 8.927 -2.521 -13.046 824 HB2 PHE 107 HB2 PHE 107 6.969 -1.082 -14.761 825 HB3 PHE 107 HB3 PHE 107 7.441 -0.305 -13.254 826 HD1 PHE 107 HD1 PHE 107 9.042 -2.065 -16.130 827 HD2 PHE 107 HD2 PHE 107 9.217 1.138 -13.332 828 HE1 PHE 107 HE1 PHE 107 11.097 -1.243 -17.204 829 HE2 PHE 107 HE2 PHE 107 11.272 1.965 -14.402 830 HZ PHE 107 HZ PHE 107 12.216 0.774 -16.340 831 H ALA 108 H ALA 108 5.392 -2.748 -13.258 832 HA ALA 108 HA ALA 108 4.834 -1.890 -10.640 833 HB1 ALA 108 HB1 ALA 108 3.234 -2.188 -12.620 834 HB2 ALA 108 HB2 ALA 108 3.135 -3.874 -12.113 835 HB3 ALA 108 HB3 ALA 108 2.638 -2.592 -11.010 836 H MET 109 H MET 109 5.297 -5.147 -11.982 837 HA MET 109 HA MET 109 4.772 -6.592 -9.647 838 HB2 MET 109 HB2 MET 109 5.026 -7.514 -11.982 839 HB3 MET 109 HB3 MET 109 6.766 -7.367 -11.777 840 HG2 MET 109 HG2 MET 109 6.606 -9.492 -11.094 841 HG3 MET 109 HG3 MET 109 6.150 -8.755 -9.560 842 HE1 MET 109 HE1 MET 109 4.457 -11.369 -8.942 843 HE2 MET 109 HE2 MET 109 4.190 -12.106 -10.522 844 HE3 MET 109 HE3 MET 109 5.785 -11.485 -10.097 845 H GLY 110 H GLY 110 7.837 -5.310 -10.912 846 HA2 GLY 110 HA2 GLY 110 9.561 -6.343 -8.992 847 HA3 GLY 110 HA3 GLY 110 9.820 -4.837 -9.859 848 H LYS 111 H LYS 111 7.522 -3.469 -8.847 849 HA LYS 111 HA LYS 111 8.613 -2.393 -6.478 850 HB2 LYS 111 HB2 LYS 111 7.061 -1.264 -8.173 851 HB3 LYS 111 HB3 LYS 111 5.743 -2.080 -7.344 852 HG2 LYS 111 HG2 LYS 111 7.076 -0.916 -5.268 853 HG3 LYS 111 HG3 LYS 111 7.293 0.267 -6.560 854 HD2 LYS 111 HD2 LYS 111 4.639 -0.440 -6.790 855 HD3 LYS 111 HD3 LYS 111 4.904 -0.433 -5.045 856 HE2 LYS 111 HE2 LYS 111 5.311 1.808 -4.979 857 HE3 LYS 111 HE3 LYS 111 6.000 1.841 -6.601 858 HZ1 LYS 111 HZ1 LYS 111 3.605 1.373 -7.345 859 HZ2 LYS 111 HZ2 LYS 111 3.997 2.941 -6.843 860 HZ3 LYS 111 HZ3 LYS 111 3.164 1.903 -5.800 861 H ILE 112 H ILE 112 6.009 -4.698 -7.073 862 HA ILE 112 HA ILE 112 4.946 -4.843 -4.500 863 HB ILE 112 HB ILE 112 5.195 -7.080 -6.516 864 HG12 ILE 112 HG12 ILE 112 2.842 -5.251 -6.017 865 HG13 ILE 112 HG13 ILE 112 4.040 -4.957 -7.273 866 HG21 ILE 112 HG21 ILE 112 4.122 -6.990 -3.841 867 HG22 ILE 112 HG22 ILE 112 2.869 -7.393 -5.014 868 HG23 ILE 112 HG23 ILE 112 4.335 -8.368 -4.921 869 HD11 ILE 112 HD11 ILE 112 2.558 -6.072 -8.537 870 HD12 ILE 112 HD12 ILE 112 3.369 -7.485 -7.863 871 HD13 ILE 112 HD13 ILE 112 1.854 -6.919 -7.160 872 H ASP 113 H ASP 113 7.586 -6.712 -5.967 873 HA ASP 113 HA ASP 113 8.114 -8.393 -3.799 874 HB2 ASP 113 HB2 ASP 113 9.652 -7.455 -6.169 875 HB3 ASP 113 HB3 ASP 113 10.558 -8.210 -4.861 876 H ALA 114 H ALA 114 9.628 -5.287 -4.660 877 HA ALA 114 HA ALA 114 11.329 -5.147 -2.423 878 HB1 ALA 114 HB1 ALA 114 11.620 -2.812 -2.992 879 HB2 ALA 114 HB2 ALA 114 11.621 -3.793 -4.458 880 HB3 ALA 114 HB3 ALA 114 10.190 -2.859 -4.024 881 H TYR 115 H TYR 115 8.007 -4.105 -2.935 882 HA TYR 115 HA TYR 115 7.615 -2.466 -0.750 883 HB2 TYR 115 HB2 TYR 115 5.909 -2.804 -2.461 884 HB3 TYR 115 HB3 TYR 115 5.688 -4.471 -1.943 885 HD1 TYR 115 HD1 TYR 115 5.961 -1.318 0.037 886 HD2 TYR 115 HD2 TYR 115 3.540 -4.632 -1.085 887 HE1 TYR 115 HE1 TYR 115 4.235 -0.588 1.629 888 HE2 TYR 115 HE2 TYR 115 1.807 -3.911 0.504 889 HH TYR 115 HH TYR 115 1.536 -0.995 1.732 890 H ILE 116 H ILE 116 7.369 -6.004 -0.904 891 HA ILE 116 HA ILE 116 6.626 -6.367 1.799 892 HB ILE 116 HB ILE 116 8.090 -8.345 0.052 893 HG12 ILE 116 HG12 ILE 116 6.115 -7.529 -1.121 894 HG13 ILE 116 HG13 ILE 116 5.842 -9.176 -0.562 895 HG21 ILE 116 HG21 ILE 116 7.042 -8.437 2.729 896 HG22 ILE 116 HG22 ILE 116 6.233 -9.621 1.704 897 HG23 ILE 116 HG23 ILE 116 7.989 -9.640 1.854 898 HD11 ILE 116 HD11 ILE 116 3.872 -7.827 -0.222 899 HD12 ILE 116 HD12 ILE 116 4.558 -8.299 1.333 900 HD13 ILE 116 HD13 ILE 116 4.801 -6.663 0.722 901 H SER 117 H SER 117 9.758 -6.390 0.151 902 HA SER 117 HA SER 117 11.354 -7.234 2.272 903 HB2 SER 117 HB2 SER 117 11.754 -6.056 -0.324 904 HB3 SER 117 HB3 SER 117 12.848 -5.310 0.841 905 HG SER 117 HG SER 117 13.506 -7.363 -0.274 906 H GLN 118 H GLN 118 10.287 -3.973 1.389 907 HA GLN 118 HA GLN 118 11.360 -2.993 3.948 908 HB2 GLN 118 HB2 GLN 118 11.152 -0.721 2.891 909 HB3 GLN 118 HB3 GLN 118 12.336 -1.783 2.140 910 HG2 GLN 118 HG2 GLN 118 9.833 -2.158 0.844 911 HG3 GLN 118 HG3 GLN 118 10.170 -0.431 0.937 912 HE21 GLN 118 HE21 GLN 118 12.329 -3.213 0.580 913 HE22 GLN 118 HE22 GLN 118 13.031 -2.698 -0.912 914 H LYS 119 H LYS 119 9.318 -4.112 4.753 915 HA LYS 119 HA LYS 119 7.037 -2.254 4.575 916 HB2 LYS 119 HB2 LYS 119 6.945 -4.827 3.842 917 HB3 LYS 119 HB3 LYS 119 6.627 -5.029 5.560 918 HG2 LYS 119 HG2 LYS 119 4.693 -3.623 5.431 919 HG3 LYS 119 HG3 LYS 119 5.061 -3.196 3.758 920 HD2 LYS 119 HD2 LYS 119 4.403 -5.250 2.948 921 HD3 LYS 119 HD3 LYS 119 4.709 -6.070 4.481 922 HE2 LYS 119 HE2 LYS 119 2.583 -3.994 4.402 923 HE3 LYS 119 HE3 LYS 119 2.254 -5.545 3.633 924 HZ1 LYS 119 HZ1 LYS 119 3.424 -5.778 6.251 925 HZ2 LYS 119 HZ2 LYS 119 2.071 -6.557 5.597 926 HZ3 LYS 119 HZ3 LYS 119 1.918 -5.007 6.257 927 H VAL 120 H VAL 120 9.343 -3.759 6.616 928 HA VAL 120 HA VAL 120 7.967 -3.587 9.085 929 HB VAL 120 HB VAL 120 10.003 -4.964 8.734 930 HG11 VAL 120 HG11 VAL 120 11.444 -2.314 8.810 931 HG12 VAL 120 HG12 VAL 120 12.200 -3.909 8.794 932 HG13 VAL 120 HG13 VAL 120 11.275 -3.356 7.397 933 HG21 VAL 120 HG21 VAL 120 10.415 -4.927 10.939 934 HG22 VAL 120 HG22 VAL 120 10.886 -3.227 10.919 935 HG23 VAL 120 HG23 VAL 120 9.180 -3.669 10.994 936 H GLY 121 H GLY 121 9.615 -1.258 7.123 937 HA2 GLY 121 HA2 GLY 121 8.608 0.961 8.472 938 HA3 GLY 121 HA3 GLY 121 10.211 0.654 9.126 939 H GLY 122 H GLY 122 8.745 0.607 5.868 940 HA2 GLY 122 HA2 GLY 122 10.612 2.690 5.030 941 HA3 GLY 122 HA3 GLY 122 10.762 1.131 4.233 942 H LEU 123 H LEU 123 8.303 0.306 3.721 943 HA LEU 123 HA LEU 123 7.079 2.505 2.187 944 HB2 LEU 123 HB2 LEU 123 7.595 -0.354 1.467 945 HB3 LEU 123 HB3 LEU 123 6.295 0.544 0.688 946 HG LEU 123 HG LEU 123 9.216 1.298 0.629 947 HD11 LEU 123 HD11 LEU 123 7.496 0.166 -1.570 948 HD12 LEU 123 HD12 LEU 123 8.660 -0.767 -0.630 949 HD13 LEU 123 HD13 LEU 123 9.214 0.559 -1.653 950 HD21 LEU 123 HD21 LEU 123 7.845 2.568 -1.423 951 HD22 LEU 123 HD22 LEU 123 8.452 3.308 0.058 952 HD23 LEU 123 HD23 LEU 123 6.787 2.731 -0.021 953 H GLU 124 H GLU 124 6.639 0.129 4.560 954 HA GLU 124 HA GLU 124 4.847 -0.524 5.800 955 HB2 GLU 124 HB2 GLU 124 4.292 2.147 4.982 956 HB3 GLU 124 HB3 GLU 124 2.792 1.234 4.895 957 HG2 GLU 124 HG2 GLU 124 2.754 2.029 7.050 958 HG3 GLU 124 HG3 GLU 124 3.433 0.417 7.263 Start of MODEL 8 1 H1 MET 1 H1 MET 1 0.492 -0.605 0.234 2 HA MET 1 HA MET 1 0.655 1.267 -1.163 3 HB2 MET 1 HB2 MET 1 -0.296 3.430 -0.494 4 HB3 MET 1 HB3 MET 1 -1.502 2.152 -0.443 5 HG2 MET 1 HG2 MET 1 -0.458 2.168 2.112 6 HG3 MET 1 HG3 MET 1 -0.526 3.872 1.669 7 HE1 MET 1 HE1 MET 1 -2.177 5.225 1.675 8 HE2 MET 1 HE2 MET 1 -3.456 4.784 0.543 9 HE3 MET 1 HE3 MET 1 -3.819 4.952 2.260 10 H SER 2 H SER 2 2.373 2.689 -1.325 11 HA SER 2 HA SER 2 4.457 2.385 0.546 12 HB2 SER 2 HB2 SER 2 4.383 4.655 -1.422 13 HB3 SER 2 HB3 SER 2 5.760 3.686 -0.898 14 HG SER 2 HG SER 2 3.774 3.099 -2.780 15 H GLN 3 H GLN 3 5.627 4.267 1.553 16 HA GLN 3 HA GLN 3 3.678 5.893 3.006 17 HB2 GLN 3 HB2 GLN 3 5.782 4.419 3.910 18 HB3 GLN 3 HB3 GLN 3 6.511 6.016 3.805 19 HG2 GLN 3 HG2 GLN 3 4.220 5.101 5.493 20 HG3 GLN 3 HG3 GLN 3 5.711 5.905 5.979 21 HE21 GLN 3 HE21 GLN 3 5.980 8.143 5.057 22 HE22 GLN 3 HE22 GLN 3 4.579 9.153 5.045 23 H ASN 4 H ASN 4 3.293 7.855 2.233 24 HA ASN 4 HA ASN 4 5.051 9.193 0.434 25 HB2 ASN 4 HB2 ASN 4 2.794 10.524 1.917 26 HB3 ASN 4 HB3 ASN 4 3.404 10.874 0.302 27 HD21 ASN 4 HD21 ASN 4 1.557 8.625 2.237 28 HD22 ASN 4 HD22 ASN 4 0.710 7.891 0.922 29 H ARG 5 H ARG 5 7.004 9.266 1.688 30 HA ARG 5 HA ARG 5 7.378 11.748 3.006 31 HB2 ARG 5 HB2 ARG 5 6.287 10.525 4.852 32 HB3 ARG 5 HB3 ARG 5 7.530 9.285 4.753 33 HG2 ARG 5 HG2 ARG 5 9.227 10.953 5.348 34 HG3 ARG 5 HG3 ARG 5 7.961 12.175 5.480 35 HD2 ARG 5 HD2 ARG 5 7.766 9.637 7.048 36 HD3 ARG 5 HD3 ARG 5 8.807 10.943 7.612 37 HE ARG 5 HE ARG 5 6.403 12.140 7.102 38 HH11 ARG 5 HH11 ARG 5 7.478 9.491 9.089 39 HH12 ARG 5 HH12 ARG 5 6.253 9.724 10.291 40 HH21 ARG 5 HH21 ARG 5 4.785 12.457 8.679 41 HH22 ARG 5 HH22 ARG 5 4.721 11.411 10.057 42 H GLN 6 H GLN 6 8.908 8.604 3.645 43 HA GLN 6 HA GLN 6 11.250 9.485 2.107 44 HB2 GLN 6 HB2 GLN 6 12.738 9.172 3.821 45 HB3 GLN 6 HB3 GLN 6 11.341 9.719 4.738 46 HG2 GLN 6 HG2 GLN 6 12.246 6.875 4.358 47 HG3 GLN 6 HG3 GLN 6 12.347 7.833 5.835 48 HE21 GLN 6 HE21 GLN 6 10.889 5.294 4.918 49 HE22 GLN 6 HE22 GLN 6 9.278 5.530 5.497 50 H LEU 7 H LEU 7 12.620 7.773 1.364 51 HA LEU 7 HA LEU 7 11.172 5.229 1.090 52 HB2 LEU 7 HB2 LEU 7 12.878 6.832 -0.694 53 HB3 LEU 7 HB3 LEU 7 13.140 5.090 -0.763 54 HG LEU 7 HG LEU 7 11.484 6.207 -2.415 55 HD11 LEU 7 HD11 LEU 7 11.213 3.669 -0.896 56 HD12 LEU 7 HD12 LEU 7 11.541 3.937 -2.608 57 HD13 LEU 7 HD13 LEU 7 9.904 4.136 -1.983 58 HD21 LEU 7 HD21 LEU 7 9.544 5.762 -0.175 59 HD22 LEU 7 HD22 LEU 7 9.311 6.623 -1.697 60 HD23 LEU 7 HD23 LEU 7 10.303 7.335 -0.423 61 H LEU 8 H LEU 8 11.979 3.429 1.956 62 HA LEU 8 HA LEU 8 14.062 3.377 3.762 63 HB2 LEU 8 HB2 LEU 8 12.233 1.653 3.357 64 HB3 LEU 8 HB3 LEU 8 13.282 0.997 2.101 65 HG LEU 8 HG LEU 8 14.720 1.261 4.585 66 HD11 LEU 8 HD11 LEU 8 12.602 -0.788 4.857 67 HD12 LEU 8 HD12 LEU 8 12.161 0.882 5.212 68 HD13 LEU 8 HD13 LEU 8 13.480 0.111 6.094 69 HD21 LEU 8 HD21 LEU 8 15.605 -0.699 3.913 70 HD22 LEU 8 HD22 LEU 8 14.836 -0.288 2.380 71 HD23 LEU 8 HD23 LEU 8 14.036 -1.391 3.500 72 H TYR 9 H TYR 9 14.222 1.751 0.592 73 HA TYR 9 HA TYR 9 16.613 2.935 -0.255 74 HB2 TYR 9 HB2 TYR 9 16.927 0.769 1.668 75 HB3 TYR 9 HB3 TYR 9 17.751 0.435 0.149 76 HD1 TYR 9 HD1 TYR 9 18.842 2.891 -0.745 77 HD2 TYR 9 HD2 TYR 9 18.412 1.520 3.259 78 HE1 TYR 9 HE1 TYR 9 20.707 4.338 -0.056 79 HE2 TYR 9 HE2 TYR 9 20.276 2.964 3.960 80 HH TYR 9 HH TYR 9 22.139 4.119 3.087 81 HA PRO 10 HA PRO 10 14.240 0.400 -3.320 82 HB2 PRO 10 HB2 PRO 10 14.080 2.380 -5.170 83 HB3 PRO 10 HB3 PRO 10 12.912 2.197 -3.857 84 HG2 PRO 10 HG2 PRO 10 15.262 4.040 -4.057 85 HG3 PRO 10 HG3 PRO 10 13.625 4.375 -3.463 86 HD2 PRO 10 HD2 PRO 10 15.711 3.911 -1.801 87 HD3 PRO 10 HD3 PRO 10 14.047 3.440 -1.399 88 H ARG 11 H ARG 11 15.529 -0.961 -4.382 89 HA ARG 11 HA ARG 11 17.166 -0.210 -6.520 90 HB2 ARG 11 HB2 ARG 11 19.385 -0.927 -5.447 91 HB3 ARG 11 HB3 ARG 11 18.784 0.685 -5.081 92 HG2 ARG 11 HG2 ARG 11 18.179 0.102 -2.912 93 HG3 ARG 11 HG3 ARG 11 18.193 -1.625 -3.272 94 HD2 ARG 11 HD2 ARG 11 20.775 -0.752 -3.842 95 HD3 ARG 11 HD3 ARG 11 20.332 0.090 -2.357 96 HE ARG 11 HE ARG 11 19.600 -2.459 -1.850 97 HH11 ARG 11 HH11 ARG 11 22.548 -1.017 -3.011 98 HH12 ARG 11 HH12 ARG 11 23.570 -2.229 -2.311 99 HH21 ARG 11 HH21 ARG 11 20.934 -4.060 -0.924 100 HH22 ARG 11 HH22 ARG 11 22.651 -3.960 -1.125 101 H GLU 12 H GLU 12 16.620 -2.557 -3.943 102 HA GLU 12 HA GLU 12 17.705 -4.825 -5.115 103 HB2 GLU 12 HB2 GLU 12 15.826 -4.238 -2.981 104 HB3 GLU 12 HB3 GLU 12 15.396 -5.718 -3.828 105 HG2 GLU 12 HG2 GLU 12 17.602 -6.629 -3.416 106 HG3 GLU 12 HG3 GLU 12 18.095 -5.128 -2.633 107 H GLU 13 H GLU 13 14.753 -3.132 -5.840 108 HA GLU 13 HA GLU 13 13.765 -5.285 -7.531 109 HB2 GLU 13 HB2 GLU 13 11.779 -3.987 -7.788 110 HB3 GLU 13 HB3 GLU 13 12.240 -3.900 -6.093 111 HG2 GLU 13 HG2 GLU 13 13.150 -1.694 -6.405 112 HG3 GLU 13 HG3 GLU 13 12.851 -1.780 -8.140 113 H MET 14 H MET 14 15.286 -2.143 -7.799 114 HA MET 14 HA MET 14 14.834 -1.493 -10.434 115 HB2 MET 14 HB2 MET 14 16.904 -0.900 -8.447 116 HB3 MET 14 HB3 MET 14 17.474 -0.796 -10.107 117 HG2 MET 14 HG2 MET 14 16.751 1.333 -9.826 118 HG3 MET 14 HG3 MET 14 15.261 0.599 -10.413 119 HE1 MET 14 HE1 MET 14 15.541 3.157 -6.906 120 HE2 MET 14 HE2 MET 14 16.866 2.761 -8.000 121 HE3 MET 14 HE3 MET 14 15.370 3.445 -8.638 122 H VAL 15 H VAL 15 17.276 -3.703 -9.123 123 HA VAL 15 HA VAL 15 18.507 -4.285 -11.609 124 HB VAL 15 HB VAL 15 19.526 -6.198 -10.467 125 HG11 VAL 15 HG11 VAL 15 19.985 -4.506 -8.261 126 HG12 VAL 15 HG12 VAL 15 20.965 -4.682 -9.718 127 HG13 VAL 15 HG13 VAL 15 19.692 -3.463 -9.652 128 HG21 VAL 15 HG21 VAL 15 17.718 -5.475 -8.162 129 HG22 VAL 15 HG22 VAL 15 17.583 -6.916 -9.170 130 HG23 VAL 15 HG23 VAL 15 18.993 -6.693 -8.134 131 H SER 16 H SER 16 15.720 -5.562 -9.945 132 HA SER 16 HA SER 16 15.428 -8.018 -11.222 133 HB2 SER 16 HB2 SER 16 14.039 -6.868 -9.303 134 HB3 SER 16 HB3 SER 16 13.012 -6.347 -10.638 135 HG SER 16 HG SER 16 13.683 -9.003 -9.905 136 H LEU 17 H LEU 17 14.117 -4.847 -12.165 137 HA LEU 17 HA LEU 17 12.776 -5.631 -14.467 138 HB2 LEU 17 HB2 LEU 17 14.233 -3.036 -13.989 139 HB3 LEU 17 HB3 LEU 17 12.982 -3.312 -15.199 140 HG LEU 17 HG LEU 17 11.696 -2.318 -13.626 141 HD11 LEU 17 HD11 LEU 17 10.978 -4.722 -13.853 142 HD12 LEU 17 HD12 LEU 17 10.432 -3.894 -12.395 143 HD13 LEU 17 HD13 LEU 17 11.784 -5.023 -12.313 144 HD21 LEU 17 HD21 LEU 17 12.423 -3.117 -11.072 145 HD22 LEU 17 HD22 LEU 17 12.813 -1.581 -11.847 146 HD23 LEU 17 HD23 LEU 17 13.958 -2.920 -11.920 147 H VAL 18 H VAL 18 15.948 -3.997 -14.448 148 HA VAL 18 HA VAL 18 16.639 -4.449 -17.073 149 HB VAL 18 HB VAL 18 17.919 -3.015 -15.504 150 HG11 VAL 18 HG11 VAL 18 17.996 -4.536 -13.600 151 HG12 VAL 18 HG12 VAL 18 19.036 -5.635 -14.508 152 HG13 VAL 18 HG13 VAL 18 19.620 -4.030 -14.066 153 HG21 VAL 18 HG21 VAL 18 19.919 -4.919 -16.606 154 HG22 VAL 18 HG22 VAL 18 18.788 -4.158 -17.725 155 HG23 VAL 18 HG23 VAL 18 19.845 -3.161 -16.726 156 H ARG 19 H ARG 19 16.822 -6.645 -14.353 157 HA ARG 19 HA ARG 19 18.445 -8.604 -15.636 158 HB2 ARG 19 HB2 ARG 19 16.758 -8.520 -13.168 159 HB3 ARG 19 HB3 ARG 19 17.299 -10.079 -13.776 160 HG2 ARG 19 HG2 ARG 19 19.606 -9.398 -13.592 161 HG3 ARG 19 HG3 ARG 19 19.115 -7.776 -13.100 162 HD2 ARG 19 HD2 ARG 19 19.782 -9.109 -11.172 163 HD3 ARG 19 HD3 ARG 19 18.069 -8.698 -11.094 164 HE ARG 19 HE ARG 19 18.366 -11.207 -12.327 165 HH11 ARG 19 HH11 ARG 19 18.695 -9.680 -9.216 166 HH12 ARG 19 HH12 ARG 19 18.346 -11.124 -8.324 167 HH21 ARG 19 HH21 ARG 19 17.906 -13.115 -11.165 168 HH22 ARG 19 HH22 ARG 19 17.899 -13.078 -9.434 169 H SER 20 H SER 20 14.973 -8.088 -15.325 170 HA SER 20 HA SER 20 14.096 -10.549 -16.336 171 HB2 SER 20 HB2 SER 20 12.024 -9.654 -16.148 172 HB3 SER 20 HB3 SER 20 12.860 -8.315 -15.362 173 HG SER 20 HG SER 20 12.981 -7.315 -17.442 174 H LEU 21 H LEU 21 15.265 -7.670 -17.931 175 HA LEU 21 HA LEU 21 14.649 -8.836 -20.554 176 HB2 LEU 21 HB2 LEU 21 14.959 -6.669 -21.482 177 HB3 LEU 21 HB3 LEU 21 13.921 -6.508 -20.066 178 HG LEU 21 HG LEU 21 16.583 -6.077 -19.208 179 HD11 LEU 21 HD11 LEU 21 16.106 -3.985 -21.203 180 HD12 LEU 21 HD12 LEU 21 16.554 -5.553 -21.873 181 HD13 LEU 21 HD13 LEU 21 17.609 -4.761 -20.703 182 HD21 LEU 21 HD21 LEU 21 15.552 -3.665 -19.054 183 HD22 LEU 21 HD22 LEU 21 14.968 -4.969 -18.020 184 HD23 LEU 21 HD23 LEU 21 14.060 -4.514 -19.462 185 H ASP 22 H ASP 22 16.325 -8.590 -22.249 186 HA ASP 22 HA ASP 22 19.007 -8.065 -21.775 187 HB2 ASP 22 HB2 ASP 22 18.257 -10.409 -20.459 188 HB3 ASP 22 HB3 ASP 22 19.061 -10.965 -21.925 189 H ARG 23 H ARG 23 19.046 -7.307 -23.837 190 HA ARG 23 HA ARG 23 19.498 -9.164 -25.938 191 HB2 ARG 23 HB2 ARG 23 16.900 -8.972 -25.635 192 HB3 ARG 23 HB3 ARG 23 17.110 -7.441 -26.475 193 HG2 ARG 23 HG2 ARG 23 16.856 -8.640 -28.335 194 HG3 ARG 23 HG3 ARG 23 18.521 -9.157 -28.061 195 HD2 ARG 23 HD2 ARG 23 16.019 -10.584 -27.167 196 HD3 ARG 23 HD3 ARG 23 17.106 -11.082 -28.463 197 HE ARG 23 HE ARG 23 18.382 -10.817 -25.896 198 HH11 ARG 23 HH11 ARG 23 16.629 -12.935 -28.032 199 HH12 ARG 23 HH12 ARG 23 17.243 -14.385 -27.310 200 HH21 ARG 23 HH21 ARG 23 19.197 -12.719 -24.937 201 HH22 ARG 23 HH22 ARG 23 18.703 -14.261 -25.549 202 HA PRO 24 HA PRO 24 21.291 -4.862 -26.282 203 HB2 PRO 24 HB2 PRO 24 23.882 -5.669 -26.357 204 HB3 PRO 24 HB3 PRO 24 23.023 -5.336 -24.849 205 HG2 PRO 24 HG2 PRO 24 23.575 -7.963 -26.174 206 HG3 PRO 24 HG3 PRO 24 23.692 -7.529 -24.458 207 HD2 PRO 24 HD2 PRO 24 21.574 -8.871 -25.480 208 HD3 PRO 24 HD3 PRO 24 21.421 -7.740 -24.120 209 H GLN 25 H GLN 25 20.165 -5.231 -28.400 210 HA GLN 25 HA GLN 25 21.589 -6.526 -30.517 211 HB2 GLN 25 HB2 GLN 25 19.339 -4.528 -30.765 212 HB3 GLN 25 HB3 GLN 25 19.843 -5.715 -31.961 213 HG2 GLN 25 HG2 GLN 25 19.287 -7.238 -29.729 214 HG3 GLN 25 HG3 GLN 25 18.041 -5.990 -29.709 215 HE21 GLN 25 HE21 GLN 25 19.562 -8.427 -31.754 216 HE22 GLN 25 HE22 GLN 25 18.168 -8.745 -32.723 217 H GLU 26 H GLU 26 20.931 -3.122 -29.708 218 HA GLU 26 HA GLU 26 22.639 -2.143 -31.796 219 HB2 GLU 26 HB2 GLU 26 20.790 -1.025 -29.849 220 HB3 GLU 26 HB3 GLU 26 22.252 -0.059 -29.994 221 HG2 GLU 26 HG2 GLU 26 21.075 -0.896 -32.545 222 HG3 GLU 26 HG3 GLU 26 20.073 0.185 -31.579 223 H ASN 27 H ASN 27 22.845 -2.285 -28.249 224 HA ASN 27 HA ASN 27 24.599 -2.062 -26.813 225 HB2 ASN 27 HB2 ASN 27 25.166 -4.182 -28.098 226 HB3 ASN 27 HB3 ASN 27 26.274 -3.200 -29.052 227 HD21 ASN 27 HD21 ASN 27 25.511 -4.217 -25.768 228 HD22 ASN 27 HD22 ASN 27 27.126 -4.105 -25.165 229 H GLY 28 H GLY 28 24.164 0.336 -27.545 230 HA2 GLY 28 HA2 GLY 28 26.752 1.565 -27.727 231 HA3 GLY 28 HA3 GLY 28 25.796 1.797 -29.183 232 H LEU 29 H LEU 29 23.252 1.951 -27.860 233 HA LEU 29 HA LEU 29 23.218 3.906 -25.834 234 HB2 LEU 29 HB2 LEU 29 24.059 5.488 -27.335 235 HB3 LEU 29 HB3 LEU 29 23.086 4.870 -28.668 236 HG LEU 29 HG LEU 29 21.644 6.054 -26.360 237 HD11 LEU 29 HD11 LEU 29 22.101 8.198 -28.066 238 HD12 LEU 29 HD12 LEU 29 23.690 7.473 -27.823 239 HD13 LEU 29 HD13 LEU 29 22.734 7.988 -26.433 240 HD21 LEU 29 HD21 LEU 29 21.264 5.610 -29.259 241 HD22 LEU 29 HD22 LEU 29 20.526 7.057 -28.573 242 HD23 LEU 29 HD23 LEU 29 20.117 5.468 -27.926 243 H PHE 30 H PHE 30 21.624 2.464 -28.610 244 HA PHE 30 HA PHE 30 18.973 3.139 -27.865 245 HB2 PHE 30 HB2 PHE 30 20.270 1.405 -29.862 246 HB3 PHE 30 HB3 PHE 30 18.675 0.866 -29.345 247 HD1 PHE 30 HD1 PHE 30 20.427 3.957 -30.472 248 HD2 PHE 30 HD2 PHE 30 16.829 1.683 -30.441 249 HE1 PHE 30 HE1 PHE 30 19.389 5.586 -31.995 250 HE2 PHE 30 HE2 PHE 30 15.785 3.309 -31.965 251 HZ PHE 30 HZ PHE 30 17.065 5.264 -32.743 252 H SER 31 H SER 31 21.194 1.011 -26.516 253 HA SER 31 HA SER 31 19.174 -0.100 -24.767 254 HB2 SER 31 HB2 SER 31 20.866 -1.867 -26.547 255 HB3 SER 31 HB3 SER 31 19.975 -2.452 -25.142 256 HG SER 31 HG SER 31 19.066 -1.742 -27.639 257 H GLN 32 H GLN 32 21.641 1.618 -24.736 258 HA GLN 32 HA GLN 32 22.799 0.445 -22.359 259 HB2 GLN 32 HB2 GLN 32 24.085 0.082 -24.843 260 HB3 GLN 32 HB3 GLN 32 25.001 1.319 -23.992 261 HG2 GLN 32 HG2 GLN 32 25.941 -0.824 -23.503 262 HG3 GLN 32 HG3 GLN 32 25.169 -0.194 -22.049 263 HE21 GLN 32 HE21 GLN 32 24.288 -2.121 -24.900 264 HE22 GLN 32 HE22 GLN 32 23.394 -3.314 -24.028 265 H ASP 33 H ASP 33 24.750 2.017 -21.687 266 HA ASP 33 HA ASP 33 23.531 4.663 -21.590 267 HB2 ASP 33 HB2 ASP 33 25.853 3.480 -20.052 268 HB3 ASP 33 HB3 ASP 33 25.208 5.101 -19.807 269 H VAL 34 H VAL 34 24.046 5.933 -23.259 270 HA VAL 34 HA VAL 34 26.271 5.751 -24.904 271 HB VAL 34 HB VAL 34 24.206 7.097 -25.365 272 HG11 VAL 34 HG11 VAL 34 24.129 9.409 -24.570 273 HG12 VAL 34 HG12 VAL 34 24.066 8.265 -23.227 274 HG13 VAL 34 HG13 VAL 34 25.566 9.121 -23.588 275 HG21 VAL 34 HG21 VAL 34 26.965 7.778 -25.976 276 HG22 VAL 34 HG22 VAL 34 25.560 7.686 -27.038 277 HG23 VAL 34 HG23 VAL 34 25.878 9.159 -26.121 278 H LEU 35 H LEU 35 25.972 7.130 -21.748 279 HA LEU 35 HA LEU 35 28.177 8.892 -21.813 280 HB2 LEU 35 HB2 LEU 35 27.313 7.423 -19.350 281 HB3 LEU 35 HB3 LEU 35 27.950 9.060 -19.496 282 HG LEU 35 HG LEU 35 25.193 8.120 -20.282 283 HD11 LEU 35 HD11 LEU 35 25.801 8.470 -17.824 284 HD12 LEU 35 HD12 LEU 35 24.391 9.324 -18.448 285 HD13 LEU 35 HD13 LEU 35 25.915 10.183 -18.227 286 HD21 LEU 35 HD21 LEU 35 26.128 9.835 -21.819 287 HD22 LEU 35 HD22 LEU 35 26.342 10.903 -20.431 288 HD23 LEU 35 HD23 LEU 35 24.723 10.390 -20.906 289 H LEU 36 H LEU 36 27.948 5.467 -21.618 290 HA LEU 36 HA LEU 36 30.633 5.143 -20.554 291 HB2 LEU 36 HB2 LEU 36 28.356 3.349 -21.187 292 HB3 LEU 36 HB3 LEU 36 29.976 2.658 -21.232 293 HG LEU 36 HG LEU 36 30.285 3.446 -18.875 294 HD11 LEU 36 HD11 LEU 36 27.700 3.633 -17.949 295 HD12 LEU 36 HD12 LEU 36 27.675 4.600 -19.423 296 HD13 LEU 36 HD13 LEU 36 28.834 4.970 -18.147 297 HD21 LEU 36 HD21 LEU 36 29.566 1.125 -19.578 298 HD22 LEU 36 HD22 LEU 36 27.921 1.610 -19.168 299 HD23 LEU 36 HD23 LEU 36 29.171 1.593 -17.924 300 H GLN 37 H GLN 37 29.663 6.180 -23.378 301 HA GLN 37 HA GLN 37 31.227 4.399 -25.076 302 HB2 GLN 37 HB2 GLN 37 29.736 6.906 -25.860 303 HB3 GLN 37 HB3 GLN 37 30.351 5.659 -26.937 304 HG2 GLN 37 HG2 GLN 37 28.192 5.246 -24.881 305 HG3 GLN 37 HG3 GLN 37 27.916 5.541 -26.597 306 HE21 GLN 37 HE21 GLN 37 27.165 3.248 -24.984 307 HE22 GLN 37 HE22 GLN 37 27.907 1.872 -25.718 308 H TYR 38 H TYR 38 31.032 7.951 -24.930 309 HA TYR 38 HA TYR 38 33.843 8.216 -24.391 310 HB2 TYR 38 HB2 TYR 38 32.759 8.570 -27.153 311 HB3 TYR 38 HB3 TYR 38 34.035 9.650 -26.602 312 HD1 TYR 38 HD1 TYR 38 35.843 8.039 -25.106 313 HD2 TYR 38 HD2 TYR 38 33.626 6.981 -28.580 314 HE1 TYR 38 HE1 TYR 38 37.528 6.333 -25.654 315 HE2 TYR 38 HE2 TYR 38 35.305 5.271 -29.137 316 HH TYR 38 HH TYR 38 37.186 3.897 -27.379 317 HA PRO 39 HA PRO 39 32.426 12.035 -22.740 318 HB2 PRO 39 HB2 PRO 39 34.757 13.427 -22.714 319 HB3 PRO 39 HB3 PRO 39 34.412 12.111 -21.586 320 HG2 PRO 39 HG2 PRO 39 36.028 12.072 -24.106 321 HG3 PRO 39 HG3 PRO 39 36.382 11.324 -22.537 322 HD2 PRO 39 HD2 PRO 39 35.386 9.921 -24.629 323 HD3 PRO 39 HD3 PRO 39 35.000 9.524 -22.942 324 H GLU 40 H GLU 40 31.105 12.579 -24.599 325 HA GLU 40 HA GLU 40 31.711 15.083 -25.702 326 HB2 GLU 40 HB2 GLU 40 31.762 14.255 -28.149 327 HB3 GLU 40 HB3 GLU 40 33.244 14.179 -27.206 328 HG2 GLU 40 HG2 GLU 40 31.899 11.740 -26.799 329 HG3 GLU 40 HG3 GLU 40 31.838 12.080 -28.528 330 H LEU 41 H LEU 41 29.918 12.078 -25.981 331 HA LEU 41 HA LEU 41 27.582 13.577 -26.954 332 HB2 LEU 41 HB2 LEU 41 26.679 11.264 -27.446 333 HB3 LEU 41 HB3 LEU 41 28.025 11.820 -28.438 334 HG LEU 41 HG LEU 41 28.015 9.382 -27.613 335 HD11 LEU 41 HD11 LEU 41 30.105 9.491 -28.335 336 HD12 LEU 41 HD12 LEU 41 30.615 10.231 -26.818 337 HD13 LEU 41 HD13 LEU 41 30.068 11.245 -28.152 338 HD21 LEU 41 HD21 LEU 41 28.909 8.979 -25.428 339 HD22 LEU 41 HD22 LEU 41 27.476 9.994 -25.259 340 HD23 LEU 41 HD23 LEU 41 29.083 10.709 -25.126 341 H ALA 42 H ALA 42 28.854 12.736 -24.127 342 HA ALA 42 HA ALA 42 26.626 11.474 -22.832 343 HB1 ALA 42 HB1 ALA 42 28.222 11.005 -21.366 344 HB2 ALA 42 HB2 ALA 42 29.332 12.114 -22.174 345 HB3 ALA 42 HB3 ALA 42 28.266 12.706 -20.900 346 H GLU 43 H GLU 43 27.901 14.770 -23.035 347 HA GLU 43 HA GLU 43 26.075 15.919 -21.203 348 HB2 GLU 43 HB2 GLU 43 27.720 17.110 -23.434 349 HB3 GLU 43 HB3 GLU 43 26.722 18.079 -22.359 350 HG2 GLU 43 HG2 GLU 43 28.794 18.233 -21.376 351 HG3 GLU 43 HG3 GLU 43 28.051 16.917 -20.470 352 H SER 44 H SER 44 25.916 15.185 -24.610 353 HA SER 44 HA SER 44 23.631 16.796 -25.177 354 HB2 SER 44 HB2 SER 44 24.131 16.240 -27.290 355 HB3 SER 44 HB3 SER 44 25.450 15.250 -26.666 356 HG SER 44 HG SER 44 23.965 13.510 -26.529 357 H TYR 45 H TYR 45 24.129 13.585 -23.937 358 HA TYR 45 HA TYR 45 21.336 12.853 -24.285 359 HB2 TYR 45 HB2 TYR 45 23.592 11.356 -24.322 360 HB3 TYR 45 HB3 TYR 45 23.100 11.136 -22.647 361 HD1 TYR 45 HD1 TYR 45 21.252 11.326 -25.896 362 HD2 TYR 45 HD2 TYR 45 22.036 9.117 -22.345 363 HE1 TYR 45 HE1 TYR 45 19.626 9.621 -26.604 364 HE2 TYR 45 HE2 TYR 45 20.414 7.406 -23.044 365 HH TYR 45 HH TYR 45 18.270 7.880 -25.693 366 H THR 46 H THR 46 23.600 13.011 -21.531 367 HA THR 46 HA THR 46 21.781 12.726 -19.479 368 HB THR 46 HB THR 46 24.260 12.794 -19.199 369 HG1 THR 46 HG1 THR 46 22.618 13.166 -17.451 370 HG21 THR 46 HG21 THR 46 24.259 15.098 -20.528 371 HG22 THR 46 HG22 THR 46 25.505 14.703 -19.345 372 HG23 THR 46 HG23 THR 46 24.158 15.748 -18.892 373 H LYS 47 H LYS 47 22.437 15.525 -21.454 374 HA LYS 47 HA LYS 47 21.382 17.563 -19.900 375 HB2 LYS 47 HB2 LYS 47 22.469 18.172 -21.908 376 HB3 LYS 47 HB3 LYS 47 21.437 17.130 -22.879 377 HG2 LYS 47 HG2 LYS 47 20.099 19.297 -21.380 378 HG3 LYS 47 HG3 LYS 47 21.122 19.774 -22.737 379 HD2 LYS 47 HD2 LYS 47 19.672 18.981 -24.253 380 HD3 LYS 47 HD3 LYS 47 19.366 17.511 -23.326 381 HE2 LYS 47 HE2 LYS 47 17.450 18.329 -22.548 382 HE3 LYS 47 HE3 LYS 47 18.249 19.795 -21.982 383 HZ1 LYS 47 HZ1 LYS 47 17.210 20.888 -23.584 384 HZ2 LYS 47 HZ2 LYS 47 16.549 19.460 -24.206 385 HZ3 LYS 47 HZ3 LYS 47 18.060 19.995 -24.743 386 H VAL 48 H VAL 48 19.778 14.943 -21.459 387 HA VAL 48 HA VAL 48 17.155 16.210 -21.129 388 HB VAL 48 HB VAL 48 17.544 13.474 -22.288 389 HG11 VAL 48 HG11 VAL 48 15.336 15.026 -21.809 390 HG12 VAL 48 HG12 VAL 48 15.663 15.338 -23.515 391 HG13 VAL 48 HG13 VAL 48 15.418 13.685 -22.951 392 HG21 VAL 48 HG21 VAL 48 17.776 14.537 -24.523 393 HG22 VAL 48 HG22 VAL 48 17.998 16.090 -23.717 394 HG23 VAL 48 HG23 VAL 48 19.169 14.793 -23.472 395 H CYS 49 H CYS 49 18.822 13.167 -20.323 396 HA CYS 49 HA CYS 49 17.994 13.047 -17.678 397 HB2 CYS 49 HB2 CYS 49 15.952 12.107 -17.618 398 HB3 CYS 49 HB3 CYS 49 15.811 12.611 -19.297 399 HG CYS 49 HG CYS 49 17.136 9.991 -19.976 400 HA PRO 50 HA PRO 50 20.763 9.648 -17.620 401 HB2 PRO 50 HB2 PRO 50 19.756 8.067 -15.656 402 HB3 PRO 50 HB3 PRO 50 20.547 9.615 -15.332 403 HG2 PRO 50 HG2 PRO 50 17.626 8.975 -15.486 404 HG3 PRO 50 HG3 PRO 50 18.489 9.990 -14.316 405 HD2 PRO 50 HD2 PRO 50 17.101 11.025 -16.398 406 HD3 PRO 50 HD3 PRO 50 18.561 11.796 -15.746 407 H ASN 51 H ASN 51 20.069 8.936 -19.784 408 HA ASN 51 HA ASN 51 19.580 7.247 -21.231 409 HB2 ASN 51 HB2 ASN 51 18.923 5.522 -18.844 410 HB3 ASN 51 HB3 ASN 51 19.450 5.002 -20.442 411 HD21 ASN 51 HD21 ASN 51 21.555 6.703 -20.888 412 HD22 ASN 51 HD22 ASN 51 22.817 6.367 -19.757 413 H ARG 52 H ARG 52 17.804 6.925 -22.430 414 HA ARG 52 HA ARG 52 15.190 7.113 -21.082 415 HB2 ARG 52 HB2 ARG 52 15.880 8.058 -23.870 416 HB3 ARG 52 HB3 ARG 52 14.319 8.212 -23.075 417 HG2 ARG 52 HG2 ARG 52 15.066 9.869 -21.640 418 HG3 ARG 52 HG3 ARG 52 16.761 9.430 -21.858 419 HD2 ARG 52 HD2 ARG 52 16.682 11.311 -23.149 420 HD3 ARG 52 HD3 ARG 52 16.252 10.102 -24.357 421 HE ARG 52 HE ARG 52 13.955 11.159 -23.039 422 HH11 ARG 52 HH11 ARG 52 16.300 11.801 -25.530 423 HH12 ARG 52 HH12 ARG 52 15.248 12.839 -26.435 424 HH21 ARG 52 HH21 ARG 52 12.560 12.523 -24.220 425 HH22 ARG 52 HH22 ARG 52 13.121 13.250 -25.688 426 H CYS 53 H CYS 53 16.776 4.722 -21.725 427 HA CYS 53 HA CYS 53 15.168 3.474 -23.832 428 HB2 CYS 53 HB2 CYS 53 17.739 2.694 -22.469 429 HB3 CYS 53 HB3 CYS 53 16.833 1.554 -23.457 430 HG CYS 53 HG CYS 53 16.984 3.216 -25.764 431 H ASP 54 H ASP 54 16.580 2.002 -20.940 432 HA ASP 54 HA ASP 54 14.265 1.658 -19.441 433 HB2 ASP 54 HB2 ASP 54 14.420 -0.102 -21.736 434 HB3 ASP 54 HB3 ASP 54 14.408 -1.024 -20.234 435 H LEU 55 H LEU 55 16.669 -0.761 -20.475 436 HA LEU 55 HA LEU 55 17.279 -1.603 -17.865 437 HB2 LEU 55 HB2 LEU 55 19.290 -2.638 -18.925 438 HB3 LEU 55 HB3 LEU 55 17.751 -3.060 -19.673 439 HG LEU 55 HG LEU 55 19.114 -0.782 -20.920 440 HD11 LEU 55 HD11 LEU 55 20.451 -2.905 -22.080 441 HD12 LEU 55 HD12 LEU 55 20.590 -3.210 -20.349 442 HD13 LEU 55 HD13 LEU 55 21.148 -1.678 -21.021 443 HD21 LEU 55 HD21 LEU 55 18.330 -3.284 -22.321 444 HD22 LEU 55 HD22 LEU 55 18.155 -1.602 -22.822 445 HD23 LEU 55 HD23 LEU 55 17.058 -2.282 -21.621 446 H ALA 56 H ALA 56 18.721 0.839 -19.948 447 HA ALA 56 HA ALA 56 20.968 1.348 -18.264 448 HB1 ALA 56 HB1 ALA 56 21.282 3.349 -19.666 449 HB2 ALA 56 HB2 ALA 56 21.060 1.883 -20.622 450 HB3 ALA 56 HB3 ALA 56 19.731 3.028 -20.441 451 H THR 57 H THR 57 17.714 2.630 -18.511 452 HA THR 57 HA THR 57 18.182 4.857 -16.766 453 HB THR 57 HB THR 57 15.484 3.661 -17.378 454 HG1 THR 57 HG1 THR 57 16.190 3.992 -19.397 455 HG21 THR 57 HG21 THR 57 16.487 6.390 -16.602 456 HG22 THR 57 HG22 THR 57 15.313 5.375 -15.765 457 HG23 THR 57 HG23 THR 57 14.886 6.137 -17.297 458 H ALA 58 H ALA 58 16.586 1.699 -16.417 459 HA ALA 58 HA ALA 58 15.871 2.014 -13.707 460 HB1 ALA 58 HB1 ALA 58 16.136 -0.322 -15.546 461 HB2 ALA 58 HB2 ALA 58 15.891 -0.592 -13.820 462 HB3 ALA 58 HB3 ALA 58 14.702 0.324 -14.747 463 H ALA 59 H ALA 59 18.671 0.455 -15.242 464 HA ALA 59 HA ALA 59 19.894 -0.430 -12.865 465 HB1 ALA 59 HB1 ALA 59 20.433 -1.199 -15.190 466 HB2 ALA 59 HB2 ALA 59 21.321 0.309 -15.412 467 HB3 ALA 59 HB3 ALA 59 21.835 -0.844 -14.180 468 H ASP 60 H ASP 60 20.177 2.581 -14.692 469 HA ASP 60 HA ASP 60 22.290 3.666 -13.131 470 HB2 ASP 60 HB2 ASP 60 20.315 4.819 -15.080 471 HB3 ASP 60 HB3 ASP 60 21.382 5.874 -14.157 472 H ARG 61 H ARG 61 18.770 3.910 -12.992 473 HA ARG 61 HA ARG 61 18.487 5.926 -11.120 474 HB2 ARG 61 HB2 ARG 61 16.839 3.882 -12.253 475 HB3 ARG 61 HB3 ARG 61 16.556 3.932 -10.518 476 HG2 ARG 61 HG2 ARG 61 14.997 5.371 -11.683 477 HG3 ARG 61 HG3 ARG 61 16.078 6.325 -10.665 478 HD2 ARG 61 HD2 ARG 61 16.948 5.887 -13.453 479 HD3 ARG 61 HD3 ARG 61 15.537 6.920 -13.230 480 HE ARG 61 HE ARG 61 18.264 7.520 -12.518 481 HH11 ARG 61 HH11 ARG 61 14.908 8.263 -11.966 482 HH12 ARG 61 HH12 ARG 61 15.224 9.859 -11.370 483 HH21 ARG 61 HH21 ARG 61 18.693 9.619 -11.735 484 HH22 ARG 61 HH22 ARG 61 17.378 10.630 -11.241 485 H ALA 62 H ALA 62 19.027 2.464 -10.586 486 HA ALA 62 HA ALA 62 19.085 2.800 -7.711 487 HB1 ALA 62 HB1 ALA 62 18.337 0.707 -7.946 488 HB2 ALA 62 HB2 ALA 62 18.981 0.563 -9.582 489 HB3 ALA 62 HB3 ALA 62 20.028 0.273 -8.193 490 H ALA 63 H ALA 63 21.399 2.015 -10.289 491 HA ALA 63 HA ALA 63 23.671 1.607 -8.765 492 HB1 ALA 63 HB1 ALA 63 24.950 2.163 -10.742 493 HB2 ALA 63 HB2 ALA 63 23.527 1.223 -11.193 494 HB3 ALA 63 HB3 ALA 63 23.551 2.967 -11.453 495 H LYS 64 H LYS 64 22.013 4.569 -9.502 496 HA LYS 64 HA LYS 64 24.054 6.425 -9.041 497 HB2 LYS 64 HB2 LYS 64 21.067 6.517 -8.802 498 HB3 LYS 64 HB3 LYS 64 22.028 7.885 -8.257 499 HG2 LYS 64 HG2 LYS 64 22.733 6.913 -10.925 500 HG3 LYS 64 HG3 LYS 64 21.087 7.536 -10.784 501 HD2 LYS 64 HD2 LYS 64 22.149 9.496 -11.228 502 HD3 LYS 64 HD3 LYS 64 22.371 9.475 -9.477 503 HE2 LYS 64 HE2 LYS 64 24.597 8.865 -9.637 504 HE3 LYS 64 HE3 LYS 64 24.399 8.181 -11.250 505 HZ1 LYS 64 HZ1 LYS 64 23.785 10.930 -11.313 506 HZ2 LYS 64 HZ2 LYS 64 25.014 10.101 -12.129 507 HZ3 LYS 64 HZ3 LYS 64 25.297 10.723 -10.582 508 H GLY 65 H GLY 65 22.416 4.338 -6.873 509 HA2 GLY 65 HA2 GLY 65 23.518 4.022 -4.704 510 HA3 GLY 65 HA3 GLY 65 23.648 5.772 -4.602 511 H ALA 66 H ALA 66 20.713 4.655 -5.917 512 HA ALA 66 HA ALA 66 18.561 4.877 -5.185 513 HB1 ALA 66 HB1 ALA 66 17.982 3.543 -3.289 514 HB2 ALA 66 HB2 ALA 66 19.287 2.726 -4.150 515 HB3 ALA 66 HB3 ALA 66 19.631 3.616 -2.667 516 H TYR 67 H TYR 67 19.189 7.273 -5.118 517 HA TYR 67 HA TYR 67 19.794 8.692 -2.846 518 HB2 TYR 67 HB2 TYR 67 18.676 9.270 -5.423 519 HB3 TYR 67 HB3 TYR 67 17.806 10.189 -4.199 520 HD1 TYR 67 HD1 TYR 67 21.220 9.460 -5.474 521 HD2 TYR 67 HD2 TYR 67 18.741 12.131 -3.279 522 HE1 TYR 67 HE1 TYR 67 23.052 11.099 -5.412 523 HE2 TYR 67 HE2 TYR 67 20.566 13.779 -3.211 524 HH TYR 67 HH TYR 67 22.929 13.918 -3.428 525 H GLY 68 H GLY 68 16.752 7.211 -3.745 526 HA2 GLY 68 HA2 GLY 68 14.935 6.695 -2.416 527 HA3 GLY 68 HA3 GLY 68 15.794 7.388 -1.048 528 H TYR 69 H TYR 69 13.900 8.403 -0.305 529 HA TYR 69 HA TYR 69 12.412 10.107 -0.076 530 HB2 TYR 69 HB2 TYR 69 14.677 11.327 -0.509 531 HB3 TYR 69 HB3 TYR 69 13.970 11.715 -2.074 532 HD1 TYR 69 HD1 TYR 69 12.592 11.626 1.403 533 HD2 TYR 69 HD2 TYR 69 13.288 13.916 -2.115 534 HE1 TYR 69 HE1 TYR 69 11.408 13.529 2.415 535 HE2 TYR 69 HE2 TYR 69 12.107 15.826 -1.112 536 HH TYR 69 HH TYR 69 10.414 16.231 0.635 537 H ASP 70 H ASP 70 10.654 9.102 -1.042 538 HA ASP 70 HA ASP 70 9.848 10.265 -3.586 539 HB2 ASP 70 HB2 ASP 70 10.931 7.723 -3.568 540 HB3 ASP 70 HB3 ASP 70 9.198 7.416 -3.497 541 H VAL 71 H VAL 71 7.893 11.079 -3.280 542 HA VAL 71 HA VAL 71 6.299 10.587 -1.029 543 HB VAL 71 HB VAL 71 6.150 12.639 -2.405 544 HG11 VAL 71 HG11 VAL 71 4.417 11.165 -4.345 545 HG12 VAL 71 HG12 VAL 71 5.243 12.714 -4.530 546 HG13 VAL 71 HG13 VAL 71 6.164 11.210 -4.577 547 HG21 VAL 71 HG21 VAL 71 4.367 12.184 -0.863 548 HG22 VAL 71 HG22 VAL 71 3.667 12.821 -2.351 549 HG23 VAL 71 HG23 VAL 71 3.591 11.092 -2.010 550 H GLN 72 H GLN 72 6.511 8.960 -4.079 551 HA GLN 72 HA GLN 72 5.007 6.749 -3.207 552 HB2 GLN 72 HB2 GLN 72 3.221 8.570 -3.678 553 HB3 GLN 72 HB3 GLN 72 3.562 8.246 -5.372 554 HG2 GLN 72 HG2 GLN 72 1.617 7.005 -4.503 555 HG3 GLN 72 HG3 GLN 72 2.889 5.962 -5.136 556 HE21 GLN 72 HE21 GLN 72 2.619 7.615 -2.023 557 HE22 GLN 72 HE22 GLN 72 2.679 6.183 -1.058 558 H LEU 73 H LEU 73 7.487 6.990 -4.321 559 HA LEU 73 HA LEU 73 8.853 6.247 -5.987 560 HB2 LEU 73 HB2 LEU 73 6.481 4.471 -6.540 561 HB3 LEU 73 HB3 LEU 73 8.122 4.202 -7.122 562 HG LEU 73 HG LEU 73 7.931 2.734 -5.334 563 HD11 LEU 73 HD11 LEU 73 8.976 5.061 -3.787 564 HD12 LEU 73 HD12 LEU 73 9.839 4.506 -5.221 565 HD13 LEU 73 HD13 LEU 73 9.574 3.403 -3.870 566 HD21 LEU 73 HD21 LEU 73 6.850 4.776 -3.445 567 HD22 LEU 73 HD22 LEU 73 6.691 3.019 -3.416 568 HD23 LEU 73 HD23 LEU 73 5.760 3.969 -4.575 569 H THR 74 H THR 74 7.377 8.555 -6.647 570 HA THR 74 HA THR 74 6.215 8.335 -9.241 571 HB THR 74 HB THR 74 7.297 10.808 -7.876 572 HG1 THR 74 HG1 THR 74 5.139 11.068 -7.177 573 HG21 THR 74 HG21 THR 74 5.794 10.318 -10.381 574 HG22 THR 74 HG22 THR 74 6.935 11.600 -9.977 575 HG23 THR 74 HG23 THR 74 5.272 11.683 -9.396 576 H THR 75 H THR 75 9.437 8.610 -8.069 577 HA THR 75 HA THR 75 10.670 9.838 -10.284 578 HB THR 75 HB THR 75 12.765 8.938 -9.449 579 HG1 THR 75 HG1 THR 75 11.121 7.341 -7.749 580 HG21 THR 75 HG21 THR 75 11.983 9.413 -6.814 581 HG22 THR 75 HG22 THR 75 10.850 10.340 -7.796 582 HG23 THR 75 HG23 THR 75 12.586 10.600 -7.969 583 H LEU 76 H LEU 76 10.260 6.398 -9.460 584 HA LEU 76 HA LEU 76 11.421 5.484 -11.906 585 HB2 LEU 76 HB2 LEU 76 10.785 4.351 -9.471 586 HB3 LEU 76 HB3 LEU 76 9.632 3.610 -10.579 587 HG LEU 76 HG LEU 76 11.961 3.312 -11.955 588 HD11 LEU 76 HD11 LEU 76 12.686 2.756 -9.092 589 HD12 LEU 76 HD12 LEU 76 13.150 4.241 -9.921 590 HD13 LEU 76 HD13 LEU 76 13.719 2.683 -10.519 591 HD21 LEU 76 HD21 LEU 76 11.175 1.281 -9.906 592 HD22 LEU 76 HD22 LEU 76 11.676 1.050 -11.581 593 HD23 LEU 76 HD23 LEU 76 10.071 1.687 -11.221 594 H LYS 77 H LYS 77 8.140 6.016 -10.739 595 HA LYS 77 HA LYS 77 6.796 4.814 -12.915 596 HB2 LYS 77 HB2 LYS 77 6.085 6.138 -10.522 597 HB3 LYS 77 HB3 LYS 77 5.284 7.002 -11.828 598 HG2 LYS 77 HG2 LYS 77 3.800 5.321 -11.031 599 HG3 LYS 77 HG3 LYS 77 4.375 4.826 -12.624 600 HD2 LYS 77 HD2 LYS 77 4.429 2.902 -11.217 601 HD3 LYS 77 HD3 LYS 77 6.099 3.421 -11.463 602 HE2 LYS 77 HE2 LYS 77 5.216 4.806 -9.202 603 HE3 LYS 77 HE3 LYS 77 4.591 3.168 -9.016 604 HZ1 LYS 77 HZ1 LYS 77 7.335 4.119 -8.983 605 HZ2 LYS 77 HZ2 LYS 77 7.078 2.651 -9.784 606 HZ3 LYS 77 HZ3 LYS 77 6.628 2.820 -8.162 607 H GLU 78 H GLU 78 7.916 8.110 -12.313 608 HA GLU 78 HA GLU 78 6.740 9.229 -14.650 609 HB2 GLU 78 HB2 GLU 78 7.427 10.546 -12.646 610 HB3 GLU 78 HB3 GLU 78 9.107 10.253 -13.074 611 HG2 GLU 78 HG2 GLU 78 8.050 11.273 -15.394 612 HG3 GLU 78 HG3 GLU 78 7.215 12.185 -14.138 613 H ASP 79 H ASP 79 9.720 7.568 -13.981 614 HA ASP 79 HA ASP 79 11.134 8.398 -16.304 615 HB2 ASP 79 HB2 ASP 79 11.596 6.671 -14.055 616 HB3 ASP 79 HB3 ASP 79 12.046 5.833 -15.538 617 H ILE 80 H ILE 80 9.276 5.467 -15.528 618 HA ILE 80 HA ILE 80 9.630 4.113 -17.930 619 HB ILE 80 HB ILE 80 7.504 4.066 -15.838 620 HG12 ILE 80 HG12 ILE 80 9.646 2.834 -15.578 621 HG13 ILE 80 HG13 ILE 80 8.245 1.769 -15.581 622 HG21 ILE 80 HG21 ILE 80 6.068 3.781 -17.640 623 HG22 ILE 80 HG22 ILE 80 7.272 2.911 -18.589 624 HG23 ILE 80 HG23 ILE 80 6.499 2.125 -17.213 625 HD11 ILE 80 HD11 ILE 80 9.205 2.053 -18.249 626 HD12 ILE 80 HD12 ILE 80 10.544 1.624 -17.186 627 HD13 ILE 80 HD13 ILE 80 9.105 0.605 -17.247 628 H ARG 81 H ARG 81 7.040 6.373 -17.010 629 HA ARG 81 HA ARG 81 5.668 6.268 -19.471 630 HB2 ARG 81 HB2 ARG 81 4.578 8.354 -18.715 631 HB3 ARG 81 HB3 ARG 81 4.586 7.110 -17.473 632 HG2 ARG 81 HG2 ARG 81 6.415 8.203 -16.335 633 HG3 ARG 81 HG3 ARG 81 6.526 9.408 -17.619 634 HD2 ARG 81 HD2 ARG 81 4.270 8.990 -15.668 635 HD3 ARG 81 HD3 ARG 81 5.330 10.392 -15.806 636 HE ARG 81 HE ARG 81 4.111 10.216 -18.241 637 HH11 ARG 81 HH11 ARG 81 3.010 10.442 -14.946 638 HH12 ARG 81 HH12 ARG 81 1.551 11.282 -15.354 639 HH21 ARG 81 HH21 ARG 81 2.193 11.322 -18.791 640 HH22 ARG 81 HH22 ARG 81 1.087 11.782 -17.541 641 H LEU 82 H LEU 82 8.388 8.159 -18.348 642 HA LEU 82 HA LEU 82 8.356 10.065 -20.461 643 HB2 LEU 82 HB2 LEU 82 9.499 10.300 -18.225 644 HB3 LEU 82 HB3 LEU 82 10.742 9.212 -18.838 645 HG LEU 82 HG LEU 82 11.289 11.671 -18.903 646 HD11 LEU 82 HD11 LEU 82 11.346 10.636 -21.690 647 HD12 LEU 82 HD12 LEU 82 12.165 9.712 -20.430 648 HD13 LEU 82 HD13 LEU 82 12.624 11.388 -20.734 649 HD21 LEU 82 HD21 LEU 82 9.542 11.798 -21.331 650 HD22 LEU 82 HD22 LEU 82 10.256 13.113 -20.396 651 HD23 LEU 82 HD23 LEU 82 8.899 12.199 -19.738 652 H MET 83 H MET 83 10.075 7.016 -19.928 653 HA MET 83 HA MET 83 11.647 7.148 -22.281 654 HB2 MET 83 HB2 MET 83 10.786 4.786 -20.604 655 HB3 MET 83 HB3 MET 83 11.965 4.696 -21.906 656 HG2 MET 83 HG2 MET 83 13.437 6.205 -20.722 657 HG3 MET 83 HG3 MET 83 12.240 6.403 -19.444 658 HE1 MET 83 HE1 MET 83 12.733 3.582 -17.120 659 HE2 MET 83 HE2 MET 83 13.069 5.312 -17.177 660 HE3 MET 83 HE3 MET 83 11.540 4.690 -17.798 661 H VAL 84 H VAL 84 8.688 5.302 -21.534 662 HA VAL 84 HA VAL 84 8.286 4.127 -24.003 663 HB VAL 84 HB VAL 84 6.947 3.610 -21.994 664 HG11 VAL 84 HG11 VAL 84 5.052 5.031 -21.391 665 HG12 VAL 84 HG12 VAL 84 6.581 5.892 -21.206 666 HG13 VAL 84 HG13 VAL 84 5.549 6.214 -22.601 667 HG21 VAL 84 HG21 VAL 84 5.240 4.435 -24.340 668 HG22 VAL 84 HG22 VAL 84 6.196 2.955 -24.258 669 HG23 VAL 84 HG23 VAL 84 4.858 3.204 -23.137 670 H ASN 85 H ASN 85 7.611 7.404 -22.968 671 HA ASN 85 HA ASN 85 5.956 8.161 -25.125 672 HB2 ASN 85 HB2 ASN 85 7.493 9.563 -23.011 673 HB3 ASN 85 HB3 ASN 85 7.089 10.509 -24.440 674 HD21 ASN 85 HD21 ASN 85 6.148 10.452 -21.560 675 HD22 ASN 85 HD22 ASN 85 4.425 10.438 -21.687 676 H ASN 86 H ASN 86 9.453 8.528 -24.595 677 HA ASN 86 HA ASN 86 9.896 9.669 -27.187 678 HB2 ASN 86 HB2 ASN 86 11.321 9.646 -24.856 679 HB3 ASN 86 HB3 ASN 86 12.206 8.464 -25.815 680 HD21 ASN 86 HD21 ASN 86 13.884 9.345 -26.760 681 HD22 ASN 86 HD22 ASN 86 13.953 10.921 -27.464 682 H CYS 87 H CYS 87 9.589 6.497 -25.957 683 HA CYS 87 HA CYS 87 11.238 5.085 -27.752 684 HB2 CYS 87 HB2 CYS 87 9.999 4.285 -25.600 685 HB3 CYS 87 HB3 CYS 87 8.669 3.944 -26.700 686 HG CYS 87 HG CYS 87 10.352 1.663 -25.984 687 H ILE 88 H ILE 88 7.674 5.232 -27.812 688 HA ILE 88 HA ILE 88 7.487 4.355 -30.493 689 HB ILE 88 HB ILE 88 5.136 4.946 -30.374 690 HG12 ILE 88 HG12 ILE 88 4.532 5.898 -27.926 691 HG13 ILE 88 HG13 ILE 88 6.096 6.670 -28.160 692 HG21 ILE 88 HG21 ILE 88 6.430 3.129 -28.763 693 HG22 ILE 88 HG22 ILE 88 5.367 3.976 -27.641 694 HG23 ILE 88 HG23 ILE 88 4.694 3.189 -29.069 695 HD11 ILE 88 HD11 ILE 88 4.954 7.231 -30.519 696 HD12 ILE 88 HD12 ILE 88 3.521 7.159 -29.494 697 HD13 ILE 88 HD13 ILE 88 4.832 8.271 -29.100 698 H LEU 89 H LEU 89 7.791 7.508 -29.030 699 HA LEU 89 HA LEU 89 6.979 9.030 -31.286 700 HB2 LEU 89 HB2 LEU 89 6.978 10.018 -29.096 701 HB3 LEU 89 HB3 LEU 89 8.705 9.718 -28.915 702 HG LEU 89 HG LEU 89 7.984 11.408 -31.208 703 HD11 LEU 89 HD11 LEU 89 7.774 12.624 -28.474 704 HD12 LEU 89 HD12 LEU 89 6.355 12.034 -29.340 705 HD13 LEU 89 HD13 LEU 89 7.340 13.323 -30.034 706 HD21 LEU 89 HD21 LEU 89 10.245 11.335 -30.844 707 HD22 LEU 89 HD22 LEU 89 10.073 11.246 -29.091 708 HD23 LEU 89 HD23 LEU 89 9.821 12.780 -29.925 709 H PHE 90 H PHE 90 10.237 8.480 -29.933 710 HA PHE 90 HA PHE 90 11.559 9.499 -32.234 711 HB2 PHE 90 HB2 PHE 90 12.443 9.297 -29.814 712 HB3 PHE 90 HB3 PHE 90 12.831 7.635 -30.245 713 HD1 PHE 90 HD1 PHE 90 13.374 11.138 -31.371 714 HD2 PHE 90 HD2 PHE 90 14.858 7.151 -31.243 715 HE1 PHE 90 HE1 PHE 90 15.490 11.898 -32.369 716 HE2 PHE 90 HE2 PHE 90 16.977 7.905 -32.241 717 HZ PHE 90 HZ PHE 90 17.296 10.281 -32.804 718 H ASN 91 H ASN 91 11.473 6.179 -30.926 719 HA ASN 91 HA ASN 91 10.798 4.906 -33.309 720 HB2 ASN 91 HB2 ASN 91 13.464 5.843 -33.346 721 HB3 ASN 91 HB3 ASN 91 13.551 4.098 -33.125 722 HD21 ASN 91 HD21 ASN 91 11.683 3.023 -34.569 723 HD22 ASN 91 HD22 ASN 91 11.784 3.473 -36.234 724 H GLY 92 H GLY 92 9.700 3.384 -32.215 725 HA2 GLY 92 HA2 GLY 92 11.226 1.390 -30.765 726 HA3 GLY 92 HA3 GLY 92 10.061 2.276 -29.792 727 H ALA 93 H ALA 93 7.793 2.290 -30.638 728 HA ALA 93 HA ALA 93 7.127 -0.409 -31.560 729 HB1 ALA 93 HB1 ALA 93 4.877 0.061 -30.714 730 HB2 ALA 93 HB2 ALA 93 6.105 0.301 -29.470 731 HB3 ALA 93 HB3 ALA 93 5.385 1.693 -30.280 732 H GLU 94 H GLU 94 5.424 2.688 -31.956 733 HA GLU 94 HA GLU 94 4.443 3.666 -33.761 734 HB2 GLU 94 HB2 GLU 94 7.024 3.127 -34.510 735 HB3 GLU 94 HB3 GLU 94 6.106 2.343 -35.788 736 HG2 GLU 94 HG2 GLU 94 5.595 5.181 -34.966 737 HG3 GLU 94 HG3 GLU 94 6.811 4.750 -36.167 738 H GLY 95 H GLY 95 3.833 0.785 -32.920 739 HA2 GLY 95 HA2 GLY 95 1.656 0.321 -34.573 740 HA3 GLY 95 HA3 GLY 95 2.987 -0.604 -35.252 741 H ALA 96 H ALA 96 4.164 -1.048 -32.569 742 HA ALA 96 HA ALA 96 2.226 -3.047 -31.596 743 HB1 ALA 96 HB1 ALA 96 5.232 -3.242 -31.728 744 HB2 ALA 96 HB2 ALA 96 4.181 -4.420 -30.939 745 HB3 ALA 96 HB3 ALA 96 4.065 -4.160 -32.680 746 H TYR 97 H TYR 97 1.758 -0.840 -30.388 747 HA TYR 97 HA TYR 97 3.367 0.135 -28.370 748 HB2 TYR 97 HB2 TYR 97 1.313 0.925 -27.295 749 HB3 TYR 97 HB3 TYR 97 1.244 1.176 -29.036 750 HD1 TYR 97 HD1 TYR 97 -0.075 -0.797 -26.228 751 HD2 TYR 97 HD2 TYR 97 -0.355 0.002 -30.398 752 HE1 TYR 97 HE1 TYR 97 -2.212 -2.010 -26.311 753 HE2 TYR 97 HE2 TYR 97 -2.495 -1.208 -30.492 754 HH TYR 97 HH TYR 97 -3.641 -3.119 -27.870 755 H ALA 98 H ALA 98 1.523 -2.816 -28.477 756 HA ALA 98 HA ALA 98 1.314 -3.447 -25.784 757 HB1 ALA 98 HB1 ALA 98 0.335 -5.220 -26.685 758 HB2 ALA 98 HB2 ALA 98 0.999 -4.805 -28.265 759 HB3 ALA 98 HB3 ALA 98 1.914 -5.840 -27.168 760 H ASP 99 H ASP 99 4.099 -3.425 -27.847 761 HA ASP 99 HA ASP 99 5.769 -5.153 -26.374 762 HB2 ASP 99 HB2 ASP 99 6.602 -2.769 -28.040 763 HB3 ASP 99 HB3 ASP 99 7.610 -4.143 -27.594 764 H ALA 100 H ALA 100 5.010 -1.739 -26.058 765 HA ALA 100 HA ALA 100 7.021 -1.271 -24.047 766 HB1 ALA 100 HB1 ALA 100 5.818 0.942 -23.820 767 HB2 ALA 100 HB2 ALA 100 6.504 0.589 -25.406 768 HB3 ALA 100 HB3 ALA 100 4.772 0.403 -25.134 769 H ALA 101 H ALA 101 3.691 -2.236 -24.134 770 HA ALA 101 HA ALA 101 3.019 -1.541 -21.461 771 HB1 ALA 101 HB1 ALA 101 1.086 -1.884 -22.568 772 HB2 ALA 101 HB2 ALA 101 1.789 -3.095 -23.641 773 HB3 ALA 101 HB3 ALA 101 1.301 -3.542 -22.007 774 H ARG 102 H ARG 102 4.591 -4.282 -22.939 775 HA ARG 102 HA ARG 102 4.269 -6.163 -20.883 776 HB2 ARG 102 HB2 ARG 102 5.351 -6.275 -23.330 777 HB3 ARG 102 HB3 ARG 102 6.830 -6.128 -22.390 778 HG2 ARG 102 HG2 ARG 102 4.983 -8.106 -21.315 779 HG3 ARG 102 HG3 ARG 102 5.512 -8.459 -22.962 780 HD2 ARG 102 HD2 ARG 102 7.722 -7.575 -21.334 781 HD3 ARG 102 HD3 ARG 102 6.904 -8.948 -20.589 782 HE ARG 102 HE ARG 102 7.317 -9.474 -23.322 783 HH11 ARG 102 HH11 ARG 102 9.081 -9.166 -20.336 784 HH12 ARG 102 HH12 ARG 102 10.347 -10.244 -20.821 785 HH21 ARG 102 HH21 ARG 102 8.978 -10.895 -23.972 786 HH22 ARG 102 HH22 ARG 102 10.288 -11.226 -22.890 787 H THR 103 H THR 103 6.963 -3.919 -21.516 788 HA THR 103 HA THR 103 8.431 -4.587 -19.200 789 HB THR 103 HB THR 103 9.520 -3.463 -21.051 790 HG1 THR 103 HG1 THR 103 9.478 -1.661 -18.849 791 HG21 THR 103 HG21 THR 103 9.082 -1.060 -21.490 792 HG22 THR 103 HG22 THR 103 7.708 -1.140 -20.388 793 HG23 THR 103 HG23 THR 103 7.705 -2.093 -21.872 794 H PHE 104 H PHE 104 5.826 -2.333 -19.793 795 HA PHE 104 HA PHE 104 6.091 -0.709 -17.529 796 HB2 PHE 104 HB2 PHE 104 4.593 -0.055 -19.289 797 HB3 PHE 104 HB3 PHE 104 3.646 -1.528 -19.103 798 HD1 PHE 104 HD1 PHE 104 4.388 1.769 -17.704 799 HD2 PHE 104 HD2 PHE 104 2.046 -1.764 -17.319 800 HE1 PHE 104 HE1 PHE 104 2.900 2.931 -16.127 801 HE2 PHE 104 HE2 PHE 104 0.554 -0.607 -15.742 802 HZ PHE 104 HZ PHE 104 0.980 1.743 -15.143 803 H GLU 105 H GLU 105 3.938 -3.519 -17.988 804 HA GLU 105 HA GLU 105 2.962 -3.675 -15.399 805 HB2 GLU 105 HB2 GLU 105 3.329 -5.657 -17.602 806 HB3 GLU 105 HB3 GLU 105 2.880 -6.248 -16.008 807 HG2 GLU 105 HG2 GLU 105 1.352 -4.088 -17.425 808 HG3 GLU 105 HG3 GLU 105 0.994 -5.803 -17.623 809 H LYS 106 H LYS 106 5.933 -5.003 -16.760 810 HA LYS 106 HA LYS 106 6.726 -6.606 -14.621 811 HB2 LYS 106 HB2 LYS 106 8.323 -5.076 -16.671 812 HB3 LYS 106 HB3 LYS 106 9.076 -6.138 -15.488 813 HG2 LYS 106 HG2 LYS 106 6.939 -7.056 -17.392 814 HG3 LYS 106 HG3 LYS 106 8.664 -7.136 -17.755 815 HD2 LYS 106 HD2 LYS 106 8.908 -8.436 -15.586 816 HD3 LYS 106 HD3 LYS 106 7.148 -8.564 -15.583 817 HE2 LYS 106 HE2 LYS 106 7.113 -9.916 -17.456 818 HE3 LYS 106 HE3 LYS 106 8.683 -9.348 -18.022 819 HZ1 LYS 106 HZ1 LYS 106 9.755 -10.887 -16.827 820 HZ2 LYS 106 HZ2 LYS 106 8.265 -11.687 -16.773 821 HZ3 LYS 106 HZ3 LYS 106 8.749 -10.712 -15.478 822 H PHE 107 H PHE 107 7.367 -3.171 -15.244 823 HA PHE 107 HA PHE 107 9.045 -2.643 -13.100 824 HB2 PHE 107 HB2 PHE 107 7.336 -1.075 -14.891 825 HB3 PHE 107 HB3 PHE 107 7.556 -0.335 -13.308 826 HD1 PHE 107 HD1 PHE 107 9.558 -1.967 -15.998 827 HD2 PHE 107 HD2 PHE 107 9.367 1.040 -12.992 828 HE1 PHE 107 HE1 PHE 107 11.759 -1.126 -16.705 829 HE2 PHE 107 HE2 PHE 107 11.568 1.886 -13.694 830 HZ PHE 107 HZ PHE 107 12.767 0.804 -15.553 831 H ALA 108 H ALA 108 5.500 -2.531 -13.232 832 HA ALA 108 HA ALA 108 5.013 -1.617 -10.649 833 HB1 ALA 108 HB1 ALA 108 3.158 -3.658 -11.711 834 HB2 ALA 108 HB2 ALA 108 2.832 -2.045 -11.075 835 HB3 ALA 108 HB3 ALA 108 3.435 -2.238 -12.721 836 H MET 109 H MET 109 5.485 -4.928 -11.826 837 HA MET 109 HA MET 109 4.935 -6.273 -9.437 838 HB2 MET 109 HB2 MET 109 5.490 -7.098 -11.913 839 HB3 MET 109 HB3 MET 109 7.084 -7.324 -11.206 840 HG2 MET 109 HG2 MET 109 6.424 -9.056 -9.922 841 HG3 MET 109 HG3 MET 109 4.812 -8.393 -9.664 842 HE1 MET 109 HE1 MET 109 4.402 -11.451 -10.106 843 HE2 MET 109 HE2 MET 109 5.140 -12.079 -11.579 844 HE3 MET 109 HE3 MET 109 6.141 -11.295 -10.357 845 H GLY 110 H GLY 110 7.980 -4.948 -10.688 846 HA2 GLY 110 HA2 GLY 110 9.711 -5.899 -8.729 847 HA3 GLY 110 HA3 GLY 110 9.937 -4.402 -9.621 848 H LYS 111 H LYS 111 7.716 -2.970 -8.707 849 HA LYS 111 HA LYS 111 8.706 -1.866 -6.332 850 HB2 LYS 111 HB2 LYS 111 7.118 -0.847 -8.097 851 HB3 LYS 111 HB3 LYS 111 5.831 -1.616 -7.178 852 HG2 LYS 111 HG2 LYS 111 6.944 -0.383 -5.158 853 HG3 LYS 111 HG3 LYS 111 7.604 0.654 -6.424 854 HD2 LYS 111 HD2 LYS 111 5.678 1.786 -6.232 855 HD3 LYS 111 HD3 LYS 111 4.978 0.457 -7.159 856 HE2 LYS 111 HE2 LYS 111 5.137 0.518 -4.149 857 HE3 LYS 111 HE3 LYS 111 3.731 1.049 -5.072 858 HZ1 LYS 111 HZ1 LYS 111 3.145 -1.094 -4.708 859 HZ2 LYS 111 HZ2 LYS 111 4.740 -1.651 -4.609 860 HZ3 LYS 111 HZ3 LYS 111 4.044 -1.340 -6.119 861 H ILE 112 H ILE 112 6.098 -4.185 -6.901 862 HA ILE 112 HA ILE 112 5.015 -4.311 -4.351 863 HB ILE 112 HB ILE 112 5.368 -6.601 -6.289 864 HG12 ILE 112 HG12 ILE 112 2.988 -4.776 -5.908 865 HG13 ILE 112 HG13 ILE 112 4.189 -4.568 -7.179 866 HG21 ILE 112 HG21 ILE 112 3.124 -7.215 -5.013 867 HG22 ILE 112 HG22 ILE 112 4.706 -7.717 -4.420 868 HG23 ILE 112 HG23 ILE 112 3.911 -6.306 -3.723 869 HD11 ILE 112 HD11 ILE 112 2.486 -5.694 -8.249 870 HD12 ILE 112 HD12 ILE 112 3.591 -6.997 -7.811 871 HD13 ILE 112 HD13 ILE 112 2.139 -6.711 -6.851 872 H ASP 113 H ASP 113 7.707 -6.198 -5.708 873 HA ASP 113 HA ASP 113 8.235 -7.774 -3.467 874 HB2 ASP 113 HB2 ASP 113 9.884 -6.842 -5.789 875 HB3 ASP 113 HB3 ASP 113 10.662 -7.702 -4.463 876 H ALA 114 H ALA 114 9.710 -4.678 -4.426 877 HA ALA 114 HA ALA 114 11.405 -4.404 -2.215 878 HB1 ALA 114 HB1 ALA 114 11.920 -2.360 -3.052 879 HB2 ALA 114 HB2 ALA 114 11.110 -3.020 -4.473 880 HB3 ALA 114 HB3 ALA 114 10.238 -1.945 -3.381 881 H TYR 115 H TYR 115 8.052 -3.390 -2.704 882 HA TYR 115 HA TYR 115 7.658 -1.818 -0.476 883 HB2 TYR 115 HB2 TYR 115 5.941 -2.090 -2.171 884 HB3 TYR 115 HB3 TYR 115 5.746 -3.787 -1.748 885 HD1 TYR 115 HD1 TYR 115 5.891 -0.648 0.282 886 HD2 TYR 115 HD2 TYR 115 3.684 -4.129 -0.775 887 HE1 TYR 115 HE1 TYR 115 4.156 -0.037 1.914 888 HE2 TYR 115 HE2 TYR 115 1.942 -3.526 0.853 889 HH TYR 115 HH TYR 115 1.660 -2.195 2.840 890 H ILE 116 H ILE 116 7.550 -5.347 -0.720 891 HA ILE 116 HA ILE 116 6.746 -5.807 1.958 892 HB ILE 116 HB ILE 116 8.269 -7.656 0.118 893 HG12 ILE 116 HG12 ILE 116 5.291 -7.532 0.622 894 HG13 ILE 116 HG13 ILE 116 6.075 -6.780 -0.763 895 HG21 ILE 116 HG21 ILE 116 8.379 -8.991 1.892 896 HG22 ILE 116 HG22 ILE 116 7.367 -7.909 2.847 897 HG23 ILE 116 HG23 ILE 116 6.623 -9.127 1.812 898 HD11 ILE 116 HD11 ILE 116 6.023 -8.689 -1.870 899 HD12 ILE 116 HD12 ILE 116 6.891 -9.511 -0.574 900 HD13 ILE 116 HD13 ILE 116 5.131 -9.406 -0.529 901 H SER 117 H SER 117 9.884 -5.513 0.387 902 HA SER 117 HA SER 117 11.483 -6.408 2.515 903 HB2 SER 117 HB2 SER 117 12.005 -4.551 0.200 904 HB3 SER 117 HB3 SER 117 13.254 -4.913 1.391 905 HG SER 117 HG SER 117 11.836 -6.870 -0.097 906 H GLN 118 H GLN 118 10.244 -3.195 1.709 907 HA GLN 118 HA GLN 118 11.255 -2.218 4.295 908 HB2 GLN 118 HB2 GLN 118 10.834 0.073 3.243 909 HB3 GLN 118 HB3 GLN 118 12.185 -0.861 2.615 910 HG2 GLN 118 HG2 GLN 118 9.737 -1.403 1.172 911 HG3 GLN 118 HG3 GLN 118 10.155 0.310 1.152 912 HE21 GLN 118 HE21 GLN 118 12.237 -2.546 1.208 913 HE22 GLN 118 HE22 GLN 118 13.044 -2.205 -0.281 914 H LYS 119 H LYS 119 9.246 -3.507 4.998 915 HA LYS 119 HA LYS 119 6.917 -1.701 4.958 916 HB2 LYS 119 HB2 LYS 119 6.545 -3.856 3.760 917 HB3 LYS 119 HB3 LYS 119 6.870 -4.709 5.263 918 HG2 LYS 119 HG2 LYS 119 4.944 -3.641 6.301 919 HG3 LYS 119 HG3 LYS 119 4.627 -2.750 4.810 920 HD2 LYS 119 HD2 LYS 119 3.783 -4.570 3.742 921 HD3 LYS 119 HD3 LYS 119 4.848 -5.695 4.588 922 HE2 LYS 119 HE2 LYS 119 3.449 -5.856 6.412 923 HE3 LYS 119 HE3 LYS 119 2.707 -4.285 6.113 924 HZ1 LYS 119 HZ1 LYS 119 1.590 -5.251 4.177 925 HZ2 LYS 119 HZ2 LYS 119 1.163 -6.044 5.609 926 HZ3 LYS 119 HZ3 LYS 119 2.258 -6.763 4.539 927 H VAL 120 H VAL 120 9.310 -3.138 6.832 928 HA VAL 120 HA VAL 120 7.933 -3.526 9.276 929 HB VAL 120 HB VAL 120 10.185 -4.469 8.757 930 HG11 VAL 120 HG11 VAL 120 11.161 -2.465 7.745 931 HG12 VAL 120 HG12 VAL 120 11.132 -1.659 9.314 932 HG13 VAL 120 HG13 VAL 120 12.157 -3.073 9.067 933 HG21 VAL 120 HG21 VAL 120 9.154 -3.557 11.187 934 HG22 VAL 120 HG22 VAL 120 10.397 -4.784 10.948 935 HG23 VAL 120 HG23 VAL 120 10.857 -3.101 11.203 936 H GLY 121 H GLY 121 9.027 -0.711 7.634 937 HA2 GLY 121 HA2 GLY 121 7.700 1.147 9.117 938 HA3 GLY 121 HA3 GLY 121 9.226 0.962 9.969 939 H GLY 122 H GLY 122 8.115 1.307 6.591 940 HA2 GLY 122 HA2 GLY 122 9.705 3.696 6.267 941 HA3 GLY 122 HA3 GLY 122 10.335 2.303 5.400 942 H LEU 123 H LEU 123 8.195 1.065 4.394 943 HA LEU 123 HA LEU 123 7.017 3.111 2.639 944 HB2 LEU 123 HB2 LEU 123 8.431 0.837 2.008 945 HB3 LEU 123 HB3 LEU 123 6.756 0.333 1.792 946 HG LEU 123 HG LEU 123 6.409 2.143 0.190 947 HD11 LEU 123 HD11 LEU 123 9.097 2.897 -0.341 948 HD12 LEU 123 HD12 LEU 123 8.760 3.189 1.365 949 HD13 LEU 123 HD13 LEU 123 7.735 3.914 0.127 950 HD21 LEU 123 HD21 LEU 123 8.447 1.306 -1.379 951 HD22 LEU 123 HD22 LEU 123 6.966 0.390 -1.103 952 HD23 LEU 123 HD23 LEU 123 8.416 0.024 -0.168 953 H GLU 124 H GLU 124 6.309 0.575 4.884 954 HA GLU 124 HA GLU 124 3.712 -0.111 4.234 955 HB2 GLU 124 HB2 GLU 124 3.411 -0.688 6.585 956 HB3 GLU 124 HB3 GLU 124 4.998 -1.194 6.023 957 HG2 GLU 124 HG2 GLU 124 5.976 -0.036 7.628 958 HG3 GLU 124 HG3 GLU 124 5.190 1.445 7.083 Start of MODEL 9 1 H1 MET 1 H1 MET 1 0.822 -2.290 -1.177 2 HA MET 1 HA MET 1 1.073 -0.181 -3.210 3 HB2 MET 1 HB2 MET 1 -1.252 -0.575 -1.880 4 HB3 MET 1 HB3 MET 1 -0.439 0.517 -0.767 5 HG2 MET 1 HG2 MET 1 -0.877 1.060 -3.693 6 HG3 MET 1 HG3 MET 1 -1.892 1.668 -2.388 7 HE1 MET 1 HE1 MET 1 0.206 2.489 -4.822 8 HE2 MET 1 HE2 MET 1 -0.362 4.094 -4.360 9 HE3 MET 1 HE3 MET 1 1.362 3.723 -4.318 10 H SER 2 H SER 2 2.914 0.868 -2.904 11 HA SER 2 HA SER 2 4.552 0.598 -0.651 12 HB2 SER 2 HB2 SER 2 4.863 3.074 -2.250 13 HB3 SER 2 HB3 SER 2 6.060 1.855 -1.813 14 HG SER 2 HG SER 2 4.365 1.983 -4.010 15 H GLN 3 H GLN 3 5.432 2.754 0.429 16 HA GLN 3 HA GLN 3 3.133 3.879 1.828 17 HB2 GLN 3 HB2 GLN 3 5.621 2.999 2.680 18 HB3 GLN 3 HB3 GLN 3 5.757 4.751 2.748 19 HG2 GLN 3 HG2 GLN 3 3.786 2.992 4.173 20 HG3 GLN 3 HG3 GLN 3 5.023 4.036 4.872 21 HE21 GLN 3 HE21 GLN 3 4.774 6.391 4.294 22 HE22 GLN 3 HE22 GLN 3 3.171 7.035 4.334 23 H ASN 4 H ASN 4 2.716 6.069 2.003 24 HA ASN 4 HA ASN 4 4.047 7.743 -0.015 25 HB2 ASN 4 HB2 ASN 4 1.921 9.196 0.392 26 HB3 ASN 4 HB3 ASN 4 1.787 7.731 -0.576 27 HD21 ASN 4 HD21 ASN 4 -0.380 7.463 -0.150 28 HD22 ASN 4 HD22 ASN 4 -0.974 6.978 1.398 29 H ARG 5 H ARG 5 5.793 8.073 1.563 30 HA ARG 5 HA ARG 5 5.474 10.544 2.929 31 HB2 ARG 5 HB2 ARG 5 4.474 8.763 4.512 32 HB3 ARG 5 HB3 ARG 5 6.139 8.256 4.762 33 HG2 ARG 5 HG2 ARG 5 5.372 11.120 5.128 34 HG3 ARG 5 HG3 ARG 5 5.052 9.938 6.399 35 HD2 ARG 5 HD2 ARG 5 7.577 9.302 5.948 36 HD3 ARG 5 HD3 ARG 5 7.643 10.961 5.354 37 HE ARG 5 HE ARG 5 7.359 10.102 8.089 38 HH11 ARG 5 HH11 ARG 5 6.884 12.698 5.819 39 HH12 ARG 5 HH12 ARG 5 6.903 13.936 7.031 40 HH21 ARG 5 HH21 ARG 5 7.386 11.722 9.694 41 HH22 ARG 5 HH22 ARG 5 7.189 13.379 9.235 42 H GLN 6 H GLN 6 7.507 7.689 3.577 43 HA GLN 6 HA GLN 6 9.809 9.164 2.504 44 HB2 GLN 6 HB2 GLN 6 11.114 8.863 4.380 45 HB3 GLN 6 HB3 GLN 6 9.535 9.115 5.113 46 HG2 GLN 6 HG2 GLN 6 10.898 6.473 4.647 47 HG3 GLN 6 HG3 GLN 6 10.669 7.287 6.194 48 HE21 GLN 6 HE21 GLN 6 9.700 4.699 4.784 49 HE22 GLN 6 HE22 GLN 6 8.021 4.652 5.187 50 H LEU 7 H LEU 7 11.572 7.837 1.808 51 HA LEU 7 HA LEU 7 10.728 5.097 1.142 52 HB2 LEU 7 HB2 LEU 7 12.203 7.192 -0.340 53 HB3 LEU 7 HB3 LEU 7 12.727 5.527 -0.582 54 HG LEU 7 HG LEU 7 10.998 6.588 -2.202 55 HD11 LEU 7 HD11 LEU 7 11.109 3.873 -1.029 56 HD12 LEU 7 HD12 LEU 7 11.377 4.407 -2.688 57 HD13 LEU 7 HD13 LEU 7 9.734 4.250 -2.066 58 HD21 LEU 7 HD21 LEU 7 9.554 7.297 -0.217 59 HD22 LEU 7 HD22 LEU 7 9.074 5.602 -0.119 60 HD23 LEU 7 HD23 LEU 7 8.741 6.530 -1.582 61 H LEU 8 H LEU 8 11.762 3.521 2.156 62 HA LEU 8 HA LEU 8 13.872 3.875 3.934 63 HB2 LEU 8 HB2 LEU 8 12.358 1.676 2.851 64 HB3 LEU 8 HB3 LEU 8 14.055 1.235 3.027 65 HG LEU 8 HG LEU 8 12.876 0.551 4.994 66 HD11 LEU 8 HD11 LEU 8 15.095 2.204 5.007 67 HD12 LEU 8 HD12 LEU 8 14.538 1.181 6.331 68 HD13 LEU 8 HD13 LEU 8 14.052 2.875 6.261 69 HD21 LEU 8 HD21 LEU 8 11.004 1.654 5.497 70 HD22 LEU 8 HD22 LEU 8 11.530 3.104 4.641 71 HD23 LEU 8 HD23 LEU 8 12.043 2.829 6.306 72 H TYR 9 H TYR 9 14.180 1.932 0.968 73 HA TYR 9 HA TYR 9 16.446 3.376 0.013 74 HB2 TYR 9 HB2 TYR 9 17.913 1.195 0.253 75 HB3 TYR 9 HB3 TYR 9 17.844 2.382 1.550 76 HD1 TYR 9 HD1 TYR 9 16.746 -0.952 0.464 77 HD2 TYR 9 HD2 TYR 9 16.764 1.874 3.644 78 HE1 TYR 9 HE1 TYR 9 15.992 -2.704 2.017 79 HE2 TYR 9 HE2 TYR 9 16.011 0.130 5.206 80 HH TYR 9 HH TYR 9 14.815 -2.866 4.177 81 HA PRO 10 HA PRO 10 14.110 0.820 -3.066 82 HB2 PRO 10 HB2 PRO 10 13.808 2.842 -4.852 83 HB3 PRO 10 HB3 PRO 10 12.684 2.564 -3.516 84 HG2 PRO 10 HG2 PRO 10 14.937 4.525 -3.719 85 HG3 PRO 10 HG3 PRO 10 13.302 4.762 -3.076 86 HD2 PRO 10 HD2 PRO 10 15.450 4.353 -1.479 87 HD3 PRO 10 HD3 PRO 10 13.821 3.791 -1.051 88 H ARG 11 H ARG 11 15.437 -0.447 -4.197 89 HA ARG 11 HA ARG 11 16.982 0.447 -6.350 90 HB2 ARG 11 HB2 ARG 11 19.258 -0.186 -5.364 91 HB3 ARG 11 HB3 ARG 11 18.585 1.372 -4.904 92 HG2 ARG 11 HG2 ARG 11 18.057 0.644 -2.752 93 HG3 ARG 11 HG3 ARG 11 18.189 -1.058 -3.199 94 HD2 ARG 11 HD2 ARG 11 20.685 -0.180 -3.779 95 HD3 ARG 11 HD3 ARG 11 20.273 0.869 -2.423 96 HE ARG 11 HE ARG 11 19.617 -1.776 -1.758 97 HH11 ARG 11 HH11 ARG 11 22.407 0.227 -2.327 98 HH12 ARG 11 HH12 ARG 11 23.439 -0.685 -1.277 99 HH21 ARG 11 HH21 ARG 11 20.966 -2.986 -0.372 100 HH22 ARG 11 HH22 ARG 11 22.619 -2.513 -0.166 101 H GLU 12 H GLU 12 16.604 -2.002 -3.840 102 HA GLU 12 HA GLU 12 17.768 -4.183 -5.083 103 HB2 GLU 12 HB2 GLU 12 16.205 -3.753 -2.811 104 HB3 GLU 12 HB3 GLU 12 15.293 -4.921 -3.758 105 HG2 GLU 12 HG2 GLU 12 16.585 -6.496 -2.898 106 HG3 GLU 12 HG3 GLU 12 17.912 -5.838 -3.854 107 H GLU 13 H GLU 13 14.749 -2.595 -5.768 108 HA GLU 13 HA GLU 13 13.811 -4.737 -7.485 109 HB2 GLU 13 HB2 GLU 13 11.917 -3.164 -7.942 110 HB3 GLU 13 HB3 GLU 13 12.120 -3.582 -6.247 111 HG2 GLU 13 HG2 GLU 13 13.124 -1.470 -5.772 112 HG3 GLU 13 HG3 GLU 13 13.187 -1.059 -7.485 113 H MET 14 H MET 14 15.272 -1.556 -7.768 114 HA MET 14 HA MET 14 14.873 -0.978 -10.427 115 HB2 MET 14 HB2 MET 14 16.470 0.019 -8.379 116 HB3 MET 14 HB3 MET 14 17.617 -0.429 -9.636 117 HG2 MET 14 HG2 MET 14 17.079 1.813 -10.041 118 HG3 MET 14 HG3 MET 14 16.176 0.888 -11.237 119 HE1 MET 14 HE1 MET 14 13.220 2.440 -11.371 120 HE2 MET 14 HE2 MET 14 14.214 1.044 -11.787 121 HE3 MET 14 HE3 MET 14 12.862 0.861 -10.670 122 H VAL 15 H VAL 15 17.335 -3.089 -9.002 123 HA VAL 15 HA VAL 15 18.635 -3.686 -11.459 124 HB VAL 15 HB VAL 15 19.743 -5.492 -10.246 125 HG11 VAL 15 HG11 VAL 15 20.977 -3.673 -9.746 126 HG12 VAL 15 HG12 VAL 15 19.579 -2.743 -9.201 127 HG13 VAL 15 HG13 VAL 15 20.327 -3.925 -8.126 128 HG21 VAL 15 HG21 VAL 15 17.415 -5.235 -8.523 129 HG22 VAL 15 HG22 VAL 15 18.535 -6.583 -8.719 130 HG23 VAL 15 HG23 VAL 15 18.929 -5.262 -7.619 131 H SER 16 H SER 16 15.890 -5.020 -9.773 132 HA SER 16 HA SER 16 15.710 -7.537 -10.930 133 HB2 SER 16 HB2 SER 16 14.163 -6.100 -9.199 134 HB3 SER 16 HB3 SER 16 13.137 -6.129 -10.633 135 HG SER 16 HG SER 16 14.351 -8.466 -9.603 136 H LEU 17 H LEU 17 14.352 -4.463 -12.094 137 HA LEU 17 HA LEU 17 13.103 -5.431 -14.388 138 HB2 LEU 17 HB2 LEU 17 14.432 -2.752 -14.009 139 HB3 LEU 17 HB3 LEU 17 13.228 -3.148 -15.234 140 HG LEU 17 HG LEU 17 11.857 -2.130 -13.751 141 HD11 LEU 17 HD11 LEU 17 11.260 -4.580 -13.863 142 HD12 LEU 17 HD12 LEU 17 10.622 -3.690 -12.481 143 HD13 LEU 17 HD13 LEU 17 12.020 -4.747 -12.280 144 HD21 LEU 17 HD21 LEU 17 14.093 -2.536 -11.958 145 HD22 LEU 17 HD22 LEU 17 12.547 -2.759 -11.140 146 HD23 LEU 17 HD23 LEU 17 12.887 -1.249 -11.985 147 H VAL 18 H VAL 18 16.221 -3.694 -14.321 148 HA VAL 18 HA VAL 18 17.022 -4.220 -16.902 149 HB VAL 18 HB VAL 18 18.219 -2.680 -15.413 150 HG11 VAL 18 HG11 VAL 18 18.164 -3.999 -13.370 151 HG12 VAL 18 HG12 VAL 18 19.257 -5.184 -14.089 152 HG13 VAL 18 HG13 VAL 18 19.820 -3.543 -13.769 153 HG21 VAL 18 HG21 VAL 18 20.271 -4.690 -16.212 154 HG22 VAL 18 HG22 VAL 18 19.256 -3.957 -17.454 155 HG23 VAL 18 HG23 VAL 18 20.266 -2.940 -16.426 156 H ARG 19 H ARG 19 17.168 -6.305 -14.094 157 HA ARG 19 HA ARG 19 18.891 -8.262 -15.243 158 HB2 ARG 19 HB2 ARG 19 17.145 -8.107 -12.829 159 HB3 ARG 19 HB3 ARG 19 17.688 -9.691 -13.363 160 HG2 ARG 19 HG2 ARG 19 19.848 -7.754 -13.268 161 HG3 ARG 19 HG3 ARG 19 19.053 -7.969 -11.708 162 HD2 ARG 19 HD2 ARG 19 20.995 -9.506 -12.161 163 HD3 ARG 19 HD3 ARG 19 19.487 -10.297 -11.705 164 HE ARG 19 HE ARG 19 19.688 -10.110 -14.519 165 HH11 ARG 19 HH11 ARG 19 20.982 -11.845 -11.792 166 HH12 ARG 19 HH12 ARG 19 21.350 -13.269 -12.707 167 HH21 ARG 19 HH21 ARG 19 20.167 -11.980 -15.734 168 HH22 ARG 19 HH22 ARG 19 20.887 -13.345 -14.949 169 H SER 20 H SER 20 15.403 -7.818 -15.096 170 HA SER 20 HA SER 20 14.631 -10.350 -16.031 171 HB2 SER 20 HB2 SER 20 12.495 -9.488 -16.161 172 HB3 SER 20 HB3 SER 20 13.237 -8.306 -15.082 173 HG SER 20 HG SER 20 12.450 -8.051 -17.742 174 H LEU 21 H LEU 21 15.766 -7.494 -17.692 175 HA LEU 21 HA LEU 21 15.265 -8.763 -20.290 176 HB2 LEU 21 HB2 LEU 21 15.574 -6.622 -21.280 177 HB3 LEU 21 HB3 LEU 21 14.488 -6.431 -19.906 178 HG LEU 21 HG LEU 21 17.103 -5.928 -18.963 179 HD11 LEU 21 HD11 LEU 21 16.693 -3.928 -21.066 180 HD12 LEU 21 HD12 LEU 21 17.190 -5.517 -21.646 181 HD13 LEU 21 HD13 LEU 21 18.181 -4.661 -20.464 182 HD21 LEU 21 HD21 LEU 21 14.593 -4.379 -19.414 183 HD22 LEU 21 HD22 LEU 21 16.061 -3.531 -18.927 184 HD23 LEU 21 HD23 LEU 21 15.398 -4.805 -17.904 185 H ASP 22 H ASP 22 16.993 -8.540 -21.940 186 HA ASP 22 HA ASP 22 19.650 -7.961 -21.394 187 HB2 ASP 22 HB2 ASP 22 18.889 -10.277 -20.036 188 HB3 ASP 22 HB3 ASP 22 19.749 -10.863 -21.457 189 H ARG 23 H ARG 23 19.534 -7.216 -23.501 190 HA ARG 23 HA ARG 23 20.203 -9.105 -25.529 191 HB2 ARG 23 HB2 ARG 23 17.564 -9.030 -25.243 192 HB3 ARG 23 HB3 ARG 23 17.735 -7.588 -26.235 193 HG2 ARG 23 HG2 ARG 23 17.270 -9.437 -27.666 194 HG3 ARG 23 HG3 ARG 23 18.951 -8.960 -27.913 195 HD2 ARG 23 HD2 ARG 23 18.563 -11.431 -27.764 196 HD3 ARG 23 HD3 ARG 23 19.745 -10.793 -26.622 197 HE ARG 23 HE ARG 23 18.340 -11.352 -24.889 198 HH11 ARG 23 HH11 ARG 23 16.644 -11.628 -27.917 199 HH12 ARG 23 HH12 ARG 23 15.269 -12.424 -27.224 200 HH21 ARG 23 HH21 ARG 23 16.536 -12.399 -23.965 201 HH22 ARG 23 HH22 ARG 23 15.209 -12.861 -24.976 202 HA PRO 24 HA PRO 24 21.662 -4.686 -25.983 203 HB2 PRO 24 HB2 PRO 24 24.309 -5.286 -25.975 204 HB3 PRO 24 HB3 PRO 24 23.391 -4.971 -24.498 205 HG2 PRO 24 HG2 PRO 24 24.179 -7.590 -25.717 206 HG3 PRO 24 HG3 PRO 24 24.221 -7.090 -24.016 207 HD2 PRO 24 HD2 PRO 24 22.241 -8.631 -25.033 208 HD3 PRO 24 HD3 PRO 24 21.968 -7.469 -23.718 209 H GLN 25 H GLN 25 20.615 -5.223 -28.109 210 HA GLN 25 HA GLN 25 22.088 -6.520 -30.156 211 HB2 GLN 25 HB2 GLN 25 19.747 -4.620 -30.222 212 HB3 GLN 25 HB3 GLN 25 20.435 -5.329 -31.676 213 HG2 GLN 25 HG2 GLN 25 19.190 -6.812 -29.374 214 HG3 GLN 25 HG3 GLN 25 18.499 -6.579 -30.979 215 HE21 GLN 25 HE21 GLN 25 20.582 -7.099 -32.618 216 HE22 GLN 25 HE22 GLN 25 21.093 -8.739 -32.442 217 H GLU 26 H GLU 26 21.502 -3.077 -29.458 218 HA GLU 26 HA GLU 26 23.304 -2.206 -31.516 219 HB2 GLU 26 HB2 GLU 26 21.412 -0.985 -29.682 220 HB3 GLU 26 HB3 GLU 26 22.906 -0.064 -29.777 221 HG2 GLU 26 HG2 GLU 26 21.940 0.907 -31.538 222 HG3 GLU 26 HG3 GLU 26 22.430 -0.551 -32.399 223 H ASN 27 H ASN 27 23.383 -2.222 -27.959 224 HA ASN 27 HA ASN 27 25.094 -1.982 -26.472 225 HB2 ASN 27 HB2 ASN 27 25.616 -4.183 -27.654 226 HB3 ASN 27 HB3 ASN 27 26.816 -3.286 -28.579 227 HD21 ASN 27 HD21 ASN 27 25.796 -3.835 -25.229 228 HD22 ASN 27 HD22 ASN 27 27.393 -3.887 -24.571 229 H GLY 28 H GLY 28 24.772 0.390 -27.367 230 HA2 GLY 28 HA2 GLY 28 27.418 1.505 -27.512 231 HA3 GLY 28 HA3 GLY 28 26.514 1.703 -29.007 232 H LEU 29 H LEU 29 23.942 2.036 -27.797 233 HA LEU 29 HA LEU 29 23.957 4.109 -25.872 234 HB2 LEU 29 HB2 LEU 29 24.918 5.404 -27.687 235 HB3 LEU 29 HB3 LEU 29 23.588 4.939 -28.747 236 HG LEU 29 HG LEU 29 22.817 6.332 -26.264 237 HD11 LEU 29 HD11 LEU 29 23.694 8.382 -26.698 238 HD12 LEU 29 HD12 LEU 29 23.806 8.093 -28.434 239 HD13 LEU 29 HD13 LEU 29 25.000 7.388 -27.344 240 HD21 LEU 29 HD21 LEU 29 21.971 7.275 -28.915 241 HD22 LEU 29 HD22 LEU 29 21.015 6.902 -27.481 242 HD23 LEU 29 HD23 LEU 29 21.553 5.602 -28.545 243 H PHE 30 H PHE 30 22.319 2.556 -28.569 244 HA PHE 30 HA PHE 30 19.692 3.344 -27.919 245 HB2 PHE 30 HB2 PHE 30 20.963 1.375 -29.694 246 HB3 PHE 30 HB3 PHE 30 19.361 0.911 -29.132 247 HD1 PHE 30 HD1 PHE 30 21.158 3.828 -30.597 248 HD2 PHE 30 HD2 PHE 30 17.521 1.636 -30.305 249 HE1 PHE 30 HE1 PHE 30 20.145 5.290 -32.297 250 HE2 PHE 30 HE2 PHE 30 16.502 3.094 -32.005 251 HZ PHE 30 HZ PHE 30 17.814 4.924 -33.003 252 H SER 31 H SER 31 21.830 1.229 -26.366 253 HA SER 31 HA SER 31 19.755 0.422 -24.506 254 HB2 SER 31 HB2 SER 31 20.509 -1.339 -26.551 255 HB3 SER 31 HB3 SER 31 21.362 -1.911 -25.117 256 HG SER 31 HG SER 31 18.813 -2.243 -25.729 257 H GLN 32 H GLN 32 22.150 2.112 -24.484 258 HA GLN 32 HA GLN 32 23.301 1.100 -22.048 259 HB2 GLN 32 HB2 GLN 32 24.614 0.525 -24.481 260 HB3 GLN 32 HB3 GLN 32 25.541 1.801 -23.704 261 HG2 GLN 32 HG2 GLN 32 26.503 -0.174 -22.936 262 HG3 GLN 32 HG3 GLN 32 25.467 0.355 -21.612 263 HE21 GLN 32 HE21 GLN 32 24.855 -1.398 -24.634 264 HE22 GLN 32 HE22 GLN 32 24.087 -2.756 -23.891 265 H ASP 33 H ASP 33 25.263 2.691 -21.473 266 HA ASP 33 HA ASP 33 24.186 5.400 -21.872 267 HB2 ASP 33 HB2 ASP 33 25.699 4.131 -19.601 268 HB3 ASP 33 HB3 ASP 33 25.608 5.882 -19.774 269 H VAL 34 H VAL 34 25.280 6.616 -23.252 270 HA VAL 34 HA VAL 34 27.739 6.000 -24.388 271 HB VAL 34 HB VAL 34 26.254 7.571 -25.458 272 HG11 VAL 34 HG11 VAL 34 25.153 9.069 -24.244 273 HG12 VAL 34 HG12 VAL 34 26.211 8.786 -22.860 274 HG13 VAL 34 HG13 VAL 34 26.653 9.983 -24.078 275 HG21 VAL 34 HG21 VAL 34 28.446 9.441 -24.883 276 HG22 VAL 34 HG22 VAL 34 28.952 7.818 -25.352 277 HG23 VAL 34 HG23 VAL 34 27.908 8.759 -26.418 278 H LEU 35 H LEU 35 27.003 7.572 -21.391 279 HA LEU 35 HA LEU 35 29.459 8.915 -20.993 280 HB2 LEU 35 HB2 LEU 35 27.084 8.838 -19.690 281 HB3 LEU 35 HB3 LEU 35 28.087 7.871 -18.610 282 HG LEU 35 HG LEU 35 27.971 10.228 -17.930 283 HD11 LEU 35 HD11 LEU 35 30.764 9.776 -18.886 284 HD12 LEU 35 HD12 LEU 35 30.046 8.679 -17.706 285 HD13 LEU 35 HD13 LEU 35 30.192 10.398 -17.337 286 HD21 LEU 35 HD21 LEU 35 27.750 11.115 -20.265 287 HD22 LEU 35 HD22 LEU 35 29.482 10.842 -20.462 288 HD23 LEU 35 HD23 LEU 35 28.902 11.981 -19.246 289 H LEU 36 H LEU 36 28.667 5.622 -20.989 290 HA LEU 36 HA LEU 36 30.987 4.927 -19.331 291 HB2 LEU 36 HB2 LEU 36 28.564 3.409 -20.229 292 HB3 LEU 36 HB3 LEU 36 30.000 2.565 -19.650 293 HG LEU 36 HG LEU 36 28.391 2.734 -17.868 294 HD11 LEU 36 HD11 LEU 36 30.977 3.304 -17.610 295 HD12 LEU 36 HD12 LEU 36 29.861 3.325 -16.245 296 HD13 LEU 36 HD13 LEU 36 30.308 4.834 -17.041 297 HD21 LEU 36 HD21 LEU 36 27.606 5.069 -19.007 298 HD22 LEU 36 HD22 LEU 36 28.512 5.655 -17.611 299 HD23 LEU 36 HD23 LEU 36 27.158 4.546 -17.383 300 H GLN 37 H GLN 37 31.123 5.971 -22.092 301 HA GLN 37 HA GLN 37 32.202 3.641 -23.514 302 HB2 GLN 37 HB2 GLN 37 31.666 6.412 -24.592 303 HB3 GLN 37 HB3 GLN 37 32.092 4.984 -25.526 304 HG2 GLN 37 HG2 GLN 37 29.600 5.141 -23.862 305 HG3 GLN 37 HG3 GLN 37 29.663 5.673 -25.542 306 HE21 GLN 37 HE21 GLN 37 27.952 3.685 -24.746 307 HE22 GLN 37 HE22 GLN 37 28.461 2.179 -25.420 308 H TYR 38 H TYR 38 33.073 7.092 -23.499 309 HA TYR 38 HA TYR 38 35.686 6.586 -22.430 310 HB2 TYR 38 HB2 TYR 38 35.277 6.888 -25.369 311 HB3 TYR 38 HB3 TYR 38 36.679 7.669 -24.646 312 HD1 TYR 38 HD1 TYR 38 37.646 5.835 -22.676 313 HD2 TYR 38 HD2 TYR 38 35.948 4.982 -26.482 314 HE1 TYR 38 HE1 TYR 38 38.872 3.704 -22.738 315 HE2 TYR 38 HE2 TYR 38 37.168 2.847 -26.554 316 HH TYR 38 HH TYR 38 39.681 2.111 -24.968 317 HA PRO 39 HA PRO 39 35.389 10.830 -21.356 318 HB2 PRO 39 HB2 PRO 39 38.003 11.560 -21.291 319 HB3 PRO 39 HB3 PRO 39 37.266 10.519 -20.068 320 HG2 PRO 39 HG2 PRO 39 38.929 9.768 -22.441 321 HG3 PRO 39 HG3 PRO 39 38.997 9.140 -20.784 322 HD2 PRO 39 HD2 PRO 39 37.761 7.814 -22.795 323 HD3 PRO 39 HD3 PRO 39 37.204 7.729 -21.111 324 H GLU 40 H GLU 40 34.418 11.122 -23.617 325 HA GLU 40 HA GLU 40 35.631 13.389 -24.822 326 HB2 GLU 40 HB2 GLU 40 35.924 12.401 -27.095 327 HB3 GLU 40 HB3 GLU 40 37.073 11.805 -25.906 328 HG2 GLU 40 HG2 GLU 40 35.157 9.942 -25.662 329 HG3 GLU 40 HG3 GLU 40 34.936 10.390 -27.353 330 H LEU 41 H LEU 41 33.301 10.761 -25.103 331 HA LEU 41 HA LEU 41 31.468 12.503 -26.577 332 HB2 LEU 41 HB2 LEU 41 30.081 10.400 -26.718 333 HB3 LEU 41 HB3 LEU 41 31.625 10.380 -27.569 334 HG LEU 41 HG LEU 41 30.870 8.295 -26.227 335 HD11 LEU 41 HD11 LEU 41 33.325 9.307 -27.022 336 HD12 LEU 41 HD12 LEU 41 32.975 7.649 -26.534 337 HD13 LEU 41 HD13 LEU 41 33.578 8.807 -25.349 338 HD21 LEU 41 HD21 LEU 41 32.039 9.970 -24.008 339 HD22 LEU 41 HD22 LEU 41 31.550 8.279 -23.905 340 HD23 LEU 41 HD23 LEU 41 30.337 9.532 -24.165 341 H ALA 42 H ALA 42 32.221 12.300 -23.522 342 HA ALA 42 HA ALA 42 29.741 11.731 -22.229 343 HB1 ALA 42 HB1 ALA 42 30.983 13.101 -20.343 344 HB2 ALA 42 HB2 ALA 42 31.466 11.456 -20.759 345 HB3 ALA 42 HB3 ALA 42 32.374 12.828 -21.394 346 H GLU 43 H GLU 43 31.097 14.511 -23.766 347 HA GLU 43 HA GLU 43 29.547 16.493 -22.445 348 HB2 GLU 43 HB2 GLU 43 30.892 16.519 -25.151 349 HB3 GLU 43 HB3 GLU 43 30.177 17.928 -24.382 350 HG2 GLU 43 HG2 GLU 43 31.772 17.344 -22.421 351 HG3 GLU 43 HG3 GLU 43 32.640 16.418 -23.644 352 H SER 44 H SER 44 29.097 14.590 -25.384 353 HA SER 44 HA SER 44 26.746 15.922 -26.248 354 HB2 SER 44 HB2 SER 44 26.859 14.527 -28.028 355 HB3 SER 44 HB3 SER 44 28.428 14.073 -27.363 356 HG SER 44 HG SER 44 27.354 12.369 -26.250 357 H TYR 45 H TYR 45 27.368 13.349 -23.991 358 HA TYR 45 HA TYR 45 24.932 12.070 -23.840 359 HB2 TYR 45 HB2 TYR 45 26.788 11.264 -22.553 360 HB3 TYR 45 HB3 TYR 45 26.884 12.768 -21.643 361 HD1 TYR 45 HD1 TYR 45 24.367 10.101 -22.393 362 HD2 TYR 45 HD2 TYR 45 26.034 12.742 -19.503 363 HE1 TYR 45 HE1 TYR 45 22.885 9.149 -20.677 364 HE2 TYR 45 HE2 TYR 45 24.557 11.796 -17.778 365 HH TYR 45 HH TYR 45 22.217 9.240 -18.564 366 H THR 46 H THR 46 25.820 15.242 -22.697 367 HA THR 46 HA THR 46 23.834 15.791 -20.862 368 HB THR 46 HB THR 46 24.027 18.171 -21.554 369 HG1 THR 46 HG1 THR 46 25.097 18.715 -23.362 370 HG21 THR 46 HG21 THR 46 26.597 18.256 -21.287 371 HG22 THR 46 HG22 THR 46 26.484 16.505 -21.118 372 HG23 THR 46 HG23 THR 46 25.639 17.557 -19.983 373 H LYS 47 H LYS 47 23.613 15.556 -24.337 374 HA LYS 47 HA LYS 47 21.049 16.797 -24.567 375 HB2 LYS 47 HB2 LYS 47 22.990 15.546 -26.337 376 HB3 LYS 47 HB3 LYS 47 21.340 15.110 -26.761 377 HG2 LYS 47 HG2 LYS 47 22.335 17.931 -26.419 378 HG3 LYS 47 HG3 LYS 47 22.167 17.095 -27.964 379 HD2 LYS 47 HD2 LYS 47 19.891 17.222 -27.940 380 HD3 LYS 47 HD3 LYS 47 19.798 17.158 -26.178 381 HE2 LYS 47 HE2 LYS 47 19.144 19.339 -26.728 382 HE3 LYS 47 HE3 LYS 47 20.822 19.495 -26.213 383 HZ1 LYS 47 HZ1 LYS 47 20.588 19.005 -29.019 384 HZ2 LYS 47 HZ2 LYS 47 21.415 20.237 -28.206 385 HZ3 LYS 47 HZ3 LYS 47 19.769 20.410 -28.554 386 H VAL 48 H VAL 48 22.199 13.505 -24.132 387 HA VAL 48 HA VAL 48 19.401 12.590 -23.991 388 HB VAL 48 HB VAL 48 20.846 11.512 -25.741 389 HG11 VAL 48 HG11 VAL 48 22.156 9.868 -23.655 390 HG12 VAL 48 HG12 VAL 48 22.726 10.334 -25.259 391 HG13 VAL 48 HG13 VAL 48 22.800 11.487 -23.926 392 HG21 VAL 48 HG21 VAL 48 19.223 10.004 -25.489 393 HG22 VAL 48 HG22 VAL 48 20.329 9.116 -24.440 394 HG23 VAL 48 HG23 VAL 48 19.170 10.248 -23.744 395 H CYS 49 H CYS 49 20.731 13.894 -21.820 396 HA CYS 49 HA CYS 49 21.941 12.343 -19.923 397 HB2 CYS 49 HB2 CYS 49 20.372 14.787 -19.930 398 HB3 CYS 49 HB3 CYS 49 20.131 13.870 -18.448 399 HG CYS 49 HG CYS 49 22.167 15.957 -18.324 400 HA PRO 50 HA PRO 50 17.688 10.845 -18.205 401 HB2 PRO 50 HB2 PRO 50 15.474 11.403 -19.672 402 HB3 PRO 50 HB3 PRO 50 16.099 12.489 -18.425 403 HG2 PRO 50 HG2 PRO 50 16.451 12.614 -21.395 404 HG3 PRO 50 HG3 PRO 50 16.105 13.926 -20.253 405 HD2 PRO 50 HD2 PRO 50 18.588 13.461 -21.228 406 HD3 PRO 50 HD3 PRO 50 18.307 14.107 -19.599 407 H ASN 51 H ASN 51 18.532 8.838 -18.809 408 HA ASN 51 HA ASN 51 18.621 7.650 -21.271 409 HB2 ASN 51 HB2 ASN 51 18.276 6.579 -18.503 410 HB3 ASN 51 HB3 ASN 51 18.102 5.471 -19.861 411 HD21 ASN 51 HD21 ASN 51 19.945 6.134 -21.605 412 HD22 ASN 51 HD22 ASN 51 21.534 6.062 -20.931 413 H ARG 52 H ARG 52 17.182 7.011 -22.734 414 HA ARG 52 HA ARG 52 14.393 6.610 -21.873 415 HB2 ARG 52 HB2 ARG 52 14.845 8.720 -23.214 416 HB3 ARG 52 HB3 ARG 52 15.225 7.669 -24.572 417 HG2 ARG 52 HG2 ARG 52 13.019 6.871 -24.710 418 HG3 ARG 52 HG3 ARG 52 12.602 7.519 -23.122 419 HD2 ARG 52 HD2 ARG 52 11.758 8.791 -25.166 420 HD3 ARG 52 HD3 ARG 52 12.565 9.725 -23.907 421 HE ARG 52 HE ARG 52 14.154 10.291 -25.437 422 HH11 ARG 52 HH11 ARG 52 12.560 7.393 -26.522 423 HH12 ARG 52 HH12 ARG 52 13.401 7.341 -28.035 424 HH21 ARG 52 HH21 ARG 52 15.269 10.233 -27.426 425 HH22 ARG 52 HH22 ARG 52 14.943 8.956 -28.548 426 H CYS 53 H CYS 53 16.581 4.668 -22.204 427 HA CYS 53 HA CYS 53 15.733 3.153 -24.556 428 HB2 CYS 53 HB2 CYS 53 18.003 2.699 -22.609 429 HB3 CYS 53 HB3 CYS 53 17.655 1.673 -23.996 430 HG CYS 53 HG CYS 53 18.101 4.955 -24.637 431 H ASP 54 H ASP 54 16.723 2.013 -21.345 432 HA ASP 54 HA ASP 54 14.271 1.116 -20.415 433 HB2 ASP 54 HB2 ASP 54 15.396 -0.566 -22.514 434 HB3 ASP 54 HB3 ASP 54 15.121 -1.455 -21.019 435 H LEU 55 H LEU 55 17.228 -0.827 -20.754 436 HA LEU 55 HA LEU 55 17.395 -1.328 -17.967 437 HB2 LEU 55 HB2 LEU 55 19.629 -2.276 -18.529 438 HB3 LEU 55 HB3 LEU 55 18.291 -2.937 -19.466 439 HG LEU 55 HG LEU 55 19.675 -0.697 -20.756 440 HD11 LEU 55 HD11 LEU 55 21.181 -3.246 -20.862 441 HD12 LEU 55 HD12 LEU 55 21.414 -2.218 -19.448 442 HD13 LEU 55 HD13 LEU 55 21.742 -1.586 -21.061 443 HD21 LEU 55 HD21 LEU 55 17.906 -2.437 -21.609 444 HD22 LEU 55 HD22 LEU 55 19.336 -3.430 -21.893 445 HD23 LEU 55 HD23 LEU 55 19.186 -1.855 -22.674 446 H ALA 56 H ALA 56 18.939 0.984 -20.119 447 HA ALA 56 HA ALA 56 20.875 1.929 -18.279 448 HB1 ALA 56 HB1 ALA 56 21.263 2.379 -20.561 449 HB2 ALA 56 HB2 ALA 56 19.676 3.123 -20.764 450 HB3 ALA 56 HB3 ALA 56 20.919 3.941 -19.817 451 H THR 57 H THR 57 17.514 2.694 -18.839 452 HA THR 57 HA THR 57 17.490 5.136 -17.365 453 HB THR 57 HB THR 57 15.167 3.307 -17.999 454 HG1 THR 57 HG1 THR 57 16.102 3.964 -19.921 455 HG21 THR 57 HG21 THR 57 15.135 6.271 -17.451 456 HG22 THR 57 HG22 THR 57 14.836 5.057 -16.208 457 HG23 THR 57 HG23 THR 57 13.756 5.182 -17.597 458 H ALA 58 H ALA 58 16.192 1.898 -16.606 459 HA ALA 58 HA ALA 58 15.538 2.456 -13.937 460 HB1 ALA 58 HB1 ALA 58 14.512 0.552 -14.696 461 HB2 ALA 58 HB2 ALA 58 15.961 -0.037 -15.511 462 HB3 ALA 58 HB3 ALA 58 15.832 -0.145 -13.756 463 H ALA 59 H ALA 59 18.447 0.973 -15.341 464 HA ALA 59 HA ALA 59 19.783 0.487 -12.916 465 HB1 ALA 59 HB1 ALA 59 21.711 0.066 -14.208 466 HB2 ALA 59 HB2 ALA 59 20.346 -0.436 -15.206 467 HB3 ALA 59 HB3 ALA 59 21.151 1.101 -15.522 468 H ASP 60 H ASP 60 19.387 3.370 -14.814 469 HA ASP 60 HA ASP 60 21.556 4.833 -13.683 470 HB2 ASP 60 HB2 ASP 60 20.740 5.587 -15.784 471 HB3 ASP 60 HB3 ASP 60 19.081 5.658 -15.197 472 H ARG 61 H ARG 61 18.074 4.690 -13.016 473 HA ARG 61 HA ARG 61 17.909 6.666 -11.080 474 HB2 ARG 61 HB2 ARG 61 16.330 4.305 -11.837 475 HB3 ARG 61 HB3 ARG 61 16.132 4.800 -10.161 476 HG2 ARG 61 HG2 ARG 61 14.444 5.839 -11.524 477 HG3 ARG 61 HG3 ARG 61 15.558 7.068 -10.923 478 HD2 ARG 61 HD2 ARG 61 16.187 5.853 -13.548 479 HD3 ARG 61 HD3 ARG 61 14.785 6.921 -13.480 480 HE ARG 61 HE ARG 61 17.165 8.011 -12.276 481 HH11 ARG 61 HH11 ARG 61 15.324 7.646 -15.209 482 HH12 ARG 61 HH12 ARG 61 16.013 9.042 -15.969 483 HH21 ARG 61 HH21 ARG 61 18.080 9.850 -13.267 484 HH22 ARG 61 HH22 ARG 61 17.581 10.294 -14.865 485 H ALA 62 H ALA 62 18.579 3.200 -10.634 486 HA ALA 62 HA ALA 62 18.952 3.393 -7.822 487 HB1 ALA 62 HB1 ALA 62 18.487 1.238 -8.333 488 HB2 ALA 62 HB2 ALA 62 19.318 1.310 -9.887 489 HB3 ALA 62 HB3 ALA 62 20.246 1.126 -8.399 490 H ALA 63 H ALA 63 21.213 3.196 -10.559 491 HA ALA 63 HA ALA 63 23.593 3.199 -9.109 492 HB1 ALA 63 HB1 ALA 63 24.618 4.116 -11.190 493 HB2 ALA 63 HB2 ALA 63 23.616 2.687 -11.445 494 HB3 ALA 63 HB3 ALA 63 22.993 4.286 -11.854 495 H LYS 64 H LYS 64 21.424 5.806 -9.922 496 HA LYS 64 HA LYS 64 23.136 7.986 -9.497 497 HB2 LYS 64 HB2 LYS 64 20.163 7.617 -9.332 498 HB3 LYS 64 HB3 LYS 64 20.892 9.145 -8.856 499 HG2 LYS 64 HG2 LYS 64 21.779 8.119 -11.456 500 HG3 LYS 64 HG3 LYS 64 20.068 8.543 -11.362 501 HD2 LYS 64 HD2 LYS 64 20.911 10.582 -11.930 502 HD3 LYS 64 HD3 LYS 64 21.063 10.701 -10.175 503 HE2 LYS 64 HE2 LYS 64 23.305 10.690 -10.253 504 HE3 LYS 64 HE3 LYS 64 23.350 9.433 -11.488 505 HZ1 LYS 64 HZ1 LYS 64 22.440 11.500 -12.900 506 HZ2 LYS 64 HZ2 LYS 64 24.082 11.114 -12.760 507 HZ3 LYS 64 HZ3 LYS 64 23.409 12.317 -11.779 508 H GLY 65 H GLY 65 21.796 5.733 -7.302 509 HA2 GLY 65 HA2 GLY 65 22.945 5.761 -5.094 510 HA3 GLY 65 HA3 GLY 65 22.567 7.476 -5.042 511 H ALA 66 H ALA 66 20.130 5.541 -6.423 512 HA ALA 66 HA ALA 66 18.018 5.009 -5.759 513 HB1 ALA 66 HB1 ALA 66 19.544 4.438 -3.233 514 HB2 ALA 66 HB2 ALA 66 17.819 4.112 -3.398 515 HB3 ALA 66 HB3 ALA 66 18.975 3.297 -4.451 516 H TYR 67 H TYR 67 17.911 7.504 -6.060 517 HA TYR 67 HA TYR 67 17.764 9.302 -3.978 518 HB2 TYR 67 HB2 TYR 67 16.825 9.177 -6.713 519 HB3 TYR 67 HB3 TYR 67 15.671 10.027 -5.693 520 HD1 TYR 67 HD1 TYR 67 19.105 10.043 -7.005 521 HD2 TYR 67 HD2 TYR 67 16.204 12.167 -4.730 522 HE1 TYR 67 HE1 TYR 67 20.501 12.065 -7.125 523 HE2 TYR 67 HE2 TYR 67 17.591 14.195 -4.845 524 HH TYR 67 HH TYR 67 19.626 14.925 -6.799 525 H GLY 68 H GLY 68 16.776 8.832 -2.099 526 HA2 GLY 68 HA2 GLY 68 14.289 7.394 -1.982 527 HA3 GLY 68 HA3 GLY 68 15.150 8.105 -0.624 528 H TYR 69 H TYR 69 13.096 8.803 0.184 529 HA TYR 69 HA TYR 69 11.462 10.340 0.558 530 HB2 TYR 69 HB2 TYR 69 13.707 11.798 -0.539 531 HB3 TYR 69 HB3 TYR 69 12.187 12.565 -0.986 532 HD1 TYR 69 HD1 TYR 69 13.601 10.939 2.077 533 HD2 TYR 69 HD2 TYR 69 11.542 14.269 0.413 534 HE1 TYR 69 HE1 TYR 69 13.470 11.965 4.309 535 HE2 TYR 69 HE2 TYR 69 11.406 15.305 2.640 536 HH TYR 69 HH TYR 69 12.091 13.612 5.499 537 H ASP 70 H ASP 70 9.882 9.146 -0.564 538 HA ASP 70 HA ASP 70 8.889 10.504 -2.941 539 HB2 ASP 70 HB2 ASP 70 10.332 8.161 -3.237 540 HB3 ASP 70 HB3 ASP 70 8.660 7.607 -3.237 541 H VAL 71 H VAL 71 6.710 10.615 -3.004 542 HA VAL 71 HA VAL 71 5.259 9.518 -0.736 543 HB VAL 71 HB VAL 71 4.951 11.891 -1.450 544 HG11 VAL 71 HG11 VAL 71 4.137 12.509 -3.473 545 HG12 VAL 71 HG12 VAL 71 4.883 10.988 -3.967 546 HG13 VAL 71 HG13 VAL 71 3.151 11.058 -3.643 547 HG21 VAL 71 HG21 VAL 71 2.602 11.934 -1.045 548 HG22 VAL 71 HG22 VAL 71 2.408 10.289 -1.650 549 HG23 VAL 71 HG23 VAL 71 3.265 10.577 -0.136 550 H GLN 72 H GLN 72 5.951 8.580 -3.872 551 HA GLN 72 HA GLN 72 4.335 6.292 -3.784 552 HB2 GLN 72 HB2 GLN 72 2.714 8.325 -4.327 553 HB3 GLN 72 HB3 GLN 72 3.320 8.062 -5.957 554 HG2 GLN 72 HG2 GLN 72 2.295 5.747 -4.388 555 HG3 GLN 72 HG3 GLN 72 1.157 6.867 -5.134 556 HE21 GLN 72 HE21 GLN 72 2.342 7.492 -7.471 557 HE22 GLN 72 HE22 GLN 72 2.512 6.087 -8.461 558 H LEU 73 H LEU 73 7.023 6.986 -4.368 559 HA LEU 73 HA LEU 73 8.705 6.613 -5.860 560 HB2 LEU 73 HB2 LEU 73 6.685 4.642 -6.919 561 HB3 LEU 73 HB3 LEU 73 8.403 4.648 -7.313 562 HG LEU 73 HG LEU 73 8.178 2.958 -5.722 563 HD11 LEU 73 HD11 LEU 73 9.536 3.642 -3.959 564 HD12 LEU 73 HD12 LEU 73 8.838 5.261 -3.922 565 HD13 LEU 73 HD13 LEU 73 9.909 4.793 -5.243 566 HD21 LEU 73 HD21 LEU 73 6.772 4.601 -3.692 567 HD22 LEU 73 HD22 LEU 73 6.679 2.869 -4.014 568 HD23 LEU 73 HD23 LEU 73 5.829 4.007 -5.060 569 H THR 74 H THR 74 7.221 8.836 -6.525 570 HA THR 74 HA THR 74 6.224 8.910 -9.143 571 HB THR 74 HB THR 74 5.946 10.705 -7.387 572 HG1 THR 74 HG1 THR 74 6.851 11.493 -9.975 573 HG21 THR 74 HG21 THR 74 7.623 12.113 -6.790 574 HG22 THR 74 HG22 THR 74 8.396 12.040 -8.373 575 HG23 THR 74 HG23 THR 74 8.627 10.728 -7.217 576 H THR 75 H THR 75 9.453 8.804 -7.945 577 HA THR 75 HA THR 75 10.829 10.009 -10.077 578 HB THR 75 HB THR 75 12.788 8.670 -9.331 579 HG1 THR 75 HG1 THR 75 10.880 7.534 -7.540 580 HG21 THR 75 HG21 THR 75 12.826 9.566 -6.983 581 HG22 THR 75 HG22 THR 75 11.148 10.056 -7.213 582 HG23 THR 75 HG23 THR 75 12.417 10.753 -8.221 583 H LEU 76 H LEU 76 10.088 6.576 -9.476 584 HA LEU 76 HA LEU 76 11.083 5.780 -12.054 585 HB2 LEU 76 HB2 LEU 76 9.342 4.097 -10.290 586 HB3 LEU 76 HB3 LEU 76 10.594 3.584 -11.419 587 HG LEU 76 HG LEU 76 10.982 4.854 -8.713 588 HD11 LEU 76 HD11 LEU 76 11.399 2.116 -9.850 589 HD12 LEU 76 HD12 LEU 76 10.562 2.594 -8.374 590 HD13 LEU 76 HD13 LEU 76 12.322 2.672 -8.454 591 HD21 LEU 76 HD21 LEU 76 12.897 4.374 -10.967 592 HD22 LEU 76 HD22 LEU 76 13.443 4.344 -9.290 593 HD23 LEU 76 HD23 LEU 76 12.705 5.804 -9.950 594 H LYS 77 H LYS 77 7.965 6.487 -10.624 595 HA LYS 77 HA LYS 77 6.363 5.417 -12.701 596 HB2 LYS 77 HB2 LYS 77 5.952 6.774 -10.236 597 HB3 LYS 77 HB3 LYS 77 5.062 7.646 -11.477 598 HG2 LYS 77 HG2 LYS 77 3.441 6.157 -11.234 599 HG3 LYS 77 HG3 LYS 77 4.515 4.964 -11.969 600 HD2 LYS 77 HD2 LYS 77 4.804 5.533 -9.061 601 HD3 LYS 77 HD3 LYS 77 3.428 4.565 -9.595 602 HE2 LYS 77 HE2 LYS 77 5.078 2.981 -9.143 603 HE3 LYS 77 HE3 LYS 77 5.165 3.186 -10.892 604 HZ1 LYS 77 HZ1 LYS 77 7.185 4.155 -10.770 605 HZ2 LYS 77 HZ2 LYS 77 7.291 3.274 -9.330 606 HZ3 LYS 77 HZ3 LYS 77 6.876 4.913 -9.290 607 H GLU 78 H GLU 78 7.805 8.587 -12.147 608 HA GLU 78 HA GLU 78 6.517 9.813 -14.395 609 HB2 GLU 78 HB2 GLU 78 7.266 11.113 -12.436 610 HB3 GLU 78 HB3 GLU 78 8.935 10.718 -12.822 611 HG2 GLU 78 HG2 GLU 78 8.427 11.814 -15.100 612 HG3 GLU 78 HG3 GLU 78 7.043 12.521 -14.268 613 H ASP 79 H ASP 79 9.463 8.049 -13.857 614 HA ASP 79 HA ASP 79 10.721 8.865 -16.309 615 HB2 ASP 79 HB2 ASP 79 11.341 6.942 -14.117 616 HB3 ASP 79 HB3 ASP 79 12.125 6.694 -15.675 617 H ILE 80 H ILE 80 9.072 5.932 -15.170 618 HA ILE 80 HA ILE 80 9.339 4.484 -17.578 619 HB ILE 80 HB ILE 80 8.792 3.388 -15.458 620 HG12 ILE 80 HG12 ILE 80 7.041 1.877 -16.302 621 HG13 ILE 80 HG13 ILE 80 6.626 3.051 -17.546 622 HG21 ILE 80 HG21 ILE 80 7.170 5.343 -14.859 623 HG22 ILE 80 HG22 ILE 80 5.967 4.327 -15.652 624 HG23 ILE 80 HG23 ILE 80 6.855 3.716 -14.256 625 HD11 ILE 80 HD11 ILE 80 8.731 2.753 -18.623 626 HD12 ILE 80 HD12 ILE 80 9.328 1.757 -17.295 627 HD13 ILE 80 HD13 ILE 80 8.031 1.161 -18.332 628 H ARG 81 H ARG 81 6.890 6.719 -16.393 629 HA ARG 81 HA ARG 81 5.039 6.237 -18.512 630 HB2 ARG 81 HB2 ARG 81 3.753 7.986 -17.596 631 HB3 ARG 81 HB3 ARG 81 4.532 7.225 -16.215 632 HG2 ARG 81 HG2 ARG 81 6.205 8.998 -16.171 633 HG3 ARG 81 HG3 ARG 81 5.440 9.757 -17.569 634 HD2 ARG 81 HD2 ARG 81 4.151 9.300 -14.880 635 HD3 ARG 81 HD3 ARG 81 4.778 10.837 -15.473 636 HE ARG 81 HE ARG 81 2.966 10.023 -17.363 637 HH11 ARG 81 HH11 ARG 81 2.888 10.676 -13.944 638 HH12 ARG 81 HH12 ARG 81 1.231 11.183 -13.947 639 HH21 ARG 81 HH21 ARG 81 0.785 10.688 -17.380 640 HH22 ARG 81 HH22 ARG 81 0.035 11.189 -15.901 641 H LEU 82 H LEU 82 7.709 8.447 -18.001 642 HA LEU 82 HA LEU 82 7.122 10.165 -20.194 643 HB2 LEU 82 HB2 LEU 82 8.568 10.728 -18.227 644 HB3 LEU 82 HB3 LEU 82 9.802 9.672 -18.910 645 HG LEU 82 HG LEU 82 10.079 12.166 -19.289 646 HD11 LEU 82 HD11 LEU 82 11.222 11.784 -21.235 647 HD12 LEU 82 HD12 LEU 82 9.950 10.769 -21.915 648 HD13 LEU 82 HD13 LEU 82 11.010 10.130 -20.658 649 HD21 LEU 82 HD21 LEU 82 8.689 13.341 -20.656 650 HD22 LEU 82 HD22 LEU 82 7.516 12.216 -19.970 651 HD23 LEU 82 HD23 LEU 82 8.195 11.914 -21.569 652 H MET 83 H MET 83 9.220 7.346 -19.767 653 HA MET 83 HA MET 83 10.407 7.426 -22.325 654 HB2 MET 83 HB2 MET 83 10.190 5.465 -20.122 655 HB3 MET 83 HB3 MET 83 10.498 4.790 -21.717 656 HG2 MET 83 HG2 MET 83 12.513 5.316 -20.281 657 HG3 MET 83 HG3 MET 83 12.528 5.927 -21.934 658 HE1 MET 83 HE1 MET 83 12.395 8.124 -18.005 659 HE2 MET 83 HE2 MET 83 12.376 6.393 -18.346 660 HE3 MET 83 HE3 MET 83 13.862 7.318 -18.561 661 H VAL 84 H VAL 84 7.716 5.439 -21.087 662 HA VAL 84 HA VAL 84 7.076 4.171 -23.488 663 HB VAL 84 HB VAL 84 6.168 3.439 -21.339 664 HG11 VAL 84 HG11 VAL 84 4.539 4.627 -20.121 665 HG12 VAL 84 HG12 VAL 84 5.780 5.815 -20.524 666 HG13 VAL 84 HG13 VAL 84 4.272 5.770 -21.438 667 HG21 VAL 84 HG21 VAL 84 3.764 4.185 -22.944 668 HG22 VAL 84 HG22 VAL 84 4.991 3.133 -23.651 669 HG23 VAL 84 HG23 VAL 84 4.166 2.654 -22.168 670 H ASN 85 H ASN 85 6.153 7.320 -22.240 671 HA ASN 85 HA ASN 85 4.061 7.916 -23.993 672 HB2 ASN 85 HB2 ASN 85 5.924 9.476 -22.297 673 HB3 ASN 85 HB3 ASN 85 5.145 10.360 -23.606 674 HD21 ASN 85 HD21 ASN 85 4.844 10.480 -20.660 675 HD22 ASN 85 HD22 ASN 85 3.153 10.276 -20.371 676 H ASN 86 H ASN 86 7.533 8.653 -24.295 677 HA ASN 86 HA ASN 86 7.226 9.682 -26.958 678 HB2 ASN 86 HB2 ASN 86 9.017 10.319 -25.206 679 HB3 ASN 86 HB3 ASN 86 9.845 8.855 -25.728 680 HD21 ASN 86 HD21 ASN 86 11.108 8.958 -27.457 681 HD22 ASN 86 HD22 ASN 86 11.192 10.287 -28.558 682 H CYS 87 H CYS 87 7.723 6.591 -25.552 683 HA CYS 87 HA CYS 87 9.101 5.276 -27.607 684 HB2 CYS 87 HB2 CYS 87 8.348 4.504 -25.189 685 HB3 CYS 87 HB3 CYS 87 6.983 3.834 -26.073 686 HG CYS 87 HG CYS 87 10.274 2.985 -26.350 687 H ILE 88 H ILE 88 5.591 5.392 -26.985 688 HA ILE 88 HA ILE 88 5.000 4.216 -29.548 689 HB ILE 88 HB ILE 88 2.655 4.501 -28.945 690 HG12 ILE 88 HG12 ILE 88 2.481 5.363 -26.389 691 HG13 ILE 88 HG13 ILE 88 3.826 6.350 -26.949 692 HG21 ILE 88 HG21 ILE 88 3.628 3.574 -26.352 693 HG22 ILE 88 HG22 ILE 88 2.708 2.721 -27.590 694 HG23 ILE 88 HG23 ILE 88 4.462 2.849 -27.727 695 HD11 ILE 88 HD11 ILE 88 2.102 7.726 -27.468 696 HD12 ILE 88 HD12 ILE 88 2.180 6.798 -28.965 697 HD13 ILE 88 HD13 ILE 88 0.975 6.398 -27.741 698 H LEU 89 H LEU 89 5.133 7.419 -28.171 699 HA LEU 89 HA LEU 89 3.685 8.731 -30.245 700 HB2 LEU 89 HB2 LEU 89 3.851 9.807 -28.131 701 HB3 LEU 89 HB3 LEU 89 5.610 9.712 -28.152 702 HG LEU 89 HG LEU 89 4.703 11.218 -30.417 703 HD11 LEU 89 HD11 LEU 89 2.802 11.491 -28.596 704 HD12 LEU 89 HD12 LEU 89 3.367 12.852 -29.565 705 HD13 LEU 89 HD13 LEU 89 3.959 12.636 -27.918 706 HD21 LEU 89 HD21 LEU 89 6.864 11.157 -28.810 707 HD22 LEU 89 HD22 LEU 89 6.023 12.559 -28.149 708 HD23 LEU 89 HD23 LEU 89 6.459 12.517 -29.858 709 H PHE 90 H PHE 90 7.138 9.092 -29.435 710 HA PHE 90 HA PHE 90 7.937 10.209 -31.834 711 HB2 PHE 90 HB2 PHE 90 9.307 10.029 -29.734 712 HB3 PHE 90 HB3 PHE 90 9.624 8.349 -30.152 713 HD1 PHE 90 HD1 PHE 90 9.610 11.518 -32.122 714 HD2 PHE 90 HD2 PHE 90 11.794 8.096 -30.842 715 HE1 PHE 90 HE1 PHE 90 11.521 12.226 -33.500 716 HE2 PHE 90 HE2 PHE 90 13.709 8.800 -32.217 717 HZ PHE 90 HZ PHE 90 13.574 10.866 -33.550 718 H ASN 91 H ASN 91 8.395 6.792 -30.906 719 HA ASN 91 HA ASN 91 7.432 5.685 -33.275 720 HB2 ASN 91 HB2 ASN 91 9.934 6.914 -33.662 721 HB3 ASN 91 HB3 ASN 91 10.255 5.184 -33.602 722 HD21 ASN 91 HD21 ASN 91 8.260 3.995 -34.799 723 HD22 ASN 91 HD22 ASN 91 8.044 4.549 -36.421 724 H GLY 92 H GLY 92 6.734 3.865 -32.359 725 HA2 GLY 92 HA2 GLY 92 8.619 1.929 -31.386 726 HA3 GLY 92 HA3 GLY 92 7.627 2.607 -30.102 727 H ALA 93 H ALA 93 5.221 2.554 -30.541 728 HA ALA 93 HA ALA 93 4.554 -0.116 -31.535 729 HB1 ALA 93 HB1 ALA 93 3.290 -0.200 -29.716 730 HB2 ALA 93 HB2 ALA 93 3.664 1.483 -29.344 731 HB3 ALA 93 HB3 ALA 93 2.288 1.093 -30.375 732 H GLU 94 H GLU 94 2.711 2.931 -31.476 733 HA GLU 94 HA GLU 94 1.395 3.941 -33.032 734 HB2 GLU 94 HB2 GLU 94 3.823 3.571 -34.225 735 HB3 GLU 94 HB3 GLU 94 2.752 2.767 -35.364 736 HG2 GLU 94 HG2 GLU 94 2.644 4.842 -36.234 737 HG3 GLU 94 HG3 GLU 94 1.368 5.015 -35.030 738 H GLY 95 H GLY 95 1.010 1.017 -32.240 739 HA2 GLY 95 HA2 GLY 95 -1.394 0.535 -33.521 740 HA3 GLY 95 HA3 GLY 95 -0.173 -0.297 -34.472 741 H ALA 96 H ALA 96 1.468 -0.816 -32.054 742 HA ALA 96 HA ALA 96 -0.199 -2.944 -30.877 743 HB1 ALA 96 HB1 ALA 96 2.742 -3.009 -31.539 744 HB2 ALA 96 HB2 ALA 96 1.880 -4.269 -30.655 745 HB3 ALA 96 HB3 ALA 96 1.456 -3.920 -32.331 746 H TYR 97 H TYR 97 -0.513 -0.818 -29.485 747 HA TYR 97 HA TYR 97 1.397 0.117 -27.728 748 HB2 TYR 97 HB2 TYR 97 -0.402 0.894 -26.350 749 HB3 TYR 97 HB3 TYR 97 -0.938 1.004 -28.023 750 HD1 TYR 97 HD1 TYR 97 -2.482 -0.782 -28.920 751 HD2 TYR 97 HD2 TYR 97 -1.594 -0.397 -24.777 752 HE1 TYR 97 HE1 TYR 97 -4.476 -2.114 -28.374 753 HE2 TYR 97 HE2 TYR 97 -3.585 -1.729 -24.220 754 HH TYR 97 HH TYR 97 -5.403 -3.413 -26.635 755 H ALA 98 H ALA 98 -0.348 -2.894 -27.676 756 HA ALA 98 HA ALA 98 -0.058 -3.667 -25.027 757 HB1 ALA 98 HB1 ALA 98 0.357 -5.760 -27.075 758 HB2 ALA 98 HB2 ALA 98 -0.752 -5.715 -25.703 759 HB3 ALA 98 HB3 ALA 98 -1.137 -4.828 -27.178 760 H ASP 99 H ASP 99 2.309 -3.483 -27.565 761 HA ASP 99 HA ASP 99 4.264 -5.191 -26.461 762 HB2 ASP 99 HB2 ASP 99 4.355 -2.913 -28.418 763 HB3 ASP 99 HB3 ASP 99 5.841 -3.677 -27.862 764 H ALA 100 H ALA 100 3.554 -1.770 -26.004 765 HA ALA 100 HA ALA 100 5.860 -1.326 -24.334 766 HB1 ALA 100 HB1 ALA 100 3.691 0.635 -24.179 767 HB2 ALA 100 HB2 ALA 100 5.398 0.855 -24.567 768 HB3 ALA 100 HB3 ALA 100 4.272 0.319 -25.815 769 H ALA 101 H ALA 101 2.606 -2.374 -23.897 770 HA ALA 101 HA ALA 101 2.317 -1.633 -21.161 771 HB1 ALA 101 HB1 ALA 101 0.829 -3.967 -22.221 772 HB2 ALA 101 HB2 ALA 101 0.260 -2.595 -21.270 773 HB3 ALA 101 HB3 ALA 101 0.559 -2.407 -22.998 774 H ARG 102 H ARG 102 3.687 -4.380 -22.830 775 HA ARG 102 HA ARG 102 3.737 -6.222 -20.717 776 HB2 ARG 102 HB2 ARG 102 4.407 -6.379 -23.298 777 HB3 ARG 102 HB3 ARG 102 6.017 -6.164 -22.626 778 HG2 ARG 102 HG2 ARG 102 4.598 -8.134 -21.109 779 HG3 ARG 102 HG3 ARG 102 4.534 -8.533 -22.827 780 HD2 ARG 102 HD2 ARG 102 7.126 -7.700 -21.602 781 HD3 ARG 102 HD3 ARG 102 6.535 -9.341 -21.349 782 HE ARG 102 HE ARG 102 6.356 -8.975 -24.042 783 HH11 ARG 102 HH11 ARG 102 8.911 -8.679 -21.696 784 HH12 ARG 102 HH12 ARG 102 10.165 -9.098 -22.816 785 HH21 ARG 102 HH21 ARG 102 7.997 -9.529 -25.525 786 HH22 ARG 102 HH22 ARG 102 9.644 -9.581 -24.994 787 H THR 103 H THR 103 6.254 -3.950 -21.810 788 HA THR 103 HA THR 103 8.095 -4.547 -19.764 789 HB THR 103 HB THR 103 8.850 -3.412 -21.755 790 HG1 THR 103 HG1 THR 103 9.713 -2.870 -19.509 791 HG21 THR 103 HG21 THR 103 7.112 -1.106 -20.868 792 HG22 THR 103 HG22 THR 103 6.825 -2.143 -22.265 793 HG23 THR 103 HG23 THR 103 8.234 -1.082 -22.228 794 H PHE 104 H PHE 104 5.423 -2.278 -19.958 795 HA PHE 104 HA PHE 104 6.029 -0.719 -17.704 796 HB2 PHE 104 HB2 PHE 104 4.344 -0.016 -19.305 797 HB3 PHE 104 HB3 PHE 104 3.349 -1.417 -18.921 798 HD1 PHE 104 HD1 PHE 104 4.624 1.794 -17.650 799 HD2 PHE 104 HD2 PHE 104 1.923 -1.436 -17.026 800 HE1 PHE 104 HE1 PHE 104 3.478 3.094 -15.903 801 HE2 PHE 104 HE2 PHE 104 0.772 -0.140 -15.279 802 HZ PHE 104 HZ PHE 104 1.549 2.128 -14.716 803 H GLU 105 H GLU 105 3.913 -3.567 -18.014 804 HA GLU 105 HA GLU 105 3.092 -3.772 -15.379 805 HB2 GLU 105 HB2 GLU 105 3.468 -5.749 -17.587 806 HB3 GLU 105 HB3 GLU 105 3.118 -6.344 -15.970 807 HG2 GLU 105 HG2 GLU 105 1.084 -4.974 -15.920 808 HG3 GLU 105 HG3 GLU 105 1.427 -4.429 -17.561 809 H LYS 106 H LYS 106 6.020 -5.050 -16.903 810 HA LYS 106 HA LYS 106 7.031 -6.563 -14.822 811 HB2 LYS 106 HB2 LYS 106 7.963 -6.290 -17.173 812 HB3 LYS 106 HB3 LYS 106 8.738 -4.820 -16.596 813 HG2 LYS 106 HG2 LYS 106 10.401 -6.426 -16.417 814 HG3 LYS 106 HG3 LYS 106 9.761 -6.312 -14.776 815 HD2 LYS 106 HD2 LYS 106 8.286 -8.256 -16.304 816 HD3 LYS 106 HD3 LYS 106 10.013 -8.613 -16.355 817 HE2 LYS 106 HE2 LYS 106 9.725 -8.040 -13.740 818 HE3 LYS 106 HE3 LYS 106 8.120 -8.679 -14.090 819 HZ1 LYS 106 HZ1 LYS 106 10.353 -10.223 -15.121 820 HZ2 LYS 106 HZ2 LYS 106 8.913 -10.746 -14.401 821 HZ3 LYS 106 HZ3 LYS 106 10.193 -10.204 -13.437 822 H PHE 107 H PHE 107 7.580 -3.103 -15.457 823 HA PHE 107 HA PHE 107 9.255 -2.520 -13.344 824 HB2 PHE 107 HB2 PHE 107 7.365 -0.986 -15.014 825 HB3 PHE 107 HB3 PHE 107 7.766 -0.249 -13.466 826 HD1 PHE 107 HD1 PHE 107 9.208 -1.556 -16.608 827 HD2 PHE 107 HD2 PHE 107 9.841 0.798 -13.119 828 HE1 PHE 107 HE1 PHE 107 11.315 -0.717 -17.560 829 HE2 PHE 107 HE2 PHE 107 11.949 1.642 -14.066 830 HZ PHE 107 HZ PHE 107 12.688 0.885 -16.290 831 H ALA 108 H ALA 108 5.709 -2.582 -13.377 832 HA ALA 108 HA ALA 108 5.303 -1.718 -10.740 833 HB1 ALA 108 HB1 ALA 108 3.072 -2.426 -10.980 834 HB2 ALA 108 HB2 ALA 108 3.586 -1.945 -12.597 835 HB3 ALA 108 HB3 ALA 108 3.504 -3.654 -12.170 836 H MET 109 H MET 109 5.733 -4.967 -12.087 837 HA MET 109 HA MET 109 5.229 -6.429 -9.757 838 HB2 MET 109 HB2 MET 109 5.757 -7.115 -12.294 839 HB3 MET 109 HB3 MET 109 7.343 -7.414 -11.596 840 HG2 MET 109 HG2 MET 109 6.375 -8.940 -9.983 841 HG3 MET 109 HG3 MET 109 4.762 -8.602 -10.606 842 HE1 MET 109 HE1 MET 109 5.945 -11.279 -10.072 843 HE2 MET 109 HE2 MET 109 4.538 -11.596 -11.088 844 HE3 MET 109 HE3 MET 109 6.099 -12.307 -11.497 845 H GLY 110 H GLY 110 8.279 -5.119 -11.029 846 HA2 GLY 110 HA2 GLY 110 9.990 -6.146 -9.072 847 HA3 GLY 110 HA3 GLY 110 10.283 -4.683 -10.000 848 H LYS 111 H LYS 111 7.911 -3.319 -9.013 849 HA LYS 111 HA LYS 111 9.033 -2.074 -6.745 850 HB2 LYS 111 HB2 LYS 111 7.182 -1.320 -8.526 851 HB3 LYS 111 HB3 LYS 111 6.109 -1.836 -7.232 852 HG2 LYS 111 HG2 LYS 111 8.214 -0.200 -6.172 853 HG3 LYS 111 HG3 LYS 111 7.401 0.627 -7.502 854 HD2 LYS 111 HD2 LYS 111 5.644 -0.736 -5.563 855 HD3 LYS 111 HD3 LYS 111 6.525 0.666 -4.952 856 HE2 LYS 111 HE2 LYS 111 4.286 1.217 -5.873 857 HE3 LYS 111 HE3 LYS 111 5.609 2.064 -6.674 858 HZ1 LYS 111 HZ1 LYS 111 5.405 0.763 -8.563 859 HZ2 LYS 111 HZ2 LYS 111 3.793 1.001 -8.108 860 HZ3 LYS 111 HZ3 LYS 111 4.559 -0.467 -7.767 861 H ILE 112 H ILE 112 6.389 -4.408 -7.103 862 HA ILE 112 HA ILE 112 5.556 -4.479 -4.437 863 HB ILE 112 HB ILE 112 5.542 -6.739 -6.441 864 HG12 ILE 112 HG12 ILE 112 3.035 -5.343 -5.854 865 HG13 ILE 112 HG13 ILE 112 4.247 -4.308 -6.601 866 HG21 ILE 112 HG21 ILE 112 3.515 -7.409 -4.986 867 HG22 ILE 112 HG22 ILE 112 5.139 -7.774 -4.405 868 HG23 ILE 112 HG23 ILE 112 4.263 -6.387 -3.759 869 HD11 ILE 112 HD11 ILE 112 4.187 -6.779 -8.001 870 HD12 ILE 112 HD12 ILE 112 2.536 -6.182 -7.830 871 HD13 ILE 112 HD13 ILE 112 3.770 -5.165 -8.577 872 H ASP 113 H ASP 113 8.123 -6.246 -6.096 873 HA ASP 113 HA ASP 113 8.767 -8.043 -4.044 874 HB2 ASP 113 HB2 ASP 113 10.283 -6.899 -6.365 875 HB3 ASP 113 HB3 ASP 113 11.120 -7.896 -5.178 876 H ALA 114 H ALA 114 10.188 -4.871 -4.820 877 HA ALA 114 HA ALA 114 11.998 -4.802 -2.672 878 HB1 ALA 114 HB1 ALA 114 10.814 -2.744 -4.477 879 HB2 ALA 114 HB2 ALA 114 11.741 -2.230 -3.067 880 HB3 ALA 114 HB3 ALA 114 12.493 -3.250 -4.293 881 H TYR 115 H TYR 115 8.625 -3.838 -2.937 882 HA TYR 115 HA TYR 115 8.315 -2.330 -0.647 883 HB2 TYR 115 HB2 TYR 115 6.554 -2.737 -2.362 884 HB3 TYR 115 HB3 TYR 115 6.333 -4.355 -1.706 885 HD1 TYR 115 HD1 TYR 115 6.860 -1.175 0.150 886 HD2 TYR 115 HD2 TYR 115 4.151 -4.296 -0.862 887 HE1 TYR 115 HE1 TYR 115 5.242 -0.290 1.777 888 HE2 TYR 115 HE2 TYR 115 2.525 -3.419 0.761 889 HH TYR 115 HH TYR 115 1.988 -1.527 1.991 890 H ILE 116 H ILE 116 7.943 -5.860 -0.956 891 HA ILE 116 HA ILE 116 7.438 -6.382 1.748 892 HB ILE 116 HB ILE 116 8.779 -8.184 -0.272 893 HG12 ILE 116 HG12 ILE 116 5.875 -8.138 0.552 894 HG13 ILE 116 HG13 ILE 116 6.483 -7.259 -0.846 895 HG21 ILE 116 HG21 ILE 116 9.134 -9.478 1.519 896 HG22 ILE 116 HG22 ILE 116 8.036 -8.539 2.530 897 HG23 ILE 116 HG23 ILE 116 7.399 -9.787 1.460 898 HD11 ILE 116 HD11 ILE 116 6.091 -9.091 -2.023 899 HD12 ILE 116 HD12 ILE 116 7.452 -9.831 -1.181 900 HD13 ILE 116 HD13 ILE 116 5.813 -10.048 -0.568 901 H SER 117 H SER 117 10.481 -6.242 -0.055 902 HA SER 117 HA SER 117 12.209 -7.170 1.914 903 HB2 SER 117 HB2 SER 117 12.453 -5.971 -0.630 904 HB3 SER 117 HB3 SER 117 13.444 -5.008 0.466 905 HG SER 117 HG SER 117 14.288 -7.084 -0.615 906 H GLN 118 H GLN 118 10.665 -4.062 1.548 907 HA GLN 118 HA GLN 118 11.921 -3.199 4.068 908 HB2 GLN 118 HB2 GLN 118 11.641 -0.845 3.203 909 HB3 GLN 118 HB3 GLN 118 12.861 -1.811 2.383 910 HG2 GLN 118 HG2 GLN 118 10.431 -2.194 1.004 911 HG3 GLN 118 HG3 GLN 118 10.606 -0.464 1.291 912 HE21 GLN 118 HE21 GLN 118 12.989 -3.008 0.665 913 HE22 GLN 118 HE22 GLN 118 13.674 -2.263 -0.735 914 H LYS 119 H LYS 119 10.197 -3.942 5.312 915 HA LYS 119 HA LYS 119 7.662 -2.488 4.923 916 HB2 LYS 119 HB2 LYS 119 7.278 -4.832 4.547 917 HB3 LYS 119 HB3 LYS 119 8.141 -5.262 6.018 918 HG2 LYS 119 HG2 LYS 119 6.388 -4.102 7.329 919 HG3 LYS 119 HG3 LYS 119 5.501 -3.828 5.827 920 HD2 LYS 119 HD2 LYS 119 4.717 -5.922 5.795 921 HD3 LYS 119 HD3 LYS 119 6.301 -6.606 6.169 922 HE2 LYS 119 HE2 LYS 119 5.888 -6.685 8.394 923 HE3 LYS 119 HE3 LYS 119 4.928 -5.206 8.377 924 HZ1 LYS 119 HZ1 LYS 119 3.148 -6.539 7.273 925 HZ2 LYS 119 HZ2 LYS 119 3.475 -6.989 8.871 926 HZ3 LYS 119 HZ3 LYS 119 4.058 -7.929 7.591 927 H VAL 120 H VAL 120 9.625 -4.095 7.431 928 HA VAL 120 HA VAL 120 8.423 -2.590 9.552 929 HB VAL 120 HB VAL 120 9.364 -4.869 9.874 930 HG11 VAL 120 HG11 VAL 120 11.580 -5.380 9.689 931 HG12 VAL 120 HG12 VAL 120 11.472 -4.119 8.459 932 HG13 VAL 120 HG13 VAL 120 12.105 -3.739 10.062 933 HG21 VAL 120 HG21 VAL 120 10.953 -3.195 11.721 934 HG22 VAL 120 HG22 VAL 120 9.224 -2.857 11.636 935 HG23 VAL 120 HG23 VAL 120 9.786 -4.472 12.065 936 H GLY 121 H GLY 121 10.815 -1.906 7.271 937 HA2 GLY 121 HA2 GLY 121 12.564 -0.294 8.825 938 HA3 GLY 121 HA3 GLY 121 12.397 -0.249 7.076 939 H GLY 122 H GLY 122 9.487 0.317 7.292 940 HA2 GLY 122 HA2 GLY 122 8.501 2.351 8.612 941 HA3 GLY 122 HA3 GLY 122 9.773 3.200 7.745 942 H LEU 123 H LEU 123 9.106 1.005 5.573 943 HA LEU 123 HA LEU 123 7.226 2.729 4.168 944 HB2 LEU 123 HB2 LEU 123 9.431 1.632 3.261 945 HB3 LEU 123 HB3 LEU 123 8.379 0.244 2.988 946 HG LEU 123 HG LEU 123 6.900 1.854 1.659 947 HD11 LEU 123 HD11 LEU 123 7.488 3.981 1.467 948 HD12 LEU 123 HD12 LEU 123 9.076 3.523 0.852 949 HD13 LEU 123 HD13 LEU 123 8.818 3.690 2.589 950 HD21 LEU 123 HD21 LEU 123 8.736 0.109 0.883 951 HD22 LEU 123 HD22 LEU 123 9.530 1.576 0.308 952 HD23 LEU 123 HD23 LEU 123 7.912 1.167 -0.264 953 H GLU 124 H GLU 124 7.289 -0.277 5.834 954 HA GLU 124 HA GLU 124 5.723 -1.881 6.228 955 HB2 GLU 124 HB2 GLU 124 3.828 0.324 5.395 956 HB3 GLU 124 HB3 GLU 124 3.366 -1.152 6.232 957 HG2 GLU 124 HG2 GLU 124 5.096 -0.369 8.006 958 HG3 GLU 124 HG3 GLU 124 4.872 1.209 7.253 Start of MODEL 10 1 H1 MET 1 H1 MET 1 0.522 -1.328 -2.383 2 HA MET 1 HA MET 1 -0.082 1.526 -2.187 3 HB2 MET 1 HB2 MET 1 -0.555 -0.844 -0.497 4 HB3 MET 1 HB3 MET 1 -0.138 0.624 0.379 5 HG2 MET 1 HG2 MET 1 -2.078 1.258 -1.607 6 HG3 MET 1 HG3 MET 1 -2.634 -0.135 -0.683 7 HE1 MET 1 HE1 MET 1 -3.994 1.037 2.325 8 HE2 MET 1 HE2 MET 1 -4.820 1.501 0.837 9 HE3 MET 1 HE3 MET 1 -3.950 -0.030 0.921 10 H SER 2 H SER 2 1.085 2.899 -0.744 11 HA SER 2 HA SER 2 3.659 1.958 0.234 12 HB2 SER 2 HB2 SER 2 4.940 3.674 -0.924 13 HB3 SER 2 HB3 SER 2 4.083 2.684 -2.105 14 HG SER 2 HG SER 2 2.948 4.364 -2.683 15 H GLN 3 H GLN 3 4.830 4.304 0.922 16 HA GLN 3 HA GLN 3 2.837 5.571 2.683 17 HB2 GLN 3 HB2 GLN 3 5.043 4.099 3.452 18 HB3 GLN 3 HB3 GLN 3 5.615 5.758 3.572 19 HG2 GLN 3 HG2 GLN 3 3.394 4.418 5.053 20 HG3 GLN 3 HG3 GLN 3 4.775 5.314 5.682 21 HE21 GLN 3 HE21 GLN 3 4.814 7.664 5.000 22 HE22 GLN 3 HE22 GLN 3 3.309 8.511 5.070 23 H ASN 4 H ASN 4 2.427 7.575 2.041 24 HA ASN 4 HA ASN 4 4.255 9.060 0.403 25 HB2 ASN 4 HB2 ASN 4 2.500 10.889 0.697 26 HB3 ASN 4 HB3 ASN 4 1.960 9.401 -0.076 27 HD21 ASN 4 HD21 ASN 4 0.587 8.013 1.035 28 HD22 ASN 4 HD22 ASN 4 -0.287 8.517 2.437 29 H ARG 5 H ARG 5 6.040 9.017 1.977 30 HA ARG 5 HA ARG 5 6.144 11.487 3.432 31 HB2 ARG 5 HB2 ARG 5 5.037 10.071 5.099 32 HB3 ARG 5 HB3 ARG 5 6.330 8.887 4.963 33 HG2 ARG 5 HG2 ARG 5 7.923 10.593 5.782 34 HG3 ARG 5 HG3 ARG 5 6.566 11.697 6.016 35 HD2 ARG 5 HD2 ARG 5 5.913 10.676 7.902 36 HD3 ARG 5 HD3 ARG 5 6.172 9.068 7.229 37 HE ARG 5 HE ARG 5 8.685 9.973 7.672 38 HH11 ARG 5 HH11 ARG 5 5.836 9.727 9.657 39 HH12 ARG 5 HH12 ARG 5 6.722 9.503 11.129 40 HH21 ARG 5 HH21 ARG 5 9.863 9.679 9.603 41 HH22 ARG 5 HH22 ARG 5 9.012 9.476 11.097 42 H GLN 6 H GLN 6 7.882 8.435 3.957 43 HA GLN 6 HA GLN 6 10.238 9.602 2.650 44 HB2 GLN 6 HB2 GLN 6 11.634 9.288 4.444 45 HB3 GLN 6 HB3 GLN 6 10.140 9.674 5.287 46 HG2 GLN 6 HG2 GLN 6 11.274 6.928 4.807 47 HG3 GLN 6 HG3 GLN 6 11.225 7.800 6.339 48 HE21 GLN 6 HE21 GLN 6 9.991 5.236 5.158 49 HE22 GLN 6 HE22 GLN 6 8.342 5.326 5.666 50 H LEU 7 H LEU 7 11.794 8.059 1.903 51 HA LEU 7 HA LEU 7 10.620 5.395 1.459 52 HB2 LEU 7 HB2 LEU 7 12.077 7.279 -0.268 53 HB3 LEU 7 HB3 LEU 7 12.558 5.591 -0.424 54 HG LEU 7 HG LEU 7 10.757 6.533 -2.012 55 HD11 LEU 7 HD11 LEU 7 10.999 4.301 -2.296 56 HD12 LEU 7 HD12 LEU 7 9.407 4.281 -1.538 57 HD13 LEU 7 HD13 LEU 7 10.846 3.950 -0.574 58 HD21 LEU 7 HD21 LEU 7 8.604 6.809 -1.269 59 HD22 LEU 7 HD22 LEU 7 9.507 7.421 0.117 60 HD23 LEU 7 HD23 LEU 7 8.844 5.787 0.149 61 H LEU 8 H LEU 8 11.605 3.729 2.379 62 HA LEU 8 HA LEU 8 13.776 3.879 4.067 63 HB2 LEU 8 HB2 LEU 8 12.086 1.992 3.752 64 HB3 LEU 8 HB3 LEU 8 13.144 1.417 2.466 65 HG LEU 8 HG LEU 8 14.134 1.820 5.275 66 HD11 LEU 8 HD11 LEU 8 13.385 -0.198 5.970 67 HD12 LEU 8 HD12 LEU 8 13.431 -0.898 4.352 68 HD13 LEU 8 HD13 LEU 8 12.095 0.153 4.820 69 HD21 LEU 8 HD21 LEU 8 15.133 0.544 2.777 70 HD22 LEU 8 HD22 LEU 8 15.610 -0.140 4.331 71 HD23 LEU 8 HD23 LEU 8 15.985 1.542 3.956 72 H TYR 9 H TYR 9 13.915 2.256 0.894 73 HA TYR 9 HA TYR 9 16.159 3.636 -0.062 74 HB2 TYR 9 HB2 TYR 9 16.734 1.483 1.818 75 HB3 TYR 9 HB3 TYR 9 17.511 1.234 0.258 76 HD1 TYR 9 HD1 TYR 9 18.436 3.701 -0.671 77 HD2 TYR 9 HD2 TYR 9 18.150 2.412 3.373 78 HE1 TYR 9 HE1 TYR 9 20.208 5.288 -0.047 79 HE2 TYR 9 HE2 TYR 9 19.920 3.995 4.009 80 HH TYR 9 HH TYR 9 21.381 5.507 3.300 81 HA PRO 10 HA PRO 10 13.844 0.952 -3.039 82 HB2 PRO 10 HB2 PRO 10 13.468 2.924 -4.866 83 HB3 PRO 10 HB3 PRO 10 12.374 2.655 -3.505 84 HG2 PRO 10 HG2 PRO 10 14.580 4.657 -3.794 85 HG3 PRO 10 HG3 PRO 10 12.951 4.875 -3.127 86 HD2 PRO 10 HD2 PRO 10 15.136 4.550 -1.561 87 HD3 PRO 10 HD3 PRO 10 13.527 3.964 -1.090 88 H ARG 11 H ARG 11 15.182 -0.314 -4.158 89 HA ARG 11 HA ARG 11 16.656 0.542 -6.369 90 HB2 ARG 11 HB2 ARG 11 18.974 0.015 -5.399 91 HB3 ARG 11 HB3 ARG 11 18.266 1.578 -5.017 92 HG2 ARG 11 HG2 ARG 11 17.994 1.077 -2.818 93 HG3 ARG 11 HG3 ARG 11 17.770 -0.647 -3.124 94 HD2 ARG 11 HD2 ARG 11 20.302 -0.457 -3.884 95 HD3 ARG 11 HD3 ARG 11 20.271 0.920 -2.783 96 HE ARG 11 HE ARG 11 19.154 -1.438 -1.616 97 HH11 ARG 11 HH11 ARG 11 22.133 0.214 -2.337 98 HH12 ARG 11 HH12 ARG 11 23.018 -0.550 -1.058 99 HH21 ARG 11 HH21 ARG 11 20.309 -2.450 0.071 100 HH22 ARG 11 HH22 ARG 11 21.980 -2.065 0.310 101 H GLU 12 H GLU 12 16.357 -1.813 -3.771 102 HA GLU 12 HA GLU 12 17.595 -4.006 -4.918 103 HB2 GLU 12 HB2 GLU 12 16.633 -3.850 -2.597 104 HB3 GLU 12 HB3 GLU 12 15.045 -4.116 -3.303 105 HG2 GLU 12 HG2 GLU 12 15.531 -6.250 -2.745 106 HG3 GLU 12 HG3 GLU 12 16.279 -6.221 -4.341 107 H GLU 13 H GLU 13 14.535 -2.538 -5.682 108 HA GLU 13 HA GLU 13 13.703 -4.773 -7.345 109 HB2 GLU 13 HB2 GLU 13 11.687 -3.432 -7.766 110 HB3 GLU 13 HB3 GLU 13 12.000 -3.612 -6.046 111 HG2 GLU 13 HG2 GLU 13 11.627 -1.410 -5.988 112 HG3 GLU 13 HG3 GLU 13 13.295 -1.295 -6.547 113 H MET 14 H MET 14 15.010 -1.536 -7.671 114 HA MET 14 HA MET 14 14.563 -1.011 -10.340 115 HB2 MET 14 HB2 MET 14 16.742 -0.288 -8.432 116 HB3 MET 14 HB3 MET 14 16.964 0.085 -10.137 117 HG2 MET 14 HG2 MET 14 15.098 1.518 -10.173 118 HG3 MET 14 HG3 MET 14 14.523 0.931 -8.614 119 HE1 MET 14 HE1 MET 14 15.533 4.722 -8.061 120 HE2 MET 14 HE2 MET 14 14.658 3.899 -9.353 121 HE3 MET 14 HE3 MET 14 14.285 3.538 -7.668 122 H VAL 15 H VAL 15 16.992 -3.101 -8.880 123 HA VAL 15 HA VAL 15 18.415 -3.606 -11.301 124 HB VAL 15 HB VAL 15 19.541 -5.382 -10.083 125 HG11 VAL 15 HG11 VAL 15 20.732 -4.013 -8.699 126 HG12 VAL 15 HG12 VAL 15 19.832 -2.795 -9.606 127 HG13 VAL 15 HG13 VAL 15 19.289 -3.280 -7.999 128 HG21 VAL 15 HG21 VAL 15 17.140 -5.242 -8.426 129 HG22 VAL 15 HG22 VAL 15 18.267 -6.574 -8.681 130 HG23 VAL 15 HG23 VAL 15 18.637 -5.321 -7.497 131 H SER 16 H SER 16 15.649 -5.029 -9.723 132 HA SER 16 HA SER 16 15.581 -7.522 -10.974 133 HB2 SER 16 HB2 SER 16 13.220 -5.801 -10.179 134 HB3 SER 16 HB3 SER 16 13.191 -7.543 -10.452 135 HG SER 16 HG SER 16 13.416 -7.302 -8.287 136 H LEU 17 H LEU 17 14.157 -4.433 -12.000 137 HA LEU 17 HA LEU 17 12.886 -5.314 -14.311 138 HB2 LEU 17 HB2 LEU 17 14.228 -2.654 -13.850 139 HB3 LEU 17 HB3 LEU 17 13.015 -3.001 -15.081 140 HG LEU 17 HG LEU 17 11.654 -2.037 -13.556 141 HD11 LEU 17 HD11 LEU 17 10.430 -3.639 -12.325 142 HD12 LEU 17 HD12 LEU 17 11.828 -4.703 -12.178 143 HD13 LEU 17 HD13 LEU 17 11.052 -4.480 -13.745 144 HD21 LEU 17 HD21 LEU 17 12.413 -2.802 -10.974 145 HD22 LEU 17 HD22 LEU 17 12.636 -1.227 -11.737 146 HD23 LEU 17 HD23 LEU 17 13.915 -2.439 -11.826 147 H VAL 18 H VAL 18 15.988 -3.552 -14.259 148 HA VAL 18 HA VAL 18 16.751 -4.025 -16.861 149 HB VAL 18 HB VAL 18 17.940 -2.507 -15.306 150 HG11 VAL 18 HG11 VAL 18 18.026 -3.973 -13.359 151 HG12 VAL 18 HG12 VAL 18 19.132 -5.053 -14.210 152 HG13 VAL 18 HG13 VAL 18 19.640 -3.415 -13.798 153 HG21 VAL 18 HG21 VAL 18 18.908 -3.653 -17.475 154 HG22 VAL 18 HG22 VAL 18 19.914 -2.619 -16.460 155 HG23 VAL 18 HG23 VAL 18 20.027 -4.373 -16.317 156 H ARG 19 H ARG 19 16.973 -6.157 -14.093 157 HA ARG 19 HA ARG 19 18.696 -8.072 -15.313 158 HB2 ARG 19 HB2 ARG 19 16.953 -8.037 -12.877 159 HB3 ARG 19 HB3 ARG 19 17.632 -9.560 -13.437 160 HG2 ARG 19 HG2 ARG 19 19.848 -8.795 -13.121 161 HG3 ARG 19 HG3 ARG 19 19.311 -7.131 -12.883 162 HD2 ARG 19 HD2 ARG 19 19.945 -8.379 -10.791 163 HD3 ARG 19 HD3 ARG 19 18.341 -7.649 -10.786 164 HE ARG 19 HE ARG 19 17.441 -9.739 -10.603 165 HH11 ARG 19 HH11 ARG 19 20.721 -10.023 -11.733 166 HH12 ARG 19 HH12 ARG 19 20.746 -11.752 -11.627 167 HH21 ARG 19 HH21 ARG 19 17.462 -12.015 -10.457 168 HH22 ARG 19 HH22 ARG 19 18.891 -12.884 -10.901 169 H SER 20 H SER 20 15.205 -7.685 -15.066 170 HA SER 20 HA SER 20 14.450 -10.208 -16.036 171 HB2 SER 20 HB2 SER 20 12.331 -9.408 -15.898 172 HB3 SER 20 HB3 SER 20 13.098 -8.043 -15.087 173 HG SER 20 HG SER 20 13.219 -7.029 -17.167 174 H LEU 21 H LEU 21 15.529 -7.316 -17.656 175 HA LEU 21 HA LEU 21 14.968 -8.532 -20.270 176 HB2 LEU 21 HB2 LEU 21 15.197 -6.367 -21.223 177 HB3 LEU 21 HB3 LEU 21 14.153 -6.224 -19.811 178 HG LEU 21 HG LEU 21 16.779 -5.684 -18.935 179 HD11 LEU 21 HD11 LEU 21 17.797 -4.376 -20.444 180 HD12 LEU 21 HD12 LEU 21 16.283 -3.668 -21.006 181 HD13 LEU 21 HD13 LEU 21 16.799 -5.241 -21.612 182 HD21 LEU 21 HD21 LEU 21 14.228 -4.185 -19.295 183 HD22 LEU 21 HD22 LEU 21 15.691 -3.300 -18.861 184 HD23 LEU 21 HD23 LEU 21 15.099 -4.592 -17.816 185 H ASP 22 H ASP 22 16.636 -8.319 -21.946 186 HA ASP 22 HA ASP 22 19.287 -7.646 -21.516 187 HB2 ASP 22 HB2 ASP 22 18.612 -10.008 -20.118 188 HB3 ASP 22 HB3 ASP 22 19.586 -10.503 -21.500 189 H ARG 23 H ARG 23 19.000 -6.974 -23.647 190 HA ARG 23 HA ARG 23 19.828 -8.774 -25.643 191 HB2 ARG 23 HB2 ARG 23 17.319 -9.365 -25.222 192 HB3 ARG 23 HB3 ARG 23 17.005 -7.898 -26.139 193 HG2 ARG 23 HG2 ARG 23 16.912 -9.828 -27.586 194 HG3 ARG 23 HG3 ARG 23 18.289 -8.811 -28.018 195 HD2 ARG 23 HD2 ARG 23 18.717 -11.303 -27.950 196 HD3 ARG 23 HD3 ARG 23 19.825 -10.297 -27.018 197 HE ARG 23 HE ARG 23 19.018 -11.241 -25.080 198 HH11 ARG 23 HH11 ARG 23 16.990 -12.133 -27.764 199 HH12 ARG 23 HH12 ARG 23 16.106 -13.324 -26.869 200 HH21 ARG 23 HH21 ARG 23 17.862 -12.806 -23.890 201 HH22 ARG 23 HH22 ARG 23 16.602 -13.705 -24.665 202 HA PRO 24 HA PRO 24 20.249 -4.187 -26.390 203 HB2 PRO 24 HB2 PRO 24 22.954 -4.216 -26.615 204 HB3 PRO 24 HB3 PRO 24 22.121 -4.030 -25.067 205 HG2 PRO 24 HG2 PRO 24 23.342 -6.480 -26.278 206 HG3 PRO 24 HG3 PRO 24 23.422 -5.900 -24.604 207 HD2 PRO 24 HD2 PRO 24 21.736 -7.871 -25.384 208 HD3 PRO 24 HD3 PRO 24 21.336 -6.730 -24.083 209 H GLN 25 H GLN 25 19.172 -4.914 -28.400 210 HA GLN 25 HA GLN 25 20.507 -6.122 -30.537 211 HB2 GLN 25 HB2 GLN 25 18.212 -4.158 -30.541 212 HB3 GLN 25 HB3 GLN 25 18.746 -5.052 -31.957 213 HG2 GLN 25 HG2 GLN 25 17.753 -6.303 -29.407 214 HG3 GLN 25 HG3 GLN 25 16.781 -6.047 -30.855 215 HE21 GLN 25 HE21 GLN 25 18.441 -6.761 -32.853 216 HE22 GLN 25 HE22 GLN 25 18.867 -8.430 -32.722 217 H GLU 26 H GLU 26 19.999 -2.666 -29.850 218 HA GLU 26 HA GLU 26 21.629 -1.835 -32.060 219 HB2 GLU 26 HB2 GLU 26 19.908 -0.579 -30.090 220 HB3 GLU 26 HB3 GLU 26 21.400 0.325 -30.307 221 HG2 GLU 26 HG2 GLU 26 19.974 -0.560 -32.746 222 HG3 GLU 26 HG3 GLU 26 19.251 0.739 -31.800 223 H ASN 27 H ASN 27 22.013 -1.810 -28.523 224 HA ASN 27 HA ASN 27 23.848 -1.563 -27.192 225 HB2 ASN 27 HB2 ASN 27 24.221 -3.786 -28.479 226 HB3 ASN 27 HB3 ASN 27 25.452 -2.888 -29.362 227 HD21 ASN 27 HD21 ASN 27 24.438 -3.015 -25.963 228 HD22 ASN 27 HD22 ASN 27 26.013 -3.339 -25.330 229 H GLY 28 H GLY 28 23.480 0.795 -28.119 230 HA2 GLY 28 HA2 GLY 28 26.126 1.858 -28.521 231 HA3 GLY 28 HA3 GLY 28 25.083 2.055 -29.922 232 H LEU 29 H LEU 29 22.649 2.459 -28.483 233 HA LEU 29 HA LEU 29 22.883 4.545 -26.588 234 HB2 LEU 29 HB2 LEU 29 23.640 5.551 -28.868 235 HB3 LEU 29 HB3 LEU 29 21.915 5.561 -29.228 236 HG LEU 29 HG LEU 29 22.731 7.738 -28.430 237 HD11 LEU 29 HD11 LEU 29 20.417 6.529 -27.808 238 HD12 LEU 29 HD12 LEU 29 20.812 8.179 -27.330 239 HD13 LEU 29 HD13 LEU 29 21.032 6.854 -26.187 240 HD21 LEU 29 HD21 LEU 29 24.297 6.329 -26.722 241 HD22 LEU 29 HD22 LEU 29 22.996 6.841 -25.647 242 HD23 LEU 29 HD23 LEU 29 23.920 8.043 -26.548 243 H PHE 30 H PHE 30 20.974 3.026 -29.124 244 HA PHE 30 HA PHE 30 18.434 3.880 -28.303 245 HB2 PHE 30 HB2 PHE 30 19.524 1.794 -30.058 246 HB3 PHE 30 HB3 PHE 30 17.971 1.380 -29.339 247 HD1 PHE 30 HD1 PHE 30 19.678 4.140 -31.162 248 HD2 PHE 30 HD2 PHE 30 16.027 2.114 -30.339 249 HE1 PHE 30 HE1 PHE 30 18.536 5.520 -32.849 250 HE2 PHE 30 HE2 PHE 30 14.879 3.489 -32.026 251 HZ PHE 30 HZ PHE 30 16.134 5.195 -33.283 252 H SER 31 H SER 31 20.622 1.697 -26.861 253 HA SER 31 HA SER 31 18.753 1.161 -24.721 254 HB2 SER 31 HB2 SER 31 18.581 -1.139 -24.917 255 HB3 SER 31 HB3 SER 31 18.578 -0.665 -26.615 256 HG SER 31 HG SER 31 20.673 -1.298 -26.801 257 H GLN 32 H GLN 32 21.325 2.530 -25.140 258 HA GLN 32 HA GLN 32 22.715 1.378 -22.874 259 HB2 GLN 32 HB2 GLN 32 23.582 0.760 -25.468 260 HB3 GLN 32 HB3 GLN 32 24.688 2.001 -24.893 261 HG2 GLN 32 HG2 GLN 32 25.560 -0.185 -24.386 262 HG3 GLN 32 HG3 GLN 32 25.142 0.658 -22.895 263 HE21 GLN 32 HE21 GLN 32 23.562 -1.450 -25.278 264 HE22 GLN 32 HE22 GLN 32 22.782 -2.463 -24.117 265 H ASP 33 H ASP 33 24.850 2.808 -22.561 266 HA ASP 33 HA ASP 33 23.950 5.604 -22.768 267 HB2 ASP 33 HB2 ASP 33 25.496 4.126 -20.662 268 HB3 ASP 33 HB3 ASP 33 25.664 5.872 -20.819 269 H VAL 34 H VAL 34 25.055 6.861 -24.102 270 HA VAL 34 HA VAL 34 27.238 6.088 -25.615 271 HB VAL 34 HB VAL 34 25.910 7.973 -26.295 272 HG11 VAL 34 HG11 VAL 34 25.164 9.414 -24.779 273 HG12 VAL 34 HG12 VAL 34 26.313 8.815 -23.581 274 HG13 VAL 34 HG13 VAL 34 26.784 10.103 -24.690 275 HG21 VAL 34 HG21 VAL 34 28.357 9.495 -25.795 276 HG22 VAL 34 HG22 VAL 34 28.638 7.877 -26.438 277 HG23 VAL 34 HG23 VAL 34 27.613 9.011 -27.319 278 H LEU 35 H LEU 35 27.136 7.405 -22.399 279 HA LEU 35 HA LEU 35 29.752 8.363 -22.165 280 HB2 LEU 35 HB2 LEU 35 27.592 8.211 -20.523 281 HB3 LEU 35 HB3 LEU 35 28.658 7.010 -19.797 282 HG LEU 35 HG LEU 35 29.186 9.953 -20.167 283 HD11 LEU 35 HD11 LEU 35 28.486 10.139 -18.075 284 HD12 LEU 35 HD12 LEU 35 29.655 8.928 -17.549 285 HD13 LEU 35 HD13 LEU 35 28.050 8.430 -18.082 286 HD21 LEU 35 HD21 LEU 35 31.054 7.748 -19.315 287 HD22 LEU 35 HD22 LEU 35 31.357 9.463 -19.034 288 HD23 LEU 35 HD23 LEU 35 31.239 8.847 -20.683 289 H LEU 36 H LEU 36 28.532 5.144 -22.319 290 HA LEU 36 HA LEU 36 31.067 4.030 -21.358 291 HB2 LEU 36 HB2 LEU 36 28.399 2.771 -21.957 292 HB3 LEU 36 HB3 LEU 36 29.841 1.843 -21.552 293 HG LEU 36 HG LEU 36 29.873 3.232 -19.385 294 HD11 LEU 36 HD11 LEU 36 27.536 4.291 -20.665 295 HD12 LEU 36 HD12 LEU 36 28.317 4.795 -19.166 296 HD13 LEU 36 HD13 LEU 36 27.096 3.522 -19.139 297 HD21 LEU 36 HD21 LEU 36 28.877 1.488 -18.327 298 HD22 LEU 36 HD22 LEU 36 29.005 0.771 -19.934 299 HD23 LEU 36 HD23 LEU 36 27.481 1.485 -19.405 300 H GLN 37 H GLN 37 31.084 5.398 -23.829 301 HA GLN 37 HA GLN 37 31.444 3.183 -25.737 302 HB2 GLN 37 HB2 GLN 37 30.931 6.104 -26.323 303 HB3 GLN 37 HB3 GLN 37 31.146 4.839 -27.526 304 HG2 GLN 37 HG2 GLN 37 28.926 4.926 -25.496 305 HG3 GLN 37 HG3 GLN 37 28.791 5.455 -27.172 306 HE21 GLN 37 HE21 GLN 37 27.276 3.406 -25.858 307 HE22 GLN 37 HE22 GLN 37 27.586 1.929 -26.700 308 H TYR 38 H TYR 38 32.667 6.520 -25.557 309 HA TYR 38 HA TYR 38 35.389 5.582 -25.243 310 HB2 TYR 38 HB2 TYR 38 34.343 6.728 -27.802 311 HB3 TYR 38 HB3 TYR 38 35.995 7.088 -27.313 312 HD1 TYR 38 HD1 TYR 38 37.661 5.285 -27.147 313 HD2 TYR 38 HD2 TYR 38 33.718 4.534 -28.558 314 HE1 TYR 38 HE1 TYR 38 38.410 3.135 -28.077 315 HE2 TYR 38 HE2 TYR 38 34.456 2.382 -29.492 316 HH TYR 38 HH TYR 38 36.328 0.722 -29.033 317 HA PRO 39 HA PRO 39 35.848 9.403 -23.130 318 HB2 PRO 39 HB2 PRO 39 38.502 9.864 -23.470 319 HB3 PRO 39 HB3 PRO 39 37.875 8.609 -22.394 320 HG2 PRO 39 HG2 PRO 39 38.936 8.357 -25.182 321 HG3 PRO 39 HG3 PRO 39 39.231 7.319 -23.774 322 HD2 PRO 39 HD2 PRO 39 37.464 6.668 -25.720 323 HD3 PRO 39 HD3 PRO 39 37.231 6.200 -24.024 324 H GLU 40 H GLU 40 34.512 10.414 -24.914 325 HA GLU 40 HA GLU 40 35.752 12.789 -25.794 326 HB2 GLU 40 HB2 GLU 40 35.518 12.409 -28.255 327 HB3 GLU 40 HB3 GLU 40 36.794 11.465 -27.498 328 HG2 GLU 40 HG2 GLU 40 34.754 9.719 -27.332 329 HG3 GLU 40 HG3 GLU 40 34.304 10.592 -28.797 330 H LEU 41 H LEU 41 33.119 10.491 -26.195 331 HA LEU 41 HA LEU 41 31.271 12.685 -26.797 332 HB2 LEU 41 HB2 LEU 41 29.653 10.804 -27.230 333 HB3 LEU 41 HB3 LEU 41 31.022 10.922 -28.333 334 HG LEU 41 HG LEU 41 30.261 8.597 -27.477 335 HD11 LEU 41 HD11 LEU 41 32.204 7.916 -28.318 336 HD12 LEU 41 HD12 LEU 41 33.122 8.681 -27.021 337 HD13 LEU 41 HD13 LEU 41 32.645 9.620 -28.435 338 HD21 LEU 41 HD21 LEU 41 31.295 7.880 -25.412 339 HD22 LEU 41 HD22 LEU 41 30.221 9.243 -25.097 340 HD23 LEU 41 HD23 LEU 41 31.966 9.492 -25.154 341 H ALA 42 H ALA 42 32.511 11.576 -24.119 342 HA ALA 42 HA ALA 42 30.235 10.819 -22.567 343 HB1 ALA 42 HB1 ALA 42 32.422 10.079 -21.893 344 HB2 ALA 42 HB2 ALA 42 32.982 11.745 -21.739 345 HB3 ALA 42 HB3 ALA 42 31.757 11.121 -20.634 346 H GLU 43 H GLU 43 31.643 13.826 -23.524 347 HA GLU 43 HA GLU 43 30.597 15.442 -21.435 348 HB2 GLU 43 HB2 GLU 43 32.468 16.138 -22.899 349 HB3 GLU 43 HB3 GLU 43 31.351 16.236 -24.253 350 HG2 GLU 43 HG2 GLU 43 30.564 18.227 -23.619 351 HG3 GLU 43 HG3 GLU 43 30.522 17.779 -21.915 352 H SER 44 H SER 44 29.328 14.258 -24.466 353 HA SER 44 HA SER 44 27.067 16.022 -24.516 354 HB2 SER 44 HB2 SER 44 26.449 14.947 -26.492 355 HB3 SER 44 HB3 SER 44 28.201 14.748 -26.491 356 HG SER 44 HG SER 44 27.924 12.650 -25.729 357 H TYR 45 H TYR 45 27.782 12.893 -23.174 358 HA TYR 45 HA TYR 45 25.192 11.900 -22.822 359 HB2 TYR 45 HB2 TYR 45 27.047 10.436 -22.469 360 HB3 TYR 45 HB3 TYR 45 27.722 11.485 -21.227 361 HD1 TYR 45 HD1 TYR 45 25.128 9.001 -21.984 362 HD2 TYR 45 HD2 TYR 45 26.860 11.455 -18.970 363 HE1 TYR 45 HE1 TYR 45 23.939 7.712 -20.259 364 HE2 TYR 45 HE2 TYR 45 25.677 10.171 -17.237 365 HH TYR 45 HH TYR 45 24.351 8.444 -16.808 366 H THR 46 H THR 46 27.003 14.292 -21.045 367 HA THR 46 HA THR 46 25.638 14.358 -18.636 368 HB THR 46 HB THR 46 26.320 16.690 -18.428 369 HG1 THR 46 HG1 THR 46 27.467 17.574 -20.349 370 HG21 THR 46 HG21 THR 46 28.662 15.627 -19.872 371 HG22 THR 46 HG22 THR 46 27.993 14.575 -18.625 372 HG23 THR 46 HG23 THR 46 28.520 16.207 -18.212 373 H LYS 47 H LYS 47 24.833 15.963 -21.694 374 HA LYS 47 HA LYS 47 22.557 17.334 -20.722 375 HB2 LYS 47 HB2 LYS 47 23.652 18.036 -22.768 376 HB3 LYS 47 HB3 LYS 47 23.306 16.487 -23.525 377 HG2 LYS 47 HG2 LYS 47 21.029 18.112 -22.520 378 HG3 LYS 47 HG3 LYS 47 21.837 18.610 -24.008 379 HD2 LYS 47 HD2 LYS 47 21.265 15.750 -23.906 380 HD3 LYS 47 HD3 LYS 47 19.817 16.755 -23.818 381 HE2 LYS 47 HE2 LYS 47 21.962 17.125 -25.898 382 HE3 LYS 47 HE3 LYS 47 20.558 16.086 -26.136 383 HZ1 LYS 47 HZ1 LYS 47 20.466 18.503 -26.957 384 HZ2 LYS 47 HZ2 LYS 47 20.211 18.901 -25.332 385 HZ3 LYS 47 HZ3 LYS 47 19.125 17.881 -26.134 386 H VAL 48 H VAL 48 23.099 14.071 -21.700 387 HA VAL 48 HA VAL 48 20.200 13.552 -21.702 388 HB VAL 48 HB VAL 48 22.234 11.564 -22.654 389 HG11 VAL 48 HG11 VAL 48 20.471 10.436 -23.491 390 HG12 VAL 48 HG12 VAL 48 19.565 11.368 -22.296 391 HG13 VAL 48 HG13 VAL 48 19.625 11.906 -23.975 392 HG21 VAL 48 HG21 VAL 48 21.960 12.450 -24.937 393 HG22 VAL 48 HG22 VAL 48 21.059 13.817 -24.281 394 HG23 VAL 48 HG23 VAL 48 22.759 13.599 -23.864 395 H CYS 49 H CYS 49 21.752 13.909 -19.294 396 HA CYS 49 HA CYS 49 22.669 11.675 -18.020 397 HB2 CYS 49 HB2 CYS 49 21.479 14.209 -17.190 398 HB3 CYS 49 HB3 CYS 49 21.180 12.912 -16.039 399 HG CYS 49 HG CYS 49 24.029 12.274 -16.011 400 HA PRO 50 HA PRO 50 18.222 10.422 -16.631 401 HB2 PRO 50 HB2 PRO 50 16.136 11.760 -17.738 402 HB3 PRO 50 HB3 PRO 50 16.935 12.286 -16.252 403 HG2 PRO 50 HG2 PRO 50 17.305 13.274 -19.053 404 HG3 PRO 50 HG3 PRO 50 17.185 14.201 -17.547 405 HD2 PRO 50 HD2 PRO 50 19.554 13.670 -18.746 406 HD3 PRO 50 HD3 PRO 50 19.386 13.812 -16.984 407 H ASN 51 H ASN 51 19.185 8.820 -18.162 408 HA ASN 51 HA ASN 51 18.670 8.572 -20.839 409 HB2 ASN 51 HB2 ASN 51 20.005 7.014 -19.299 410 HB3 ASN 51 HB3 ASN 51 18.472 6.211 -18.974 411 HD21 ASN 51 HD21 ASN 51 20.398 7.357 -21.724 412 HD22 ASN 51 HD22 ASN 51 20.095 5.983 -22.727 413 H ARG 52 H ARG 52 17.061 7.571 -22.093 414 HA ARG 52 HA ARG 52 14.466 7.194 -20.756 415 HB2 ARG 52 HB2 ARG 52 14.655 8.359 -23.516 416 HB3 ARG 52 HB3 ARG 52 13.321 8.435 -22.374 417 HG2 ARG 52 HG2 ARG 52 14.079 10.552 -22.150 418 HG3 ARG 52 HG3 ARG 52 15.124 9.778 -20.958 419 HD2 ARG 52 HD2 ARG 52 16.877 10.549 -22.084 420 HD3 ARG 52 HD3 ARG 52 16.431 9.481 -23.414 421 HE ARG 52 HE ARG 52 15.713 11.309 -24.584 422 HH11 ARG 52 HH11 ARG 52 15.998 12.160 -21.220 423 HH12 ARG 52 HH12 ARG 52 15.700 13.846 -21.487 424 HH21 ARG 52 HH21 ARG 52 15.320 13.526 -24.948 425 HH22 ARG 52 HH22 ARG 52 15.314 14.622 -23.608 426 H CYS 53 H CYS 53 16.542 5.295 -21.663 427 HA CYS 53 HA CYS 53 15.339 3.983 -23.959 428 HB2 CYS 53 HB2 CYS 53 17.704 3.163 -22.259 429 HB3 CYS 53 HB3 CYS 53 17.208 2.400 -23.765 430 HG CYS 53 HG CYS 53 17.663 5.648 -24.194 431 H ASP 54 H ASP 54 16.497 2.578 -20.908 432 HA ASP 54 HA ASP 54 14.087 1.729 -19.855 433 HB2 ASP 54 HB2 ASP 54 14.935 0.159 -22.158 434 HB3 ASP 54 HB3 ASP 54 14.742 -0.830 -20.714 435 H LEU 55 H LEU 55 16.878 -0.348 -20.572 436 HA LEU 55 HA LEU 55 17.240 -1.032 -17.838 437 HB2 LEU 55 HB2 LEU 55 19.342 -2.102 -18.659 438 HB3 LEU 55 HB3 LEU 55 17.870 -2.624 -19.474 439 HG LEU 55 HG LEU 55 19.301 -0.427 -20.803 440 HD11 LEU 55 HD11 LEU 55 21.079 -1.780 -21.676 441 HD12 LEU 55 HD12 LEU 55 20.515 -3.185 -20.771 442 HD13 LEU 55 HD13 LEU 55 21.173 -1.791 -19.915 443 HD21 LEU 55 HD21 LEU 55 18.439 -1.371 -22.685 444 HD22 LEU 55 HD22 LEU 55 17.295 -2.017 -21.509 445 HD23 LEU 55 HD23 LEU 55 18.628 -3.019 -22.083 446 H ALA 56 H ALA 56 18.793 1.255 -20.017 447 HA ALA 56 HA ALA 56 20.928 1.953 -18.283 448 HB1 ALA 56 HB1 ALA 56 21.511 2.703 -20.316 449 HB2 ALA 56 HB2 ALA 56 19.837 2.917 -20.829 450 HB3 ALA 56 HB3 ALA 56 20.623 4.153 -19.847 451 H THR 57 H THR 57 17.613 2.978 -18.561 452 HA THR 57 HA THR 57 17.934 5.359 -16.982 453 HB THR 57 HB THR 57 15.390 3.879 -17.680 454 HG1 THR 57 HG1 THR 57 16.342 4.549 -19.580 455 HG21 THR 57 HG21 THR 57 14.225 5.533 -16.699 456 HG22 THR 57 HG22 THR 57 15.326 6.782 -17.279 457 HG23 THR 57 HG23 THR 57 15.722 5.862 -15.827 458 H ALA 58 H ALA 58 16.501 2.149 -16.422 459 HA ALA 58 HA ALA 58 15.823 2.591 -13.721 460 HB1 ALA 58 HB1 ALA 58 16.013 -0.038 -13.716 461 HB2 ALA 58 HB2 ALA 58 14.705 0.786 -14.566 462 HB3 ALA 58 HB3 ALA 58 16.105 0.197 -15.462 463 H ALA 59 H ALA 59 18.658 1.051 -15.214 464 HA ALA 59 HA ALA 59 19.962 0.351 -12.826 465 HB1 ALA 59 HB1 ALA 59 21.081 0.934 -15.563 466 HB2 ALA 59 HB2 ALA 59 22.008 0.239 -14.233 467 HB3 ALA 59 HB3 ALA 59 20.635 -0.640 -14.904 468 H ASP 60 H ASP 60 19.981 3.312 -14.733 469 HA ASP 60 HA ASP 60 22.097 4.568 -13.303 470 HB2 ASP 60 HB2 ASP 60 20.006 5.488 -15.240 471 HB3 ASP 60 HB3 ASP 60 20.935 6.684 -14.340 472 H ARG 61 H ARG 61 18.580 4.584 -13.010 473 HA ARG 61 HA ARG 61 18.262 6.637 -11.173 474 HB2 ARG 61 HB2 ARG 61 16.680 4.483 -12.202 475 HB3 ARG 61 HB3 ARG 61 16.450 4.576 -10.461 476 HG2 ARG 61 HG2 ARG 61 14.781 5.914 -11.511 477 HG3 ARG 61 HG3 ARG 61 15.932 6.994 -10.722 478 HD2 ARG 61 HD2 ARG 61 16.539 6.320 -13.522 479 HD3 ARG 61 HD3 ARG 61 15.077 7.274 -13.274 480 HE ARG 61 HE ARG 61 17.800 8.134 -12.895 481 HH11 ARG 61 HH11 ARG 61 14.461 8.700 -12.090 482 HH12 ARG 61 HH12 ARG 61 14.704 10.369 -11.693 483 HH21 ARG 61 HH21 ARG 61 18.134 10.329 -12.375 484 HH22 ARG 61 HH22 ARG 61 16.794 11.295 -11.856 485 H ALA 62 H ALA 62 19.049 3.231 -10.620 486 HA ALA 62 HA ALA 62 19.056 3.481 -7.764 487 HB1 ALA 62 HB1 ALA 62 19.134 1.254 -7.789 488 HB2 ALA 62 HB2 ALA 62 18.983 1.370 -9.543 489 HB3 ALA 62 HB3 ALA 62 20.578 1.238 -8.803 490 H ALA 63 H ALA 63 21.589 3.188 -10.246 491 HA ALA 63 HA ALA 63 23.803 3.269 -8.554 492 HB1 ALA 63 HB1 ALA 63 24.952 4.277 -10.631 493 HB2 ALA 63 HB2 ALA 63 24.265 2.656 -10.746 494 HB3 ALA 63 HB3 ALA 63 23.394 4.033 -11.420 495 H LYS 64 H LYS 64 21.727 5.823 -9.707 496 HA LYS 64 HA LYS 64 23.383 8.032 -9.215 497 HB2 LYS 64 HB2 LYS 64 20.407 7.653 -9.319 498 HB3 LYS 64 HB3 LYS 64 21.088 9.207 -8.857 499 HG2 LYS 64 HG2 LYS 64 22.393 8.300 -11.222 500 HG3 LYS 64 HG3 LYS 64 20.645 8.191 -11.448 501 HD2 LYS 64 HD2 LYS 64 21.072 10.362 -12.111 502 HD3 LYS 64 HD3 LYS 64 20.640 10.584 -10.413 503 HE2 LYS 64 HE2 LYS 64 22.666 11.370 -9.910 504 HE3 LYS 64 HE3 LYS 64 23.470 10.051 -10.759 505 HZ1 LYS 64 HZ1 LYS 64 22.303 11.860 -12.602 506 HZ2 LYS 64 HZ2 LYS 64 23.921 11.392 -12.446 507 HZ3 LYS 64 HZ3 LYS 64 23.326 12.691 -11.542 508 H GLY 65 H GLY 65 21.825 5.878 -7.059 509 HA2 GLY 65 HA2 GLY 65 22.760 6.019 -4.753 510 HA3 GLY 65 HA3 GLY 65 22.365 7.730 -4.819 511 H ALA 66 H ALA 66 20.074 5.757 -6.356 512 HA ALA 66 HA ALA 66 17.877 5.347 -5.898 513 HB1 ALA 66 HB1 ALA 66 18.693 3.501 -4.673 514 HB2 ALA 66 HB2 ALA 66 19.195 4.521 -3.325 515 HB3 ALA 66 HB3 ALA 66 17.480 4.266 -3.647 516 H TYR 67 H TYR 67 17.806 7.832 -6.021 517 HA TYR 67 HA TYR 67 17.622 9.506 -3.845 518 HB2 TYR 67 HB2 TYR 67 16.839 9.582 -6.603 519 HB3 TYR 67 HB3 TYR 67 15.561 10.290 -5.622 520 HD1 TYR 67 HD1 TYR 67 16.084 12.231 -4.139 521 HD2 TYR 67 HD2 TYR 67 18.892 10.722 -6.957 522 HE1 TYR 67 HE1 TYR 67 17.358 14.329 -3.984 523 HE2 TYR 67 HE2 TYR 67 20.175 12.815 -6.808 524 HH TYR 67 HH TYR 67 20.477 14.703 -5.530 525 H GLY 68 H GLY 68 16.578 8.957 -2.021 526 HA2 GLY 68 HA2 GLY 68 14.120 7.500 -1.994 527 HA3 GLY 68 HA3 GLY 68 14.897 8.255 -0.610 528 H TYR 69 H TYR 69 12.865 8.963 0.158 529 HA TYR 69 HA TYR 69 11.153 10.434 0.437 530 HB2 TYR 69 HB2 TYR 69 13.276 11.949 0.100 531 HB3 TYR 69 HB3 TYR 69 12.486 12.372 -1.415 532 HD1 TYR 69 HD1 TYR 69 11.349 11.881 2.119 533 HD2 TYR 69 HD2 TYR 69 11.400 14.396 -1.312 534 HE1 TYR 69 HE1 TYR 69 9.958 13.523 3.309 535 HE2 TYR 69 HE2 TYR 69 10.011 16.046 -0.131 536 HH TYR 69 HH TYR 69 9.528 16.016 3.169 537 H ASP 70 H ASP 70 9.649 9.153 -0.702 538 HA ASP 70 HA ASP 70 8.778 10.369 -3.221 539 HB2 ASP 70 HB2 ASP 70 10.079 7.954 -3.214 540 HB3 ASP 70 HB3 ASP 70 8.390 7.460 -3.128 541 H VAL 71 H VAL 71 6.721 10.948 -3.081 542 HA VAL 71 HA VAL 71 5.094 10.354 -0.863 543 HB VAL 71 HB VAL 71 4.869 12.368 -2.348 544 HG11 VAL 71 HG11 VAL 71 4.788 10.659 -4.406 545 HG12 VAL 71 HG12 VAL 71 3.056 10.875 -4.144 546 HG13 VAL 71 HG13 VAL 71 4.081 12.273 -4.469 547 HG21 VAL 71 HG21 VAL 71 3.160 12.067 -0.771 548 HG22 VAL 71 HG22 VAL 71 2.314 12.296 -2.302 549 HG23 VAL 71 HG23 VAL 71 2.494 10.676 -1.627 550 H GLN 72 H GLN 72 5.585 8.731 -3.880 551 HA GLN 72 HA GLN 72 4.231 6.406 -3.052 552 HB2 GLN 72 HB2 GLN 72 2.269 7.910 -3.538 553 HB3 GLN 72 HB3 GLN 72 2.781 7.926 -5.221 554 HG2 GLN 72 HG2 GLN 72 2.690 5.239 -4.585 555 HG3 GLN 72 HG3 GLN 72 1.298 5.924 -3.748 556 HE21 GLN 72 HE21 GLN 72 2.851 6.719 -6.832 557 HE22 GLN 72 HE22 GLN 72 1.435 6.509 -7.798 558 H LEU 73 H LEU 73 6.739 6.871 -4.053 559 HA LEU 73 HA LEU 73 8.245 6.234 -5.640 560 HB2 LEU 73 HB2 LEU 73 6.088 4.233 -6.297 561 HB3 LEU 73 HB3 LEU 73 7.790 4.108 -6.740 562 HG LEU 73 HG LEU 73 7.603 2.665 -4.936 563 HD11 LEU 73 HD11 LEU 73 8.246 5.041 -3.280 564 HD12 LEU 73 HD12 LEU 73 9.249 4.727 -4.696 565 HD13 LEU 73 HD13 LEU 73 9.094 3.502 -3.437 566 HD21 LEU 73 HD21 LEU 73 5.258 3.630 -4.395 567 HD22 LEU 73 HD22 LEU 73 6.127 4.634 -3.234 568 HD23 LEU 73 HD23 LEU 73 6.199 2.876 -3.107 569 H THR 74 H THR 74 6.495 8.355 -6.402 570 HA THR 74 HA THR 74 5.502 7.998 -9.035 571 HB THR 74 HB THR 74 6.335 10.597 -7.733 572 HG1 THR 74 HG1 THR 74 4.570 10.446 -6.572 573 HG21 THR 74 HG21 THR 74 4.274 11.274 -9.255 574 HG22 THR 74 HG22 THR 74 4.803 9.869 -10.179 575 HG23 THR 74 HG23 THR 74 5.914 11.210 -9.899 576 H THR 75 H THR 75 8.645 8.567 -7.760 577 HA THR 75 HA THR 75 9.882 9.887 -9.892 578 HB THR 75 HB THR 75 11.999 8.951 -9.056 579 HG1 THR 75 HG1 THR 75 11.652 6.937 -8.361 580 HG21 THR 75 HG21 THR 75 11.329 9.524 -6.475 581 HG22 THR 75 HG22 THR 75 10.013 10.292 -7.361 582 HG23 THR 75 HG23 THR 75 11.685 10.730 -7.712 583 H LEU 76 H LEU 76 9.628 6.395 -9.238 584 HA LEU 76 HA LEU 76 10.832 5.703 -11.755 585 HB2 LEU 76 HB2 LEU 76 10.158 4.378 -9.322 586 HB3 LEU 76 HB3 LEU 76 9.437 3.493 -10.665 587 HG LEU 76 HG LEU 76 12.264 4.223 -11.029 588 HD11 LEU 76 HD11 LEU 76 12.950 2.253 -9.593 589 HD12 LEU 76 HD12 LEU 76 11.366 2.382 -8.830 590 HD13 LEU 76 HD13 LEU 76 12.500 3.729 -8.739 591 HD21 LEU 76 HD21 LEU 76 10.854 2.786 -12.537 592 HD22 LEU 76 HD22 LEU 76 10.868 1.567 -11.263 593 HD23 LEU 76 HD23 LEU 76 12.380 2.069 -12.019 594 H LYS 77 H LYS 77 7.570 5.813 -10.422 595 HA LYS 77 HA LYS 77 6.241 4.552 -12.556 596 HB2 LYS 77 HB2 LYS 77 5.521 5.708 -10.116 597 HB3 LYS 77 HB3 LYS 77 4.657 6.648 -11.326 598 HG2 LYS 77 HG2 LYS 77 3.109 5.048 -11.164 599 HG3 LYS 77 HG3 LYS 77 4.199 4.107 -12.185 600 HD2 LYS 77 HD2 LYS 77 4.641 4.068 -9.243 601 HD3 LYS 77 HD3 LYS 77 3.275 3.159 -9.893 602 HE2 LYS 77 HE2 LYS 77 5.042 1.623 -9.853 603 HE3 LYS 77 HE3 LYS 77 4.952 2.151 -11.533 604 HZ1 LYS 77 HZ1 LYS 77 6.960 3.102 -11.422 605 HZ2 LYS 77 HZ2 LYS 77 7.197 2.120 -10.065 606 HZ3 LYS 77 HZ3 LYS 77 6.710 3.728 -9.870 607 H GLU 78 H GLU 78 7.358 7.833 -12.092 608 HA GLU 78 HA GLU 78 5.922 8.859 -14.376 609 HB2 GLU 78 HB2 GLU 78 6.403 10.288 -12.427 610 HB3 GLU 78 HB3 GLU 78 8.126 10.117 -12.733 611 HG2 GLU 78 HG2 GLU 78 8.037 11.896 -14.035 612 HG3 GLU 78 HG3 GLU 78 6.987 11.008 -15.137 613 H ASP 79 H ASP 79 9.099 7.603 -13.673 614 HA ASP 79 HA ASP 79 10.331 8.532 -16.080 615 HB2 ASP 79 HB2 ASP 79 11.088 6.861 -13.780 616 HB3 ASP 79 HB3 ASP 79 11.856 6.399 -15.296 617 H ILE 80 H ILE 80 8.513 5.706 -15.149 618 HA ILE 80 HA ILE 80 9.222 4.188 -17.493 619 HB ILE 80 HB ILE 80 8.653 3.019 -15.428 620 HG12 ILE 80 HG12 ILE 80 7.077 1.391 -16.363 621 HG13 ILE 80 HG13 ILE 80 6.586 2.554 -17.590 622 HG21 ILE 80 HG21 ILE 80 5.887 4.161 -15.798 623 HG22 ILE 80 HG22 ILE 80 6.375 3.001 -14.564 624 HG23 ILE 80 HG23 ILE 80 7.039 4.635 -14.550 625 HD11 ILE 80 HD11 ILE 80 8.840 2.516 -18.524 626 HD12 ILE 80 HD12 ILE 80 9.326 1.346 -17.297 627 HD13 ILE 80 HD13 ILE 80 8.114 0.909 -18.502 628 H ARG 81 H ARG 81 6.550 6.227 -16.457 629 HA ARG 81 HA ARG 81 4.909 5.613 -18.733 630 HB2 ARG 81 HB2 ARG 81 3.360 7.168 -17.853 631 HB3 ARG 81 HB3 ARG 81 4.081 6.380 -16.456 632 HG2 ARG 81 HG2 ARG 81 5.633 8.335 -16.266 633 HG3 ARG 81 HG3 ARG 81 4.675 9.129 -17.518 634 HD2 ARG 81 HD2 ARG 81 3.470 8.053 -14.981 635 HD3 ARG 81 HD3 ARG 81 4.097 9.696 -15.115 636 HE ARG 81 HE ARG 81 2.322 9.287 -17.225 637 HH11 ARG 81 HH11 ARG 81 2.269 9.466 -13.748 638 HH12 ARG 81 HH12 ARG 81 0.644 10.061 -13.673 639 HH21 ARG 81 HH21 ARG 81 0.182 10.071 -17.139 640 HH22 ARG 81 HH22 ARG 81 -0.543 10.404 -15.603 641 H LEU 82 H LEU 82 7.261 8.061 -17.883 642 HA LEU 82 HA LEU 82 6.651 9.845 -20.017 643 HB2 LEU 82 HB2 LEU 82 7.891 10.389 -17.884 644 HB3 LEU 82 HB3 LEU 82 9.288 9.580 -18.592 645 HG LEU 82 HG LEU 82 9.273 12.096 -18.733 646 HD11 LEU 82 HD11 LEU 82 9.328 11.064 -21.511 647 HD12 LEU 82 HD12 LEU 82 10.394 10.301 -20.333 648 HD13 LEU 82 HD13 LEU 82 10.513 12.034 -20.636 649 HD21 LEU 82 HD21 LEU 82 7.861 13.208 -20.249 650 HD22 LEU 82 HD22 LEU 82 6.798 12.156 -19.314 651 HD23 LEU 82 HD23 LEU 82 7.280 11.695 -20.947 652 H MET 83 H MET 83 8.936 7.189 -19.596 653 HA MET 83 HA MET 83 10.303 7.583 -22.053 654 HB2 MET 83 HB2 MET 83 10.192 5.477 -19.971 655 HB3 MET 83 HB3 MET 83 10.725 4.968 -21.568 656 HG2 MET 83 HG2 MET 83 12.552 5.616 -20.004 657 HG3 MET 83 HG3 MET 83 12.547 6.480 -21.539 658 HE1 MET 83 HE1 MET 83 13.945 6.999 -18.701 659 HE2 MET 83 HE2 MET 83 13.406 8.465 -17.882 660 HE3 MET 83 HE3 MET 83 12.554 6.944 -17.617 661 H VAL 84 H VAL 84 7.815 5.223 -21.075 662 HA VAL 84 HA VAL 84 7.478 3.937 -23.500 663 HB VAL 84 HB VAL 84 6.412 3.179 -21.425 664 HG11 VAL 84 HG11 VAL 84 5.738 5.376 -20.569 665 HG12 VAL 84 HG12 VAL 84 4.511 5.486 -21.833 666 HG13 VAL 84 HG13 VAL 84 4.389 4.241 -20.590 667 HG21 VAL 84 HG21 VAL 84 5.247 3.225 -24.013 668 HG22 VAL 84 HG22 VAL 84 5.082 2.001 -22.755 669 HG23 VAL 84 HG23 VAL 84 3.948 3.349 -22.828 670 H ASN 85 H ASN 85 6.202 7.023 -22.419 671 HA ASN 85 HA ASN 85 4.305 7.397 -24.471 672 HB2 ASN 85 HB2 ASN 85 5.665 9.131 -22.478 673 HB3 ASN 85 HB3 ASN 85 4.938 9.933 -23.867 674 HD21 ASN 85 HD21 ASN 85 4.301 9.666 -20.893 675 HD22 ASN 85 HD22 ASN 85 2.614 9.291 -20.875 676 H ASN 86 H ASN 86 7.687 8.444 -24.170 677 HA ASN 86 HA ASN 86 7.731 9.651 -26.768 678 HB2 ASN 86 HB2 ASN 86 9.270 9.957 -24.568 679 HB3 ASN 86 HB3 ASN 86 10.292 8.868 -25.502 680 HD21 ASN 86 HD21 ASN 86 8.232 11.687 -26.161 681 HD22 ASN 86 HD22 ASN 86 9.405 12.531 -27.108 682 H CYS 87 H CYS 87 8.146 6.475 -25.554 683 HA CYS 87 HA CYS 87 9.882 5.405 -27.493 684 HB2 CYS 87 HB2 CYS 87 9.149 4.326 -25.313 685 HB3 CYS 87 HB3 CYS 87 7.648 3.902 -26.128 686 HG CYS 87 HG CYS 87 9.634 1.764 -25.896 687 H ILE 88 H ILE 88 6.362 4.865 -27.286 688 HA ILE 88 HA ILE 88 6.139 3.964 -29.954 689 HB ILE 88 HB ILE 88 3.713 4.184 -29.651 690 HG12 ILE 88 HG12 ILE 88 3.174 4.864 -27.114 691 HG13 ILE 88 HG13 ILE 88 4.593 5.873 -27.368 692 HG21 ILE 88 HG21 ILE 88 3.763 2.260 -28.543 693 HG22 ILE 88 HG22 ILE 88 5.467 2.562 -28.204 694 HG23 ILE 88 HG23 ILE 88 4.234 3.071 -27.050 695 HD11 ILE 88 HD11 ILE 88 3.428 7.336 -28.551 696 HD12 ILE 88 HD12 ILE 88 2.758 6.073 -29.582 697 HD13 ILE 88 HD13 ILE 88 1.977 6.468 -28.051 698 H LEU 89 H LEU 89 5.959 7.125 -28.488 699 HA LEU 89 HA LEU 89 4.726 8.453 -30.680 700 HB2 LEU 89 HB2 LEU 89 4.761 9.330 -28.373 701 HB3 LEU 89 HB3 LEU 89 6.499 9.588 -28.521 702 HG LEU 89 HG LEU 89 5.015 10.913 -30.636 703 HD11 LEU 89 HD11 LEU 89 3.222 11.320 -29.246 704 HD12 LEU 89 HD12 LEU 89 4.250 12.716 -28.928 705 HD13 LEU 89 HD13 LEU 89 4.221 11.367 -27.793 706 HD21 LEU 89 HD21 LEU 89 7.361 11.338 -30.062 707 HD22 LEU 89 HD22 LEU 89 6.861 11.928 -28.477 708 HD23 LEU 89 HD23 LEU 89 6.379 12.799 -29.933 709 H PHE 90 H PHE 90 8.056 8.884 -29.481 710 HA PHE 90 HA PHE 90 9.054 10.063 -31.795 711 HB2 PHE 90 HB2 PHE 90 10.090 9.763 -29.395 712 HB3 PHE 90 HB3 PHE 90 10.827 8.335 -30.113 713 HD1 PHE 90 HD1 PHE 90 10.343 11.960 -30.848 714 HD2 PHE 90 HD2 PHE 90 12.892 8.559 -31.088 715 HE1 PHE 90 HE1 PHE 90 12.123 13.365 -31.802 716 HE2 PHE 90 HE2 PHE 90 14.676 9.960 -32.041 717 HZ PHE 90 HZ PHE 90 14.293 12.366 -32.399 718 H ASN 91 H ASN 91 9.607 6.701 -30.729 719 HA ASN 91 HA ASN 91 9.023 5.498 -33.177 720 HB2 ASN 91 HB2 ASN 91 11.561 6.812 -33.160 721 HB3 ASN 91 HB3 ASN 91 11.836 5.073 -33.212 722 HD21 ASN 91 HD21 ASN 91 10.091 3.996 -34.752 723 HD22 ASN 91 HD22 ASN 91 10.030 4.708 -36.325 724 H GLY 92 H GLY 92 8.223 3.756 -32.151 725 HA2 GLY 92 HA2 GLY 92 10.116 1.958 -30.873 726 HA3 GLY 92 HA3 GLY 92 8.823 2.551 -29.841 727 H ALA 93 H ALA 93 6.581 2.203 -30.671 728 HA ALA 93 HA ALA 93 6.400 -0.503 -31.770 729 HB1 ALA 93 HB1 ALA 93 3.983 -0.287 -30.997 730 HB2 ALA 93 HB2 ALA 93 5.225 -0.338 -29.745 731 HB3 ALA 93 HB3 ALA 93 4.491 1.200 -30.197 732 H GLU 94 H GLU 94 4.320 2.384 -32.022 733 HA GLU 94 HA GLU 94 3.178 3.285 -33.772 734 HB2 GLU 94 HB2 GLU 94 5.780 3.112 -34.571 735 HB3 GLU 94 HB3 GLU 94 4.971 2.218 -35.850 736 HG2 GLU 94 HG2 GLU 94 3.893 4.871 -35.045 737 HG3 GLU 94 HG3 GLU 94 5.349 4.798 -36.036 738 H GLY 95 H GLY 95 2.871 0.357 -33.005 739 HA2 GLY 95 HA2 GLY 95 0.747 -0.316 -34.631 740 HA3 GLY 95 HA3 GLY 95 2.157 -1.045 -35.385 741 H ALA 96 H ALA 96 3.445 -1.432 -32.731 742 HA ALA 96 HA ALA 96 1.791 -3.687 -31.796 743 HB1 ALA 96 HB1 ALA 96 3.906 -4.257 -33.094 744 HB2 ALA 96 HB2 ALA 96 4.793 -3.658 -31.692 745 HB3 ALA 96 HB3 ALA 96 3.698 -5.030 -31.522 746 H TYR 97 H TYR 97 1.148 -1.572 -30.487 747 HA TYR 97 HA TYR 97 2.725 -0.525 -28.480 748 HB2 TYR 97 HB2 TYR 97 0.684 0.107 -27.360 749 HB3 TYR 97 HB3 TYR 97 0.436 0.258 -29.095 750 HD1 TYR 97 HD1 TYR 97 -0.907 -1.470 -30.298 751 HD2 TYR 97 HD2 TYR 97 -0.627 -1.383 -26.053 752 HE1 TYR 97 HE1 TYR 97 -2.895 -2.911 -30.143 753 HE2 TYR 97 HE2 TYR 97 -2.613 -2.824 -25.887 754 HH TYR 97 HH TYR 97 -4.409 -3.818 -28.774 755 H ALA 98 H ALA 98 1.166 -3.633 -28.654 756 HA ALA 98 HA ALA 98 1.115 -4.386 -25.984 757 HB1 ALA 98 HB1 ALA 98 0.877 -5.679 -28.521 758 HB2 ALA 98 HB2 ALA 98 1.875 -6.665 -27.452 759 HB3 ALA 98 HB3 ALA 98 0.254 -6.186 -26.950 760 H ASP 99 H ASP 99 3.808 -4.077 -28.161 761 HA ASP 99 HA ASP 99 5.675 -5.662 -26.755 762 HB2 ASP 99 HB2 ASP 99 6.083 -3.296 -28.593 763 HB3 ASP 99 HB3 ASP 99 7.384 -4.325 -28.000 764 H ALA 100 H ALA 100 4.673 -2.307 -26.446 765 HA ALA 100 HA ALA 100 6.715 -1.669 -24.515 766 HB1 ALA 100 HB1 ALA 100 6.142 0.453 -24.896 767 HB2 ALA 100 HB2 ALA 100 5.123 -0.178 -26.190 768 HB3 ALA 100 HB3 ALA 100 4.433 0.136 -24.598 769 H ALA 101 H ALA 101 3.521 -2.970 -24.463 770 HA ALA 101 HA ALA 101 2.857 -2.252 -21.785 771 HB1 ALA 101 HB1 ALA 101 1.745 -4.554 -23.377 772 HB2 ALA 101 HB2 ALA 101 0.991 -3.721 -22.017 773 HB3 ALA 101 HB3 ALA 101 1.207 -2.883 -23.554 774 H ARG 102 H ARG 102 4.571 -4.913 -23.273 775 HA ARG 102 HA ARG 102 4.505 -6.728 -21.131 776 HB2 ARG 102 HB2 ARG 102 5.442 -6.855 -23.647 777 HB3 ARG 102 HB3 ARG 102 6.959 -6.610 -22.792 778 HG2 ARG 102 HG2 ARG 102 4.976 -8.808 -22.240 779 HG3 ARG 102 HG3 ARG 102 6.479 -8.977 -23.150 780 HD2 ARG 102 HD2 ARG 102 7.373 -7.837 -20.852 781 HD3 ARG 102 HD3 ARG 102 6.027 -8.806 -20.253 782 HE ARG 102 HE ARG 102 7.235 -10.702 -20.698 783 HH11 ARG 102 HH11 ARG 102 8.718 -7.990 -22.299 784 HH12 ARG 102 HH12 ARG 102 10.132 -8.873 -22.769 785 HH21 ARG 102 HH21 ARG 102 9.092 -11.877 -21.312 786 HH22 ARG 102 HH22 ARG 102 10.343 -11.085 -22.208 787 H THR 103 H THR 103 6.996 -4.346 -22.035 788 HA THR 103 HA THR 103 8.686 -4.815 -19.841 789 HB THR 103 HB THR 103 9.523 -3.621 -21.763 790 HG1 THR 103 HG1 THR 103 10.275 -3.067 -19.549 791 HG21 THR 103 HG21 THR 103 8.789 -1.352 -22.308 792 HG22 THR 103 HG22 THR 103 7.586 -1.424 -21.022 793 HG23 THR 103 HG23 THR 103 7.448 -2.490 -22.420 794 H PHE 104 H PHE 104 5.911 -2.696 -20.259 795 HA PHE 104 HA PHE 104 6.224 -1.125 -17.960 796 HB2 PHE 104 HB2 PHE 104 4.634 -0.503 -19.673 797 HB3 PHE 104 HB3 PHE 104 3.716 -1.983 -19.414 798 HD1 PHE 104 HD1 PHE 104 4.696 1.225 -17.862 799 HD2 PHE 104 HD2 PHE 104 2.051 -2.108 -17.763 800 HE1 PHE 104 HE1 PHE 104 3.299 2.388 -16.205 801 HE2 PHE 104 HE2 PHE 104 0.648 -0.950 -16.106 802 HZ PHE 104 HZ PHE 104 1.272 1.300 -15.323 803 H GLU 105 H GLU 105 4.320 -4.096 -18.439 804 HA GLU 105 HA GLU 105 3.296 -4.372 -15.888 805 HB2 GLU 105 HB2 GLU 105 3.927 -6.240 -18.104 806 HB3 GLU 105 HB3 GLU 105 3.677 -6.958 -16.519 807 HG2 GLU 105 HG2 GLU 105 1.482 -5.954 -16.372 808 HG3 GLU 105 HG3 GLU 105 1.730 -5.136 -17.914 809 H LYS 106 H LYS 106 6.431 -5.448 -17.138 810 HA LYS 106 HA LYS 106 7.339 -6.853 -14.921 811 HB2 LYS 106 HB2 LYS 106 8.400 -6.495 -17.277 812 HB3 LYS 106 HB3 LYS 106 9.195 -5.121 -16.520 813 HG2 LYS 106 HG2 LYS 106 10.790 -6.647 -16.092 814 HG3 LYS 106 HG3 LYS 106 9.758 -7.017 -14.708 815 HD2 LYS 106 HD2 LYS 106 8.736 -8.492 -16.872 816 HD3 LYS 106 HD3 LYS 106 10.490 -8.684 -16.928 817 HE2 LYS 106 HE2 LYS 106 10.576 -9.706 -14.865 818 HE3 LYS 106 HE3 LYS 106 9.075 -8.963 -14.317 819 HZ1 LYS 106 HZ1 LYS 106 9.465 -11.341 -15.992 820 HZ2 LYS 106 HZ2 LYS 106 8.061 -10.420 -16.201 821 HZ3 LYS 106 HZ3 LYS 106 8.409 -11.103 -14.693 822 H PHE 107 H PHE 107 7.665 -3.393 -15.658 823 HA PHE 107 HA PHE 107 9.207 -2.598 -13.514 824 HB2 PHE 107 HB2 PHE 107 7.280 -1.300 -15.318 825 HB3 PHE 107 HB3 PHE 107 7.483 -0.490 -13.768 826 HD1 PHE 107 HD1 PHE 107 9.712 -2.149 -16.265 827 HD2 PHE 107 HD2 PHE 107 8.973 1.241 -13.799 828 HE1 PHE 107 HE1 PHE 107 11.781 -1.102 -17.089 829 HE2 PHE 107 HE2 PHE 107 11.040 2.293 -14.619 830 HZ PHE 107 HZ PHE 107 12.448 1.121 -16.265 831 H ALA 108 H ALA 108 5.678 -2.950 -13.654 832 HA ALA 108 HA ALA 108 5.101 -2.054 -11.068 833 HB1 ALA 108 HB1 ALA 108 3.469 -2.500 -12.942 834 HB2 ALA 108 HB2 ALA 108 3.567 -4.206 -12.504 835 HB3 ALA 108 HB3 ALA 108 2.964 -3.030 -11.337 836 H MET 109 H MET 109 5.977 -5.265 -12.260 837 HA MET 109 HA MET 109 5.503 -6.717 -9.918 838 HB2 MET 109 HB2 MET 109 5.986 -7.709 -12.147 839 HB3 MET 109 HB3 MET 109 7.666 -7.221 -11.969 840 HG2 MET 109 HG2 MET 109 7.859 -9.348 -11.243 841 HG3 MET 109 HG3 MET 109 7.420 -8.593 -9.712 842 HE1 MET 109 HE1 MET 109 5.616 -11.386 -12.455 843 HE2 MET 109 HE2 MET 109 7.240 -11.195 -11.792 844 HE3 MET 109 HE3 MET 109 6.065 -12.216 -10.964 845 H GLY 110 H GLY 110 8.439 -5.050 -11.029 846 HA2 GLY 110 HA2 GLY 110 10.132 -5.803 -8.937 847 HA3 GLY 110 HA3 GLY 110 10.294 -4.333 -9.886 848 H LYS 111 H LYS 111 7.976 -2.994 -9.193 849 HA LYS 111 HA LYS 111 8.684 -1.653 -6.889 850 HB2 LYS 111 HB2 LYS 111 7.043 -0.891 -8.634 851 HB3 LYS 111 HB3 LYS 111 5.854 -1.960 -7.901 852 HG2 LYS 111 HG2 LYS 111 5.277 -0.264 -6.598 853 HG3 LYS 111 HG3 LYS 111 6.830 -0.457 -5.782 854 HD2 LYS 111 HD2 LYS 111 6.405 1.251 -8.230 855 HD3 LYS 111 HD3 LYS 111 6.367 1.865 -6.575 856 HE2 LYS 111 HE2 LYS 111 8.557 2.244 -6.939 857 HE3 LYS 111 HE3 LYS 111 8.715 0.531 -6.552 858 HZ1 LYS 111 HZ1 LYS 111 8.107 0.669 -9.246 859 HZ2 LYS 111 HZ2 LYS 111 9.593 0.256 -8.550 860 HZ3 LYS 111 HZ3 LYS 111 9.279 1.860 -8.982 861 H ILE 112 H ILE 112 6.299 -4.264 -7.243 862 HA ILE 112 HA ILE 112 5.383 -4.365 -4.626 863 HB ILE 112 HB ILE 112 5.788 -6.702 -6.496 864 HG12 ILE 112 HG12 ILE 112 3.315 -5.022 -6.047 865 HG13 ILE 112 HG13 ILE 112 4.419 -4.805 -7.401 866 HG21 ILE 112 HG21 ILE 112 4.759 -6.506 -3.800 867 HG22 ILE 112 HG22 ILE 112 3.556 -7.154 -4.913 868 HG23 ILE 112 HG23 ILE 112 5.130 -7.935 -4.764 869 HD11 ILE 112 HD11 ILE 112 3.629 -7.546 -7.240 870 HD12 ILE 112 HD12 ILE 112 2.203 -6.509 -7.235 871 HD13 ILE 112 HD13 ILE 112 3.380 -6.384 -8.542 872 H ASP 113 H ASP 113 8.118 -6.108 -6.085 873 HA ASP 113 HA ASP 113 8.913 -7.605 -3.900 874 HB2 ASP 113 HB2 ASP 113 10.456 -6.383 -6.174 875 HB3 ASP 113 HB3 ASP 113 11.269 -7.321 -4.926 876 H ALA 114 H ALA 114 9.728 -4.257 -4.709 877 HA ALA 114 HA ALA 114 11.582 -3.807 -2.653 878 HB1 ALA 114 HB1 ALA 114 11.694 -2.082 -4.105 879 HB2 ALA 114 HB2 ALA 114 9.967 -2.125 -4.460 880 HB3 ALA 114 HB3 ALA 114 10.544 -1.351 -2.985 881 H TYR 115 H TYR 115 8.068 -3.310 -2.753 882 HA TYR 115 HA TYR 115 7.678 -2.095 -0.310 883 HB2 TYR 115 HB2 TYR 115 5.873 -2.430 -1.920 884 HB3 TYR 115 HB3 TYR 115 5.926 -4.168 -1.648 885 HD1 TYR 115 HD1 TYR 115 5.708 -1.104 0.494 886 HD2 TYR 115 HD2 TYR 115 4.178 -4.974 -0.393 887 HE1 TYR 115 HE1 TYR 115 4.065 -0.864 2.308 888 HE2 TYR 115 HE2 TYR 115 2.530 -4.744 1.419 889 HH TYR 115 HH TYR 115 1.395 -2.806 2.639 890 H ILE 116 H ILE 116 8.114 -5.526 -1.018 891 HA ILE 116 HA ILE 116 7.588 -6.450 1.613 892 HB ILE 116 HB ILE 116 9.283 -7.796 -0.492 893 HG12 ILE 116 HG12 ILE 116 7.101 -7.239 -1.422 894 HG13 ILE 116 HG13 ILE 116 7.202 -8.972 -1.130 895 HG21 ILE 116 HG21 ILE 116 8.117 -8.634 2.106 896 HG22 ILE 116 HG22 ILE 116 8.152 -9.813 0.796 897 HG23 ILE 116 HG23 ILE 116 9.652 -9.075 1.358 898 HD11 ILE 116 HD11 ILE 116 5.957 -8.625 0.986 899 HD12 ILE 116 HD12 ILE 116 5.753 -6.932 0.536 900 HD13 ILE 116 HD13 ILE 116 5.045 -8.201 -0.463 901 H SER 117 H SER 117 10.497 -5.401 -0.063 902 HA SER 117 HA SER 117 12.374 -6.280 1.846 903 HB2 SER 117 HB2 SER 117 12.433 -4.868 -0.602 904 HB3 SER 117 HB3 SER 117 13.253 -3.851 0.582 905 HG SER 117 HG SER 117 14.666 -5.514 1.010 906 H GLN 118 H GLN 118 10.601 -3.241 1.490 907 HA GLN 118 HA GLN 118 11.681 -2.350 4.074 908 HB2 GLN 118 HB2 GLN 118 10.737 -0.108 3.376 909 HB3 GLN 118 HB3 GLN 118 12.083 -0.704 2.414 910 HG2 GLN 118 HG2 GLN 118 9.614 -1.596 1.276 911 HG3 GLN 118 HG3 GLN 118 9.568 0.149 1.523 912 HE21 GLN 118 HE21 GLN 118 12.289 -1.968 0.748 913 HE22 GLN 118 HE22 GLN 118 12.688 -1.202 -0.748 914 H LYS 119 H LYS 119 10.103 -4.064 4.888 915 HA LYS 119 HA LYS 119 7.455 -2.827 5.271 916 HB2 LYS 119 HB2 LYS 119 7.971 -5.282 4.125 917 HB3 LYS 119 HB3 LYS 119 7.607 -5.703 5.793 918 HG2 LYS 119 HG2 LYS 119 5.470 -4.590 5.650 919 HG3 LYS 119 HG3 LYS 119 5.839 -4.035 4.015 920 HD2 LYS 119 HD2 LYS 119 5.609 -6.151 3.106 921 HD3 LYS 119 HD3 LYS 119 5.910 -6.957 4.647 922 HE2 LYS 119 HE2 LYS 119 3.532 -5.229 4.579 923 HE3 LYS 119 HE3 LYS 119 3.460 -6.641 3.525 924 HZ1 LYS 119 HZ1 LYS 119 2.641 -7.465 5.488 925 HZ2 LYS 119 HZ2 LYS 119 3.659 -6.522 6.456 926 HZ3 LYS 119 HZ3 LYS 119 4.278 -7.868 5.639 927 H VAL 120 H VAL 120 10.307 -3.981 6.729 928 HA VAL 120 HA VAL 120 9.316 -4.679 9.287 929 HB VAL 120 HB VAL 120 12.032 -3.836 8.309 930 HG11 VAL 120 HG11 VAL 120 11.178 -4.427 11.135 931 HG12 VAL 120 HG12 VAL 120 12.855 -4.508 10.590 932 HG13 VAL 120 HG13 VAL 120 11.978 -2.979 10.524 933 HG21 VAL 120 HG21 VAL 120 11.022 -6.436 9.458 934 HG22 VAL 120 HG22 VAL 120 11.190 -6.085 7.738 935 HG23 VAL 120 HG23 VAL 120 12.618 -6.137 8.771 936 H GLY 121 H GLY 121 10.430 -1.638 7.876 937 HA2 GLY 121 HA2 GLY 121 8.862 -0.003 9.493 938 HA3 GLY 121 HA3 GLY 121 10.426 -0.140 10.281 939 H GLY 122 H GLY 122 9.203 0.355 6.961 940 HA2 GLY 122 HA2 GLY 122 10.476 2.915 6.761 941 HA3 GLY 122 HA3 GLY 122 11.356 1.670 5.888 942 H LEU 123 H LEU 123 7.904 1.472 6.179 943 HA LEU 123 HA LEU 123 7.111 2.933 3.939 944 HB2 LEU 123 HB2 LEU 123 8.610 0.772 3.159 945 HB3 LEU 123 HB3 LEU 123 6.963 0.157 3.037 946 HG LEU 123 HG LEU 123 7.743 1.018 0.899 947 HD11 LEU 123 HD11 LEU 123 5.568 2.580 2.265 948 HD12 LEU 123 HD12 LEU 123 5.410 1.180 1.205 949 HD13 LEU 123 HD13 LEU 123 5.920 2.733 0.544 950 HD21 LEU 123 HD21 LEU 123 8.001 3.671 2.312 951 HD22 LEU 123 HD22 LEU 123 8.232 3.378 0.588 952 HD23 LEU 123 HD23 LEU 123 9.342 2.667 1.759 953 H GLU 124 H GLU 124 6.644 0.074 5.920 954 HA GLU 124 HA GLU 124 4.794 -0.877 6.841 955 HB2 GLU 124 HB2 GLU 124 4.050 2.001 6.584 956 HB3 GLU 124 HB3 GLU 124 2.795 0.854 7.030 957 HG2 GLU 124 HG2 GLU 124 4.348 0.079 8.871 958 HG3 GLU 124 HG3 GLU 124 5.325 1.501 8.508 Start of MODEL 11 1 H1 MET 1 H1 MET 1 0.018 0.876 1.780 2 HA MET 1 HA MET 1 -0.198 1.039 -1.146 3 HB2 MET 1 HB2 MET 1 -1.656 3.018 -0.911 4 HB3 MET 1 HB3 MET 1 -2.398 1.560 -0.266 5 HG2 MET 1 HG2 MET 1 -0.939 2.923 1.794 6 HG3 MET 1 HG3 MET 1 -2.068 4.025 1.008 7 HE1 MET 1 HE1 MET 1 -3.399 2.355 4.514 8 HE2 MET 1 HE2 MET 1 -1.863 1.646 4.015 9 HE3 MET 1 HE3 MET 1 -2.098 3.392 3.928 10 H SER 2 H SER 2 2.200 1.110 0.195 11 HA SER 2 HA SER 2 4.115 2.319 0.418 12 HB2 SER 2 HB2 SER 2 2.987 4.610 -1.124 13 HB3 SER 2 HB3 SER 2 4.565 3.833 -1.257 14 HG SER 2 HG SER 2 3.177 1.961 -2.045 15 H GLN 3 H GLN 3 4.861 4.781 0.881 16 HA GLN 3 HA GLN 3 3.015 5.988 2.807 17 HB2 GLN 3 HB2 GLN 3 5.055 4.354 3.649 18 HB3 GLN 3 HB3 GLN 3 5.799 5.945 3.730 19 HG2 GLN 3 HG2 GLN 3 3.421 4.902 5.213 20 HG3 GLN 3 HG3 GLN 3 4.896 5.632 5.845 21 HE21 GLN 3 HE21 GLN 3 5.234 7.947 5.096 22 HE22 GLN 3 HE22 GLN 3 3.846 8.974 5.142 23 H ASN 4 H ASN 4 2.766 8.014 2.157 24 HA ASN 4 HA ASN 4 4.681 9.357 0.515 25 HB2 ASN 4 HB2 ASN 4 3.113 11.336 0.884 26 HB3 ASN 4 HB3 ASN 4 2.414 9.914 0.116 27 HD21 ASN 4 HD21 ASN 4 0.373 10.775 0.793 28 HD22 ASN 4 HD22 ASN 4 -0.180 10.514 2.409 29 H ARG 5 H ARG 5 6.527 9.190 1.968 30 HA ARG 5 HA ARG 5 6.910 11.604 3.445 31 HB2 ARG 5 HB2 ARG 5 5.712 10.311 5.148 32 HB3 ARG 5 HB3 ARG 5 6.872 9.001 4.981 33 HG2 ARG 5 HG2 ARG 5 8.653 10.598 5.711 34 HG3 ARG 5 HG3 ARG 5 7.372 11.760 6.065 35 HD2 ARG 5 HD2 ARG 5 6.912 10.767 8.003 36 HD3 ARG 5 HD3 ARG 5 6.779 9.190 7.226 37 HE ARG 5 HE ARG 5 8.868 8.694 7.994 38 HH11 ARG 5 HH11 ARG 5 8.450 12.150 8.051 39 HH12 ARG 5 HH12 ARG 5 9.959 12.450 8.847 40 HH21 ARG 5 HH21 ARG 5 10.858 9.077 9.043 41 HH22 ARG 5 HH22 ARG 5 11.328 10.702 9.410 42 H GLN 6 H GLN 6 8.342 8.391 3.935 43 HA GLN 6 HA GLN 6 10.768 9.312 2.561 44 HB2 GLN 6 HB2 GLN 6 12.168 8.870 4.319 45 HB3 GLN 6 HB3 GLN 6 10.737 9.375 5.207 46 HG2 GLN 6 HG2 GLN 6 11.614 6.547 4.672 47 HG3 GLN 6 HG3 GLN 6 11.681 7.402 6.212 48 HE21 GLN 6 HE21 GLN 6 10.199 4.968 5.047 49 HE22 GLN 6 HE22 GLN 6 8.577 5.195 5.598 50 H LEU 7 H LEU 7 12.140 7.616 1.780 51 HA LEU 7 HA LEU 7 10.674 5.103 1.336 52 HB2 LEU 7 HB2 LEU 7 12.316 6.827 -0.379 53 HB3 LEU 7 HB3 LEU 7 12.658 5.104 -0.530 54 HG LEU 7 HG LEU 7 10.952 6.195 -2.132 55 HD11 LEU 7 HD11 LEU 7 10.818 3.608 -0.702 56 HD12 LEU 7 HD12 LEU 7 11.031 3.949 -2.419 57 HD13 LEU 7 HD13 LEU 7 9.428 4.056 -1.692 58 HD21 LEU 7 HD21 LEU 7 9.752 7.198 -0.051 59 HD22 LEU 7 HD22 LEU 7 8.996 5.608 0.048 60 HD23 LEU 7 HD23 LEU 7 8.798 6.589 -1.404 61 H LEU 8 H LEU 8 11.494 3.265 2.102 62 HA LEU 8 HA LEU 8 13.590 3.120 3.883 63 HB2 LEU 8 HB2 LEU 8 11.738 1.407 3.244 64 HB3 LEU 8 HB3 LEU 8 12.951 0.787 2.126 65 HG LEU 8 HG LEU 8 12.870 -0.486 4.222 66 HD11 LEU 8 HD11 LEU 8 14.968 -0.254 2.922 67 HD12 LEU 8 HD12 LEU 8 15.233 -0.526 4.644 68 HD13 LEU 8 HD13 LEU 8 15.425 1.091 3.968 69 HD21 LEU 8 HD21 LEU 8 12.784 0.465 6.231 70 HD22 LEU 8 HD22 LEU 8 12.577 2.010 5.407 71 HD23 LEU 8 HD23 LEU 8 14.188 1.476 5.887 72 H TYR 9 H TYR 9 13.737 1.719 0.606 73 HA TYR 9 HA TYR 9 16.110 2.960 -0.184 74 HB2 TYR 9 HB2 TYR 9 16.474 0.718 1.633 75 HB3 TYR 9 HB3 TYR 9 17.274 0.446 0.089 76 HD1 TYR 9 HD1 TYR 9 18.371 2.903 -0.740 77 HD2 TYR 9 HD2 TYR 9 17.947 1.455 3.238 78 HE1 TYR 9 HE1 TYR 9 20.240 4.333 -0.027 79 HE2 TYR 9 HE2 TYR 9 19.815 2.882 3.963 80 HH TYR 9 HH TYR 9 22.017 4.062 2.206 81 HA PRO 10 HA PRO 10 13.760 0.571 -3.373 82 HB2 PRO 10 HB2 PRO 10 13.610 2.637 -5.128 83 HB3 PRO 10 HB3 PRO 10 12.438 2.394 -3.828 84 HG2 PRO 10 HG2 PRO 10 14.792 4.240 -3.934 85 HG3 PRO 10 HG3 PRO 10 13.154 4.549 -3.330 86 HD2 PRO 10 HD2 PRO 10 15.234 4.002 -1.685 87 HD3 PRO 10 HD3 PRO 10 13.568 3.517 -1.311 88 H ARG 11 H ARG 11 15.050 -0.742 -4.494 89 HA ARG 11 HA ARG 11 16.720 0.138 -6.572 90 HB2 ARG 11 HB2 ARG 11 18.898 -0.744 -5.513 91 HB3 ARG 11 HB3 ARG 11 18.350 0.865 -5.064 92 HG2 ARG 11 HG2 ARG 11 17.849 0.254 -2.929 93 HG3 ARG 11 HG3 ARG 11 17.485 -1.414 -3.375 94 HD2 ARG 11 HD2 ARG 11 20.069 -1.441 -3.943 95 HD3 ARG 11 HD3 ARG 11 20.096 -0.129 -2.765 96 HE ARG 11 HE ARG 11 18.662 -2.382 -1.785 97 HH11 ARG 11 HH11 ARG 11 21.871 -1.148 -2.334 98 HH12 ARG 11 HH12 ARG 11 22.593 -2.100 -1.079 99 HH21 ARG 11 HH21 ARG 11 19.601 -3.639 -0.130 100 HH22 ARG 11 HH22 ARG 11 21.301 -3.517 0.174 101 H GLU 12 H GLU 12 16.028 -2.383 -4.211 102 HA GLU 12 HA GLU 12 17.087 -4.592 -5.501 103 HB2 GLU 12 HB2 GLU 12 15.607 -4.204 -3.244 104 HB3 GLU 12 HB3 GLU 12 14.446 -5.031 -4.273 105 HG2 GLU 12 HG2 GLU 12 15.851 -6.922 -4.495 106 HG3 GLU 12 HG3 GLU 12 17.217 -6.074 -3.772 107 H GLU 13 H GLU 13 14.238 -2.741 -6.250 108 HA GLU 13 HA GLU 13 13.217 -4.720 -8.106 109 HB2 GLU 13 HB2 GLU 13 12.200 -1.910 -7.990 110 HB3 GLU 13 HB3 GLU 13 11.321 -3.402 -8.291 111 HG2 GLU 13 HG2 GLU 13 10.608 -3.191 -6.194 112 HG3 GLU 13 HG3 GLU 13 12.208 -3.776 -5.740 113 H MET 14 H MET 14 14.951 -1.664 -8.187 114 HA MET 14 HA MET 14 14.751 -0.981 -10.848 115 HB2 MET 14 HB2 MET 14 17.165 -0.753 -9.044 116 HB3 MET 14 HB3 MET 14 16.981 0.083 -10.581 117 HG2 MET 14 HG2 MET 14 14.825 0.449 -8.595 118 HG3 MET 14 HG3 MET 14 16.382 1.192 -8.236 119 HE1 MET 14 HE1 MET 14 13.351 0.915 -10.385 120 HE2 MET 14 HE2 MET 14 13.397 2.284 -11.496 121 HE3 MET 14 HE3 MET 14 14.358 0.844 -11.832 122 H VAL 15 H VAL 15 16.817 -3.408 -9.348 123 HA VAL 15 HA VAL 15 18.283 -3.998 -11.733 124 HB VAL 15 HB VAL 15 19.059 -6.009 -10.486 125 HG11 VAL 15 HG11 VAL 15 20.551 -4.819 -9.214 126 HG12 VAL 15 HG12 VAL 15 19.926 -3.539 -10.255 127 HG13 VAL 15 HG13 VAL 15 19.320 -3.712 -8.608 128 HG21 VAL 15 HG21 VAL 15 16.966 -6.342 -9.195 129 HG22 VAL 15 HG22 VAL 15 18.415 -6.345 -8.189 130 HG23 VAL 15 HG23 VAL 15 17.374 -4.922 -8.232 131 H SER 16 H SER 16 15.330 -5.143 -10.278 132 HA SER 16 HA SER 16 15.037 -7.599 -11.558 133 HB2 SER 16 HB2 SER 16 12.849 -5.624 -10.862 134 HB3 SER 16 HB3 SER 16 12.636 -7.350 -11.152 135 HG SER 16 HG SER 16 12.761 -6.938 -8.933 136 H LEU 17 H LEU 17 13.998 -4.372 -12.624 137 HA LEU 17 HA LEU 17 12.719 -5.041 -14.973 138 HB2 LEU 17 HB2 LEU 17 14.490 -2.654 -14.464 139 HB3 LEU 17 HB3 LEU 17 13.321 -2.798 -15.775 140 HG LEU 17 HG LEU 17 12.050 -1.590 -14.349 141 HD11 LEU 17 HD11 LEU 17 11.686 -4.271 -13.028 142 HD12 LEU 17 HD12 LEU 17 10.982 -3.825 -14.582 143 HD13 LEU 17 HD13 LEU 17 10.517 -2.954 -13.121 144 HD21 LEU 17 HD21 LEU 17 14.050 -2.439 -12.425 145 HD22 LEU 17 HD22 LEU 17 12.433 -2.358 -11.723 146 HD23 LEU 17 HD23 LEU 17 13.125 -0.939 -12.509 147 H VAL 18 H VAL 18 16.161 -4.168 -14.625 148 HA VAL 18 HA VAL 18 16.987 -4.553 -17.222 149 HB VAL 18 HB VAL 18 18.378 -4.867 -14.595 150 HG11 VAL 18 HG11 VAL 18 19.485 -5.661 -17.277 151 HG12 VAL 18 HG12 VAL 18 20.509 -5.227 -15.907 152 HG13 VAL 18 HG13 VAL 18 19.425 -6.615 -15.796 153 HG21 VAL 18 HG21 VAL 18 19.692 -2.997 -15.426 154 HG22 VAL 18 HG22 VAL 18 18.873 -3.094 -16.985 155 HG23 VAL 18 HG23 VAL 18 17.970 -2.636 -15.541 156 H ARG 19 H ARG 19 16.656 -6.980 -14.661 157 HA ARG 19 HA ARG 19 17.711 -9.156 -16.089 158 HB2 ARG 19 HB2 ARG 19 15.562 -9.258 -13.968 159 HB3 ARG 19 HB3 ARG 19 16.649 -10.560 -14.432 160 HG2 ARG 19 HG2 ARG 19 18.264 -8.363 -13.719 161 HG3 ARG 19 HG3 ARG 19 17.018 -8.519 -12.479 162 HD2 ARG 19 HD2 ARG 19 18.653 -10.846 -13.462 163 HD3 ARG 19 HD3 ARG 19 19.147 -9.836 -12.104 164 HE ARG 19 HE ARG 19 16.548 -10.678 -11.600 165 HH11 ARG 19 HH11 ARG 19 19.707 -12.088 -11.990 166 HH12 ARG 19 HH12 ARG 19 19.380 -13.430 -10.943 167 HH21 ARG 19 HH21 ARG 19 16.106 -12.439 -10.220 168 HH22 ARG 19 HH22 ARG 19 17.331 -13.629 -9.938 169 H SER 20 H SER 20 14.566 -7.650 -16.113 170 HA SER 20 HA SER 20 13.146 -9.758 -17.368 171 HB2 SER 20 HB2 SER 20 11.353 -8.336 -17.353 172 HB3 SER 20 HB3 SER 20 12.366 -7.475 -16.195 173 HG SER 20 HG SER 20 13.178 -6.327 -18.143 174 H LEU 21 H LEU 21 15.018 -7.038 -18.580 175 HA LEU 21 HA LEU 21 14.421 -7.813 -21.340 176 HB2 LEU 21 HB2 LEU 21 15.403 -5.720 -21.991 177 HB3 LEU 21 HB3 LEU 21 14.225 -5.442 -20.711 178 HG LEU 21 HG LEU 21 16.796 -5.757 -19.521 179 HD11 LEU 21 HD11 LEU 21 18.213 -4.412 -20.650 180 HD12 LEU 21 HD12 LEU 21 16.923 -3.377 -21.260 181 HD13 LEU 21 HD13 LEU 21 17.247 -4.929 -22.032 182 HD21 LEU 21 HD21 LEU 21 15.334 -4.497 -18.300 183 HD22 LEU 21 HD22 LEU 21 14.663 -3.695 -19.720 184 HD23 LEU 21 HD23 LEU 21 16.240 -3.210 -19.097 185 H ASP 22 H ASP 22 16.209 -7.933 -22.889 186 HA ASP 22 HA ASP 22 18.899 -8.092 -22.254 187 HB2 ASP 22 HB2 ASP 22 17.414 -10.368 -21.303 188 HB3 ASP 22 HB3 ASP 22 18.554 -10.876 -22.546 189 H ARG 23 H ARG 23 18.920 -7.143 -24.314 190 HA ARG 23 HA ARG 23 19.426 -8.887 -26.457 191 HB2 ARG 23 HB2 ARG 23 16.802 -8.831 -26.187 192 HB3 ARG 23 HB3 ARG 23 16.961 -7.302 -27.041 193 HG2 ARG 23 HG2 ARG 23 16.938 -8.446 -28.935 194 HG3 ARG 23 HG3 ARG 23 18.513 -9.107 -28.491 195 HD2 ARG 23 HD2 ARG 23 15.824 -10.291 -27.806 196 HD3 ARG 23 HD3 ARG 23 16.939 -10.887 -29.035 197 HE ARG 23 HE ARG 23 18.062 -10.748 -26.386 198 HH11 ARG 23 HH11 ARG 23 16.281 -12.689 -28.663 199 HH12 ARG 23 HH12 ARG 23 16.714 -14.192 -27.919 200 HH21 ARG 23 HH21 ARG 23 18.640 -12.721 -25.398 201 HH22 ARG 23 HH22 ARG 23 18.055 -14.210 -26.061 202 HA PRO 24 HA PRO 24 20.956 -4.477 -26.669 203 HB2 PRO 24 HB2 PRO 24 23.592 -5.124 -26.727 204 HB3 PRO 24 HB3 PRO 24 22.695 -4.884 -25.223 205 HG2 PRO 24 HG2 PRO 24 23.421 -7.437 -26.609 206 HG3 PRO 24 HG3 PRO 24 23.490 -7.042 -24.881 207 HD2 PRO 24 HD2 PRO 24 21.471 -8.482 -25.968 208 HD3 PRO 24 HD3 PRO 24 21.232 -7.399 -24.582 209 H GLN 25 H GLN 25 19.879 -4.864 -28.812 210 HA GLN 25 HA GLN 25 21.303 -6.060 -30.951 211 HB2 GLN 25 HB2 GLN 25 19.072 -4.022 -30.991 212 HB3 GLN 25 HB3 GLN 25 19.653 -4.904 -32.397 213 HG2 GLN 25 HG2 GLN 25 19.106 -6.914 -30.620 214 HG3 GLN 25 HG3 GLN 25 17.839 -5.737 -30.278 215 HE21 GLN 25 HE21 GLN 25 19.478 -7.131 -33.104 216 HE22 GLN 25 HE22 GLN 25 18.040 -7.384 -34.026 217 H GLU 26 H GLU 26 20.801 -2.656 -30.034 218 HA GLU 26 HA GLU 26 22.599 -1.697 -32.056 219 HB2 GLU 26 HB2 GLU 26 20.757 -0.553 -30.123 220 HB3 GLU 26 HB3 GLU 26 22.270 0.340 -30.182 221 HG2 GLU 26 HG2 GLU 26 20.396 1.095 -31.723 222 HG3 GLU 26 HG3 GLU 26 21.999 0.893 -32.429 223 H ASN 27 H ASN 27 22.718 -1.941 -28.509 224 HA ASN 27 HA ASN 27 24.451 -1.828 -27.032 225 HB2 ASN 27 HB2 ASN 27 24.937 -3.981 -28.165 226 HB3 ASN 27 HB3 ASN 27 25.965 -3.124 -29.311 227 HD21 ASN 27 HD21 ASN 27 25.533 -3.170 -25.785 228 HD22 ASN 27 HD22 ASN 27 27.211 -3.345 -25.414 229 H GLY 28 H GLY 28 24.177 0.600 -27.777 230 HA2 GLY 28 HA2 GLY 28 26.850 1.657 -27.897 231 HA3 GLY 28 HA3 GLY 28 25.924 1.973 -29.356 232 H LEU 29 H LEU 29 23.385 2.288 -28.071 233 HA LEU 29 HA LEU 29 23.512 4.253 -26.030 234 HB2 LEU 29 HB2 LEU 29 24.337 5.778 -27.590 235 HB3 LEU 29 HB3 LEU 29 23.308 5.155 -28.878 236 HG LEU 29 HG LEU 29 21.973 6.440 -26.558 237 HD11 LEU 29 HD11 LEU 29 22.531 8.459 -28.470 238 HD12 LEU 29 HD12 LEU 29 24.062 7.748 -27.960 239 HD13 LEU 29 HD13 LEU 29 22.956 8.414 -26.759 240 HD21 LEU 29 HD21 LEU 29 20.459 5.707 -28.137 241 HD22 LEU 29 HD22 LEU 29 21.520 6.097 -29.491 242 HD23 LEU 29 HD23 LEU 29 20.695 7.388 -28.617 243 H PHE 30 H PHE 30 21.733 2.865 -28.730 244 HA PHE 30 HA PHE 30 19.150 3.646 -27.926 245 HB2 PHE 30 HB2 PHE 30 20.312 1.726 -29.833 246 HB3 PHE 30 HB3 PHE 30 18.714 1.290 -29.235 247 HD1 PHE 30 HD1 PHE 30 20.618 4.036 -30.846 248 HD2 PHE 30 HD2 PHE 30 16.804 2.294 -30.110 249 HE1 PHE 30 HE1 PHE 30 19.599 5.599 -32.449 250 HE2 PHE 30 HE2 PHE 30 15.779 3.854 -31.713 251 HZ PHE 30 HZ PHE 30 17.176 5.510 -32.884 252 H SER 31 H SER 31 21.321 1.425 -26.576 253 HA SER 31 HA SER 31 19.329 0.575 -24.649 254 HB2 SER 31 HB2 SER 31 19.778 -1.088 -26.799 255 HB3 SER 31 HB3 SER 31 20.882 -1.731 -25.584 256 HG SER 31 HG SER 31 18.428 -2.326 -25.721 257 H GLN 32 H GLN 32 21.889 2.127 -24.828 258 HA GLN 32 HA GLN 32 23.089 1.031 -22.442 259 HB2 GLN 32 HB2 GLN 32 24.221 0.413 -24.962 260 HB3 GLN 32 HB3 GLN 32 25.278 1.595 -24.204 261 HG2 GLN 32 HG2 GLN 32 26.107 -0.496 -23.558 262 HG3 GLN 32 HG3 GLN 32 25.238 0.119 -22.153 263 HE21 GLN 32 HE21 GLN 32 24.230 -1.540 -25.123 264 HE22 GLN 32 HE22 GLN 32 23.387 -2.820 -24.326 265 H ASP 33 H ASP 33 25.108 2.481 -21.879 266 HA ASP 33 HA ASP 33 24.128 5.214 -21.953 267 HB2 ASP 33 HB2 ASP 33 26.284 3.807 -20.393 268 HB3 ASP 33 HB3 ASP 33 26.143 5.562 -20.385 269 H VAL 34 H VAL 34 24.675 6.440 -23.629 270 HA VAL 34 HA VAL 34 26.714 5.967 -25.452 271 HB VAL 34 HB VAL 34 24.834 7.502 -25.876 272 HG11 VAL 34 HG11 VAL 34 26.311 9.356 -24.010 273 HG12 VAL 34 HG12 VAL 34 24.930 9.805 -25.013 274 HG13 VAL 34 HG13 VAL 34 24.736 8.617 -23.724 275 HG21 VAL 34 HG21 VAL 34 27.570 7.890 -26.585 276 HG22 VAL 34 HG22 VAL 34 26.121 8.230 -27.532 277 HG23 VAL 34 HG23 VAL 34 26.784 9.464 -26.460 278 H LEU 35 H LEU 35 26.798 7.593 -22.369 279 HA LEU 35 HA LEU 35 29.210 9.004 -22.675 280 HB2 LEU 35 HB2 LEU 35 27.333 8.820 -20.735 281 HB3 LEU 35 HB3 LEU 35 28.639 7.884 -20.012 282 HG LEU 35 HG LEU 35 28.657 10.219 -19.273 283 HD11 LEU 35 HD11 LEU 35 31.049 9.991 -21.026 284 HD12 LEU 35 HD12 LEU 35 30.767 8.741 -19.815 285 HD13 LEU 35 HD13 LEU 35 30.931 10.426 -19.320 286 HD21 LEU 35 HD21 LEU 35 27.713 11.078 -21.467 287 HD22 LEU 35 HD22 LEU 35 29.358 10.982 -22.095 288 HD23 LEU 35 HD23 LEU 35 28.996 12.038 -20.729 289 H LEU 36 H LEU 36 28.581 5.665 -22.384 290 HA LEU 36 HA LEU 36 31.312 5.076 -21.508 291 HB2 LEU 36 HB2 LEU 36 28.807 3.451 -21.745 292 HB3 LEU 36 HB3 LEU 36 30.382 2.670 -21.615 293 HG LEU 36 HG LEU 36 29.325 2.730 -19.452 294 HD11 LEU 36 HD11 LEU 36 31.230 3.201 -18.385 295 HD12 LEU 36 HD12 LEU 36 31.246 4.871 -18.951 296 HD13 LEU 36 HD13 LEU 36 31.866 3.584 -19.985 297 HD21 LEU 36 HD21 LEU 36 28.188 5.070 -20.264 298 HD22 LEU 36 HD22 LEU 36 29.406 5.638 -19.120 299 HD23 LEU 36 HD23 LEU 36 28.190 4.467 -18.606 300 H GLN 37 H GLN 37 30.531 6.131 -24.199 301 HA GLN 37 HA GLN 37 31.423 3.894 -25.882 302 HB2 GLN 37 HB2 GLN 37 30.079 6.493 -26.639 303 HB3 GLN 37 HB3 GLN 37 30.607 5.267 -27.784 304 HG2 GLN 37 HG2 GLN 37 28.456 5.021 -25.700 305 HG3 GLN 37 HG3 GLN 37 28.267 5.014 -27.452 306 HE21 GLN 37 HE21 GLN 37 27.408 3.030 -25.533 307 HE22 GLN 37 HE22 GLN 37 28.188 1.552 -25.970 308 H TYR 38 H TYR 38 31.733 7.408 -26.282 309 HA TYR 38 HA TYR 38 34.631 7.224 -26.121 310 HB2 TYR 38 HB2 TYR 38 33.165 7.400 -28.639 311 HB3 TYR 38 HB3 TYR 38 34.318 8.714 -28.435 312 HD1 TYR 38 HD1 TYR 38 34.018 5.011 -28.391 313 HD2 TYR 38 HD2 TYR 38 36.606 8.362 -28.808 314 HE1 TYR 38 HE1 TYR 38 35.841 3.510 -29.080 315 HE2 TYR 38 HE2 TYR 38 38.436 6.871 -29.499 316 HH TYR 38 HH TYR 38 38.590 3.776 -28.955 317 HA PRO 39 HA PRO 39 34.172 11.231 -24.371 318 HB2 PRO 39 HB2 PRO 39 36.668 12.210 -24.798 319 HB3 PRO 39 HB3 PRO 39 36.315 10.975 -23.583 320 HG2 PRO 39 HG2 PRO 39 37.431 10.653 -26.342 321 HG3 PRO 39 HG3 PRO 39 37.928 9.863 -24.835 322 HD2 PRO 39 HD2 PRO 39 36.360 8.640 -26.672 323 HD3 PRO 39 HD3 PRO 39 36.218 8.321 -24.932 324 H GLU 40 H GLU 40 32.684 11.652 -26.313 325 HA GLU 40 HA GLU 40 33.471 14.132 -27.495 326 HB2 GLU 40 HB2 GLU 40 33.128 13.377 -29.861 327 HB3 GLU 40 HB3 GLU 40 34.592 12.764 -29.105 328 HG2 GLU 40 HG2 GLU 40 32.840 10.777 -28.533 329 HG3 GLU 40 HG3 GLU 40 32.233 11.334 -30.092 330 H LEU 41 H LEU 41 31.202 11.430 -27.470 331 HA LEU 41 HA LEU 41 29.006 13.226 -28.180 332 HB2 LEU 41 HB2 LEU 41 27.674 11.082 -28.179 333 HB3 LEU 41 HB3 LEU 41 28.927 11.228 -29.410 334 HG LEU 41 HG LEU 41 28.608 8.979 -28.159 335 HD11 LEU 41 HD11 LEU 41 31.439 9.503 -27.987 336 HD12 LEU 41 HD12 LEU 41 30.747 10.207 -29.448 337 HD13 LEU 41 HD13 LEU 41 30.548 8.486 -29.119 338 HD21 LEU 41 HD21 LEU 41 30.308 10.472 -26.164 339 HD22 LEU 41 HD22 LEU 41 29.897 8.757 -26.123 340 HD23 LEU 41 HD23 LEU 41 28.636 9.971 -25.904 341 H ALA 42 H ALA 42 30.471 13.133 -25.537 342 HA ALA 42 HA ALA 42 28.656 12.085 -23.606 343 HB1 ALA 42 HB1 ALA 42 31.041 12.386 -23.135 344 HB2 ALA 42 HB2 ALA 42 30.841 14.135 -23.253 345 HB3 ALA 42 HB3 ALA 42 30.033 13.239 -21.966 346 H GLU 43 H GLU 43 28.806 15.007 -25.415 347 HA GLU 43 HA GLU 43 27.349 16.673 -23.629 348 HB2 GLU 43 HB2 GLU 43 28.801 17.313 -25.688 349 HB3 GLU 43 HB3 GLU 43 27.332 17.027 -26.610 350 HG2 GLU 43 HG2 GLU 43 26.507 19.000 -26.045 351 HG3 GLU 43 HG3 GLU 43 26.786 18.694 -24.332 352 H SER 44 H SER 44 26.400 14.852 -26.538 353 HA SER 44 HA SER 44 23.683 15.504 -26.492 354 HB2 SER 44 HB2 SER 44 23.385 13.832 -28.107 355 HB3 SER 44 HB3 SER 44 25.076 14.289 -28.314 356 HG SER 44 HG SER 44 25.570 12.483 -26.901 357 H TYR 45 H TYR 45 25.514 13.197 -24.645 358 HA TYR 45 HA TYR 45 23.599 11.408 -23.808 359 HB2 TYR 45 HB2 TYR 45 25.946 11.187 -23.194 360 HB3 TYR 45 HB3 TYR 45 25.843 12.623 -22.182 361 HD1 TYR 45 HD1 TYR 45 23.507 9.732 -22.473 362 HD2 TYR 45 HD2 TYR 45 26.222 11.890 -20.009 363 HE1 TYR 45 HE1 TYR 45 22.872 8.329 -20.555 364 HE2 TYR 45 HE2 TYR 45 25.596 10.492 -18.085 365 HH TYR 45 HH TYR 45 24.090 8.988 -17.314 366 H THR 46 H THR 46 24.476 14.441 -22.146 367 HA THR 46 HA THR 46 22.323 14.297 -20.299 368 HB THR 46 HB THR 46 22.939 16.506 -19.599 369 HG1 THR 46 HG1 THR 46 24.769 16.798 -21.722 370 HG21 THR 46 HG21 THR 46 24.519 14.587 -19.136 371 HG22 THR 46 HG22 THR 46 25.229 16.198 -19.041 372 HG23 THR 46 HG23 THR 46 25.511 15.193 -20.463 373 H LYS 47 H LYS 47 22.734 15.770 -23.454 374 HA LYS 47 HA LYS 47 20.614 17.540 -23.520 375 HB2 LYS 47 HB2 LYS 47 22.241 17.345 -25.333 376 HB3 LYS 47 HB3 LYS 47 21.619 15.751 -25.742 377 HG2 LYS 47 HG2 LYS 47 19.703 18.013 -25.743 378 HG3 LYS 47 HG3 LYS 47 20.890 17.935 -27.047 379 HD2 LYS 47 HD2 LYS 47 19.515 15.404 -26.421 380 HD3 LYS 47 HD3 LYS 47 18.497 16.677 -27.099 381 HE2 LYS 47 HE2 LYS 47 20.967 16.550 -28.543 382 HE3 LYS 47 HE3 LYS 47 20.251 14.941 -28.461 383 HZ1 LYS 47 HZ1 LYS 47 19.046 17.410 -29.565 384 HZ2 LYS 47 HZ2 LYS 47 18.132 16.028 -29.224 385 HZ3 LYS 47 HZ3 LYS 47 19.373 15.960 -30.372 386 H VAL 48 H VAL 48 20.596 14.044 -23.806 387 HA VAL 48 HA VAL 48 17.655 14.119 -24.002 388 HB VAL 48 HB VAL 48 18.858 13.032 -25.921 389 HG11 VAL 48 HG11 VAL 48 20.549 11.986 -24.214 390 HG12 VAL 48 HG12 VAL 48 19.366 10.678 -24.163 391 HG13 VAL 48 HG13 VAL 48 20.120 11.127 -25.693 392 HG21 VAL 48 HG21 VAL 48 17.111 11.635 -26.241 393 HG22 VAL 48 HG22 VAL 48 17.328 10.836 -24.684 394 HG23 VAL 48 HG23 VAL 48 16.507 12.394 -24.768 395 H CYS 49 H CYS 49 19.051 14.395 -21.537 396 HA CYS 49 HA CYS 49 18.971 13.623 -19.400 397 HB2 CYS 49 HB2 CYS 49 16.744 12.261 -20.750 398 HB3 CYS 49 HB3 CYS 49 17.328 11.429 -19.314 399 HG CYS 49 HG CYS 49 16.956 14.670 -18.740 400 HA PRO 50 HA PRO 50 21.814 10.318 -18.925 401 HB2 PRO 50 HB2 PRO 50 21.069 9.158 -16.586 402 HB3 PRO 50 HB3 PRO 50 21.836 10.748 -16.668 403 HG2 PRO 50 HG2 PRO 50 18.938 10.056 -16.374 404 HG3 PRO 50 HG3 PRO 50 19.882 11.298 -15.532 405 HD2 PRO 50 HD2 PRO 50 18.253 11.871 -17.618 406 HD3 PRO 50 HD3 PRO 50 19.745 12.776 -17.296 407 H ASN 51 H ASN 51 20.509 9.359 -20.862 408 HA ASN 51 HA ASN 51 19.809 7.471 -21.920 409 HB2 ASN 51 HB2 ASN 51 21.161 6.526 -19.538 410 HB3 ASN 51 HB3 ASN 51 19.853 5.439 -19.996 411 HD21 ASN 51 HD21 ASN 51 21.958 7.431 -22.017 412 HD22 ASN 51 HD22 ASN 51 22.641 6.117 -22.907 413 H ARG 52 H ARG 52 17.721 7.460 -22.417 414 HA ARG 52 HA ARG 52 15.762 7.037 -20.258 415 HB2 ARG 52 HB2 ARG 52 15.611 8.590 -22.828 416 HB3 ARG 52 HB3 ARG 52 14.152 8.047 -22.011 417 HG2 ARG 52 HG2 ARG 52 14.576 9.384 -20.129 418 HG3 ARG 52 HG3 ARG 52 16.252 9.665 -20.607 419 HD2 ARG 52 HD2 ARG 52 15.665 11.181 -22.254 420 HD3 ARG 52 HD3 ARG 52 14.025 10.549 -22.391 421 HE ARG 52 HE ARG 52 14.414 11.660 -19.828 422 HH11 ARG 52 HH11 ARG 52 14.022 12.585 -23.161 423 HH12 ARG 52 HH12 ARG 52 13.323 14.126 -22.786 424 HH21 ARG 52 HH21 ARG 52 13.495 13.685 -19.322 425 HH22 ARG 52 HH22 ARG 52 13.025 14.751 -20.603 426 H CYS 53 H CYS 53 17.060 4.837 -21.353 427 HA CYS 53 HA CYS 53 15.225 3.681 -23.305 428 HB2 CYS 53 HB2 CYS 53 17.561 3.321 -23.765 429 HB3 CYS 53 HB3 CYS 53 17.834 2.697 -22.143 430 HG CYS 53 HG CYS 53 15.550 0.785 -23.313 431 H ASP 54 H ASP 54 16.832 2.123 -20.556 432 HA ASP 54 HA ASP 54 14.605 1.727 -18.935 433 HB2 ASP 54 HB2 ASP 54 14.729 -0.050 -21.248 434 HB3 ASP 54 HB3 ASP 54 14.680 -0.927 -19.721 435 H LEU 55 H LEU 55 17.110 -0.486 -20.186 436 HA LEU 55 HA LEU 55 17.822 -1.563 -17.715 437 HB2 LEU 55 HB2 LEU 55 19.970 -2.172 -18.855 438 HB3 LEU 55 HB3 LEU 55 18.499 -2.692 -19.675 439 HG LEU 55 HG LEU 55 19.221 -0.173 -20.749 440 HD11 LEU 55 HD11 LEU 55 21.502 -1.967 -21.276 441 HD12 LEU 55 HD12 LEU 55 21.492 -1.155 -19.710 442 HD13 LEU 55 HD13 LEU 55 21.431 -0.206 -21.196 443 HD21 LEU 55 HD21 LEU 55 19.326 -2.989 -21.818 444 HD22 LEU 55 HD22 LEU 55 19.522 -1.542 -22.807 445 HD23 LEU 55 HD23 LEU 55 17.999 -1.835 -21.967 446 H ALA 56 H ALA 56 19.120 1.231 -19.452 447 HA ALA 56 HA ALA 56 21.092 1.771 -17.413 448 HB1 ALA 56 HB1 ALA 56 21.510 2.268 -19.795 449 HB2 ALA 56 HB2 ALA 56 20.244 3.495 -19.736 450 HB3 ALA 56 HB3 ALA 56 21.699 3.682 -18.757 451 H THR 57 H THR 57 18.009 3.159 -18.467 452 HA THR 57 HA THR 57 17.967 5.388 -16.783 453 HB THR 57 HB THR 57 15.497 3.829 -17.525 454 HG1 THR 57 HG1 THR 57 16.189 4.098 -19.518 455 HG21 THR 57 HG21 THR 57 14.925 5.638 -16.146 456 HG22 THR 57 HG22 THR 57 14.659 6.241 -17.781 457 HG23 THR 57 HG23 THR 57 16.114 6.702 -16.897 458 H ALA 58 H ALA 58 16.728 2.101 -16.250 459 HA ALA 58 HA ALA 58 15.764 2.644 -13.623 460 HB1 ALA 58 HB1 ALA 58 16.211 0.150 -15.217 461 HB2 ALA 58 HB2 ALA 58 15.789 0.063 -13.506 462 HB3 ALA 58 HB3 ALA 58 14.698 0.854 -14.644 463 H ALA 59 H ALA 59 18.632 0.931 -14.855 464 HA ALA 59 HA ALA 59 19.756 0.296 -12.371 465 HB1 ALA 59 HB1 ALA 59 21.847 -0.026 -13.583 466 HB2 ALA 59 HB2 ALA 59 20.490 -0.719 -14.470 467 HB3 ALA 59 HB3 ALA 59 21.179 0.823 -14.978 468 H ASP 60 H ASP 60 19.694 3.268 -14.160 469 HA ASP 60 HA ASP 60 21.881 4.522 -12.825 470 HB2 ASP 60 HB2 ASP 60 21.245 5.378 -14.968 471 HB3 ASP 60 HB3 ASP 60 19.580 5.619 -14.444 472 H ARG 61 H ARG 61 18.348 4.758 -12.477 473 HA ARG 61 HA ARG 61 18.235 6.617 -10.432 474 HB2 ARG 61 HB2 ARG 61 16.461 4.592 -11.550 475 HB3 ARG 61 HB3 ARG 61 16.188 4.846 -9.831 476 HG2 ARG 61 HG2 ARG 61 14.729 6.292 -11.029 477 HG3 ARG 61 HG3 ARG 61 15.990 7.286 -10.296 478 HD2 ARG 61 HD2 ARG 61 16.426 6.282 -13.059 479 HD3 ARG 61 HD3 ARG 61 15.258 7.582 -12.826 480 HE ARG 61 HE ARG 61 18.119 7.757 -12.596 481 HH11 ARG 61 HH11 ARG 61 15.074 9.159 -11.656 482 HH12 ARG 61 HH12 ARG 61 15.743 10.727 -11.346 483 HH21 ARG 61 HH21 ARG 61 19.011 9.817 -12.193 484 HH22 ARG 61 HH22 ARG 61 17.983 11.100 -11.653 485 H ALA 62 H ALA 62 18.888 3.166 -10.279 486 HA ALA 62 HA ALA 62 18.881 3.133 -7.385 487 HB1 ALA 62 HB1 ALA 62 18.731 1.187 -9.463 488 HB2 ALA 62 HB2 ALA 62 20.076 0.782 -8.396 489 HB3 ALA 62 HB3 ALA 62 18.454 0.985 -7.733 490 H ALA 63 H ALA 63 21.299 2.697 -9.963 491 HA ALA 63 HA ALA 63 23.551 2.348 -8.392 492 HB1 ALA 63 HB1 ALA 63 24.847 3.063 -10.301 493 HB2 ALA 63 HB2 ALA 63 23.487 2.078 -10.843 494 HB3 ALA 63 HB3 ALA 63 23.429 3.833 -11.013 495 H LYS 64 H LYS 64 21.744 5.243 -9.053 496 HA LYS 64 HA LYS 64 23.663 7.182 -8.425 497 HB2 LYS 64 HB2 LYS 64 20.677 7.092 -8.392 498 HB3 LYS 64 HB3 LYS 64 21.487 8.460 -7.641 499 HG2 LYS 64 HG2 LYS 64 21.879 7.570 -10.491 500 HG3 LYS 64 HG3 LYS 64 20.840 8.898 -9.968 501 HD2 LYS 64 HD2 LYS 64 23.832 8.710 -9.615 502 HD3 LYS 64 HD3 LYS 64 22.971 9.759 -10.745 503 HE2 LYS 64 HE2 LYS 64 21.834 10.780 -8.735 504 HE3 LYS 64 HE3 LYS 64 22.981 9.888 -7.737 505 HZ1 LYS 64 HZ1 LYS 64 24.056 11.533 -9.902 506 HZ2 LYS 64 HZ2 LYS 64 24.701 11.202 -8.373 507 HZ3 LYS 64 HZ3 LYS 64 23.455 12.333 -8.537 508 H GLY 65 H GLY 65 22.066 4.907 -6.432 509 HA2 GLY 65 HA2 GLY 65 23.055 4.544 -4.227 510 HA3 GLY 65 HA3 GLY 65 23.125 6.291 -4.047 511 H ALA 66 H ALA 66 20.294 5.066 -5.526 512 HA ALA 66 HA ALA 66 18.104 5.180 -4.887 513 HB1 ALA 66 HB1 ALA 66 19.059 3.975 -2.302 514 HB2 ALA 66 HB2 ALA 66 17.501 3.756 -3.099 515 HB3 ALA 66 HB3 ALA 66 18.959 3.062 -3.808 516 H TYR 67 H TYR 67 18.592 7.599 -4.773 517 HA TYR 67 HA TYR 67 19.044 9.034 -2.480 518 HB2 TYR 67 HB2 TYR 67 18.874 10.142 -4.614 519 HB3 TYR 67 HB3 TYR 67 17.184 9.676 -4.775 520 HD1 TYR 67 HD1 TYR 67 19.449 11.629 -2.543 521 HD2 TYR 67 HD2 TYR 67 15.530 11.170 -4.135 522 HE1 TYR 67 HE1 TYR 67 18.772 13.735 -1.467 523 HE2 TYR 67 HE2 TYR 67 14.842 13.275 -3.065 524 HH TYR 67 HH TYR 67 17.161 15.271 -1.276 525 H GLY 68 H GLY 68 16.116 7.386 -3.465 526 HA2 GLY 68 HA2 GLY 68 14.287 6.767 -2.202 527 HA3 GLY 68 HA3 GLY 68 15.088 7.450 -0.795 528 H TYR 69 H TYR 69 13.263 8.458 0.009 529 HA TYR 69 HA TYR 69 11.663 10.061 0.245 530 HB2 TYR 69 HB2 TYR 69 14.004 11.317 -0.897 531 HB3 TYR 69 HB3 TYR 69 12.541 12.146 -1.416 532 HD1 TYR 69 HD1 TYR 69 13.540 10.524 1.803 533 HD2 TYR 69 HD2 TYR 69 12.246 14.065 -0.171 534 HE1 TYR 69 HE1 TYR 69 13.439 11.687 3.968 535 HE2 TYR 69 HE2 TYR 69 12.143 15.238 1.989 536 HH TYR 69 HH TYR 69 11.895 13.982 4.752 537 H ASP 70 H ASP 70 10.004 8.935 -0.813 538 HA ASP 70 HA ASP 70 9.193 10.158 -3.341 539 HB2 ASP 70 HB2 ASP 70 10.327 7.657 -3.346 540 HB3 ASP 70 HB3 ASP 70 8.609 7.283 -3.235 541 H VAL 71 H VAL 71 7.227 10.952 -3.059 542 HA VAL 71 HA VAL 71 5.601 10.486 -0.846 543 HB VAL 71 HB VAL 71 5.438 12.455 -2.381 544 HG11 VAL 71 HG11 VAL 71 3.573 10.940 -4.125 545 HG12 VAL 71 HG12 VAL 71 4.571 12.350 -4.487 546 HG13 VAL 71 HG13 VAL 71 5.303 10.748 -4.406 547 HG21 VAL 71 HG21 VAL 71 2.893 12.525 -2.310 548 HG22 VAL 71 HG22 VAL 71 2.980 10.900 -1.628 549 HG23 VAL 71 HG23 VAL 71 3.727 12.254 -0.779 550 H GLN 72 H GLN 72 5.882 8.749 -3.837 551 HA GLN 72 HA GLN 72 4.484 6.507 -2.890 552 HB2 GLN 72 HB2 GLN 72 2.674 8.385 -3.516 553 HB3 GLN 72 HB3 GLN 72 2.891 7.670 -5.109 554 HG2 GLN 72 HG2 GLN 72 1.460 6.088 -4.542 555 HG3 GLN 72 HG3 GLN 72 2.615 5.521 -3.337 556 HE21 GLN 72 HE21 GLN 72 2.566 6.847 -1.259 557 HE22 GLN 72 HE22 GLN 72 0.999 7.213 -0.632 558 H LEU 73 H LEU 73 6.922 6.815 -4.066 559 HA LEU 73 HA LEU 73 8.280 6.086 -5.744 560 HB2 LEU 73 HB2 LEU 73 5.959 4.226 -6.239 561 HB3 LEU 73 HB3 LEU 73 7.606 3.999 -6.824 562 HG LEU 73 HG LEU 73 7.483 2.560 -5.012 563 HD11 LEU 73 HD11 LEU 73 9.121 3.305 -3.604 564 HD12 LEU 73 HD12 LEU 73 8.414 4.913 -3.448 565 HD13 LEU 73 HD13 LEU 73 9.287 4.472 -4.916 566 HD21 LEU 73 HD21 LEU 73 5.257 3.618 -4.270 567 HD22 LEU 73 HD22 LEU 73 6.255 4.624 -3.220 568 HD23 LEU 73 HD23 LEU 73 6.281 2.870 -3.043 569 H THR 74 H THR 74 6.759 8.341 -6.418 570 HA THR 74 HA THR 74 5.567 8.025 -9.002 571 HB THR 74 HB THR 74 6.489 10.555 -7.624 572 HG1 THR 74 HG1 THR 74 4.496 10.623 -6.745 573 HG21 THR 74 HG21 THR 74 6.196 11.218 -9.817 574 HG22 THR 74 HG22 THR 74 4.571 11.445 -9.171 575 HG23 THR 74 HG23 THR 74 4.948 10.012 -10.126 576 H THR 75 H THR 75 8.760 8.678 -7.805 577 HA THR 75 HA THR 75 9.895 9.881 -10.072 578 HB THR 75 HB THR 75 12.043 9.288 -9.180 579 HG1 THR 75 HG1 THR 75 11.915 7.176 -8.623 580 HG21 THR 75 HG21 THR 75 10.119 9.758 -6.899 581 HG22 THR 75 HG22 THR 75 10.795 11.006 -7.944 582 HG23 THR 75 HG23 THR 75 11.852 10.081 -6.877 583 H LEU 76 H LEU 76 9.567 6.471 -9.164 584 HA LEU 76 HA LEU 76 10.941 5.510 -11.486 585 HB2 LEU 76 HB2 LEU 76 10.022 4.437 -9.057 586 HB3 LEU 76 HB3 LEU 76 9.183 3.556 -10.332 587 HG LEU 76 HG LEU 76 11.678 3.399 -11.284 588 HD11 LEU 76 HD11 LEU 76 12.726 2.745 -8.787 589 HD12 LEU 76 HD12 LEU 76 11.985 4.331 -8.575 590 HD13 LEU 76 HD13 LEU 76 13.203 4.087 -9.827 591 HD21 LEU 76 HD21 LEU 76 9.842 1.678 -10.221 592 HD22 LEU 76 HD22 LEU 76 11.234 1.431 -9.167 593 HD23 LEU 76 HD23 LEU 76 11.398 1.209 -10.909 594 H LYS 77 H LYS 77 7.534 5.676 -10.492 595 HA LYS 77 HA LYS 77 6.438 4.485 -12.781 596 HB2 LYS 77 HB2 LYS 77 5.478 5.819 -10.438 597 HB3 LYS 77 HB3 LYS 77 4.633 6.464 -11.839 598 HG2 LYS 77 HG2 LYS 77 3.403 4.614 -10.893 599 HG3 LYS 77 HG3 LYS 77 4.005 4.186 -12.496 600 HD2 LYS 77 HD2 LYS 77 4.391 2.306 -11.101 601 HD3 LYS 77 HD3 LYS 77 5.957 3.083 -11.340 602 HE2 LYS 77 HE2 LYS 77 4.992 4.340 -9.099 603 HE3 LYS 77 HE3 LYS 77 4.403 2.691 -8.898 604 HZ1 LYS 77 HZ1 LYS 77 6.928 2.254 -9.642 605 HZ2 LYS 77 HZ2 LYS 77 6.430 2.369 -8.029 606 HZ3 LYS 77 HZ3 LYS 77 7.112 3.710 -8.802 607 H GLU 78 H GLU 78 7.504 7.756 -12.145 608 HA GLU 78 HA GLU 78 6.292 8.896 -14.475 609 HB2 GLU 78 HB2 GLU 78 6.854 10.232 -12.469 610 HB3 GLU 78 HB3 GLU 78 8.562 9.951 -12.778 611 HG2 GLU 78 HG2 GLU 78 8.209 11.058 -15.018 612 HG3 GLU 78 HG3 GLU 78 6.622 11.544 -14.425 613 H ASP 79 H ASP 79 9.386 7.449 -13.707 614 HA ASP 79 HA ASP 79 10.711 8.297 -16.089 615 HB2 ASP 79 HB2 ASP 79 11.388 6.852 -13.713 616 HB3 ASP 79 HB3 ASP 79 11.906 5.915 -15.111 617 H ILE 80 H ILE 80 9.221 5.233 -15.069 618 HA ILE 80 HA ILE 80 9.737 3.750 -17.365 619 HB ILE 80 HB ILE 80 8.876 2.673 -15.389 620 HG12 ILE 80 HG12 ILE 80 7.130 1.269 -16.384 621 HG13 ILE 80 HG13 ILE 80 6.855 2.477 -17.634 622 HG21 ILE 80 HG21 ILE 80 6.651 2.999 -14.549 623 HG22 ILE 80 HG22 ILE 80 7.449 4.567 -14.656 624 HG23 ILE 80 HG23 ILE 80 6.265 4.096 -15.875 625 HD11 ILE 80 HD11 ILE 80 9.625 1.722 -17.557 626 HD12 ILE 80 HD12 ILE 80 8.592 0.303 -17.725 627 HD13 ILE 80 HD13 ILE 80 8.468 1.627 -18.884 628 H ARG 81 H ARG 81 7.074 5.960 -16.644 629 HA ARG 81 HA ARG 81 5.668 5.432 -19.076 630 HB2 ARG 81 HB2 ARG 81 4.237 7.274 -18.441 631 HB3 ARG 81 HB3 ARG 81 4.563 6.281 -17.027 632 HG2 ARG 81 HG2 ARG 81 6.133 7.880 -16.186 633 HG3 ARG 81 HG3 ARG 81 6.031 8.827 -17.671 634 HD2 ARG 81 HD2 ARG 81 3.570 8.288 -16.062 635 HD3 ARG 81 HD3 ARG 81 4.685 9.562 -15.568 636 HE ARG 81 HE ARG 81 4.238 10.078 -18.196 637 HH11 ARG 81 HH11 ARG 81 2.172 9.598 -15.435 638 HH12 ARG 81 HH12 ARG 81 0.918 10.635 -16.029 639 HH21 ARG 81 HH21 ARG 81 2.594 11.446 -18.989 640 HH22 ARG 81 HH22 ARG 81 1.159 11.685 -18.052 641 H LEU 82 H LEU 82 8.137 7.686 -18.065 642 HA LEU 82 HA LEU 82 7.891 9.490 -20.240 643 HB2 LEU 82 HB2 LEU 82 9.059 9.903 -18.044 644 HB3 LEU 82 HB3 LEU 82 10.385 8.917 -18.657 645 HG LEU 82 HG LEU 82 10.686 11.419 -18.808 646 HD11 LEU 82 HD11 LEU 82 10.798 10.229 -21.541 647 HD12 LEU 82 HD12 LEU 82 11.774 9.536 -20.247 648 HD13 LEU 82 HD13 LEU 82 11.982 11.228 -20.697 649 HD21 LEU 82 HD21 LEU 82 9.416 12.723 -20.170 650 HD22 LEU 82 HD22 LEU 82 8.193 11.533 -19.724 651 HD23 LEU 82 HD23 LEU 82 9.031 11.398 -21.269 652 H MET 83 H MET 83 9.961 6.671 -19.652 653 HA MET 83 HA MET 83 11.496 6.846 -21.989 654 HB2 MET 83 HB2 MET 83 10.686 4.406 -20.399 655 HB3 MET 83 HB3 MET 83 11.937 4.427 -21.634 656 HG2 MET 83 HG2 MET 83 13.305 5.875 -20.337 657 HG3 MET 83 HG3 MET 83 12.008 6.154 -19.177 658 HE1 MET 83 HE1 MET 83 11.664 3.956 -16.913 659 HE2 MET 83 HE2 MET 83 13.330 4.377 -16.513 660 HE3 MET 83 HE3 MET 83 12.262 5.587 -17.224 661 H VAL 84 H VAL 84 8.598 4.873 -21.336 662 HA VAL 84 HA VAL 84 8.321 3.774 -23.882 663 HB VAL 84 HB VAL 84 7.045 2.962 -21.963 664 HG11 VAL 84 HG11 VAL 84 6.571 5.081 -20.876 665 HG12 VAL 84 HG12 VAL 84 5.510 5.547 -22.206 666 HG13 VAL 84 HG13 VAL 84 5.075 4.193 -21.163 667 HG21 VAL 84 HG21 VAL 84 4.940 3.887 -23.857 668 HG22 VAL 84 HG22 VAL 84 6.250 2.877 -24.467 669 HG23 VAL 84 HG23 VAL 84 5.213 2.287 -23.168 670 H ASN 85 H ASN 85 7.380 6.907 -22.639 671 HA ASN 85 HA ASN 85 5.669 7.631 -24.786 672 HB2 ASN 85 HB2 ASN 85 7.052 9.115 -22.584 673 HB3 ASN 85 HB3 ASN 85 6.321 10.022 -23.905 674 HD21 ASN 85 HD21 ASN 85 5.623 9.878 -21.062 675 HD22 ASN 85 HD22 ASN 85 3.966 9.391 -21.010 676 H ASN 86 H ASN 86 9.088 8.290 -24.087 677 HA ASN 86 HA ASN 86 9.495 9.751 -26.517 678 HB2 ASN 86 HB2 ASN 86 10.870 9.524 -24.145 679 HB3 ASN 86 HB3 ASN 86 11.885 8.609 -25.256 680 HD21 ASN 86 HD21 ASN 86 13.505 9.851 -25.851 681 HD22 ASN 86 HD22 ASN 86 13.390 11.497 -26.360 682 H CYS 87 H CYS 87 9.481 6.436 -25.646 683 HA CYS 87 HA CYS 87 11.260 5.427 -27.598 684 HB2 CYS 87 HB2 CYS 87 9.161 4.301 -25.827 685 HB3 CYS 87 HB3 CYS 87 9.597 3.347 -27.240 686 HG CYS 87 HG CYS 87 11.052 3.363 -24.388 687 H ILE 88 H ILE 88 7.707 5.127 -27.573 688 HA ILE 88 HA ILE 88 7.501 4.472 -30.296 689 HB ILE 88 HB ILE 88 5.119 4.880 -30.084 690 HG12 ILE 88 HG12 ILE 88 4.610 5.627 -27.498 691 HG13 ILE 88 HG13 ILE 88 6.019 6.610 -27.881 692 HG21 ILE 88 HG21 ILE 88 5.445 3.765 -27.429 693 HG22 ILE 88 HG22 ILE 88 4.868 3.004 -28.911 694 HG23 ILE 88 HG23 ILE 88 6.598 3.088 -28.578 695 HD11 ILE 88 HD11 ILE 88 3.289 6.963 -28.656 696 HD12 ILE 88 HD12 ILE 88 4.664 8.048 -28.865 697 HD13 ILE 88 HD13 ILE 88 4.312 6.825 -30.086 698 H LEU 89 H LEU 89 7.630 7.538 -28.639 699 HA LEU 89 HA LEU 89 6.683 9.115 -30.823 700 HB2 LEU 89 HB2 LEU 89 6.595 9.855 -28.475 701 HB3 LEU 89 HB3 LEU 89 8.355 9.927 -28.449 702 HG LEU 89 HG LEU 89 7.572 11.540 -30.600 703 HD11 LEU 89 HD11 LEU 89 5.286 11.411 -29.504 704 HD12 LEU 89 HD12 LEU 89 5.941 13.024 -29.787 705 HD13 LEU 89 HD13 LEU 89 5.990 12.324 -28.169 706 HD21 LEU 89 HD21 LEU 89 9.381 11.677 -28.686 707 HD22 LEU 89 HD22 LEU 89 8.170 12.716 -27.934 708 HD23 LEU 89 HD23 LEU 89 8.818 13.125 -29.523 709 H PHE 90 H PHE 90 9.927 9.071 -29.340 710 HA PHE 90 HA PHE 90 11.197 10.252 -31.560 711 HB2 PHE 90 HB2 PHE 90 11.949 9.822 -29.019 712 HB3 PHE 90 HB3 PHE 90 12.792 8.481 -29.787 713 HD1 PHE 90 HD1 PHE 90 12.203 12.110 -30.445 714 HD2 PHE 90 HD2 PHE 90 14.966 8.873 -30.371 715 HE1 PHE 90 HE1 PHE 90 14.007 13.639 -31.124 716 HE2 PHE 90 HE2 PHE 90 16.775 10.398 -31.049 717 HZ PHE 90 HZ PHE 90 16.296 12.784 -31.427 718 H ASN 91 H ASN 91 11.507 6.895 -30.384 719 HA ASN 91 HA ASN 91 11.043 5.628 -32.811 720 HB2 ASN 91 HB2 ASN 91 13.556 6.940 -32.790 721 HB3 ASN 91 HB3 ASN 91 13.878 5.213 -32.666 722 HD21 ASN 91 HD21 ASN 91 12.239 3.948 -34.181 723 HD22 ASN 91 HD22 ASN 91 12.241 4.511 -35.815 724 H GLY 92 H GLY 92 10.291 3.806 -31.948 725 HA2 GLY 92 HA2 GLY 92 12.057 2.036 -30.536 726 HA3 GLY 92 HA3 GLY 92 10.810 2.711 -29.498 727 H ALA 93 H ALA 93 8.534 2.490 -30.364 728 HA ALA 93 HA ALA 93 8.205 -0.254 -31.330 729 HB1 ALA 93 HB1 ALA 93 6.207 1.606 -30.048 730 HB2 ALA 93 HB2 ALA 93 5.913 -0.076 -30.491 731 HB3 ALA 93 HB3 ALA 93 7.092 0.313 -29.238 732 H GLU 94 H GLU 94 6.151 2.626 -31.707 733 HA GLU 94 HA GLU 94 5.069 3.498 -33.508 734 HB2 GLU 94 HB2 GLU 94 7.700 3.294 -34.237 735 HB3 GLU 94 HB3 GLU 94 6.903 2.408 -35.529 736 HG2 GLU 94 HG2 GLU 94 5.335 4.520 -35.557 737 HG3 GLU 94 HG3 GLU 94 6.741 5.287 -34.820 738 H GLY 95 H GLY 95 4.803 0.555 -32.706 739 HA2 GLY 95 HA2 GLY 95 2.712 -0.148 -34.385 740 HA3 GLY 95 HA3 GLY 95 4.151 -0.897 -35.062 741 H ALA 96 H ALA 96 5.353 -1.231 -32.376 742 HA ALA 96 HA ALA 96 3.697 -3.502 -31.487 743 HB1 ALA 96 HB1 ALA 96 6.080 -3.816 -32.549 744 HB2 ALA 96 HB2 ALA 96 6.619 -3.404 -30.920 745 HB3 ALA 96 HB3 ALA 96 5.563 -4.794 -31.175 746 H TYR 97 H TYR 97 2.886 -1.294 -30.346 747 HA TYR 97 HA TYR 97 4.218 -0.198 -28.193 748 HB2 TYR 97 HB2 TYR 97 2.031 0.421 -27.315 749 HB3 TYR 97 HB3 TYR 97 2.059 0.629 -29.062 750 HD1 TYR 97 HD1 TYR 97 0.908 -1.051 -30.514 751 HD2 TYR 97 HD2 TYR 97 0.507 -1.075 -26.279 752 HE1 TYR 97 HE1 TYR 97 -1.097 -2.461 -30.718 753 HE2 TYR 97 HE2 TYR 97 -1.498 -2.486 -26.471 754 HH TYR 97 HH TYR 97 -3.320 -2.790 -28.773 755 H ALA 98 H ALA 98 2.666 -3.301 -28.470 756 HA ALA 98 HA ALA 98 2.284 -3.978 -25.806 757 HB1 ALA 98 HB1 ALA 98 2.623 -5.446 -28.326 758 HB2 ALA 98 HB2 ALA 98 3.024 -6.358 -26.870 759 HB3 ALA 98 HB3 ALA 98 1.423 -5.640 -27.049 760 H ASP 99 H ASP 99 5.224 -3.752 -27.650 761 HA ASP 99 HA ASP 99 6.900 -5.312 -26.012 762 HB2 ASP 99 HB2 ASP 99 7.492 -2.974 -27.831 763 HB3 ASP 99 HB3 ASP 99 8.746 -3.910 -27.021 764 H ALA 100 H ALA 100 5.883 -1.950 -25.839 765 HA ALA 100 HA ALA 100 7.662 -1.322 -23.660 766 HB1 ALA 100 HB1 ALA 100 7.085 0.826 -24.006 767 HB2 ALA 100 HB2 ALA 100 6.447 0.203 -25.528 768 HB3 ALA 100 HB3 ALA 100 5.367 0.452 -24.157 769 H ALA 101 H ALA 101 4.482 -2.603 -24.021 770 HA ALA 101 HA ALA 101 3.477 -1.869 -21.456 771 HB1 ALA 101 HB1 ALA 101 2.480 -3.155 -23.766 772 HB2 ALA 101 HB2 ALA 101 2.226 -4.248 -22.404 773 HB3 ALA 101 HB3 ALA 101 1.585 -2.605 -22.349 774 H ARG 102 H ARG 102 5.406 -4.506 -22.679 775 HA ARG 102 HA ARG 102 5.037 -6.310 -20.539 776 HB2 ARG 102 HB2 ARG 102 6.240 -6.505 -22.929 777 HB3 ARG 102 HB3 ARG 102 7.661 -6.244 -21.926 778 HG2 ARG 102 HG2 ARG 102 5.674 -8.315 -21.125 779 HG3 ARG 102 HG3 ARG 102 6.814 -8.657 -22.428 780 HD2 ARG 102 HD2 ARG 102 8.322 -7.490 -20.375 781 HD3 ARG 102 HD3 ARG 102 7.239 -8.635 -19.584 782 HE ARG 102 HE ARG 102 9.497 -9.261 -21.188 783 HH11 ARG 102 HH11 ARG 102 6.291 -10.346 -20.372 784 HH12 ARG 102 HH12 ARG 102 6.626 -12.010 -20.717 785 HH21 ARG 102 HH21 ARG 102 9.950 -11.449 -21.645 786 HH22 ARG 102 HH22 ARG 102 8.707 -12.637 -21.440 787 H THR 103 H THR 103 7.646 -3.975 -21.197 788 HA THR 103 HA THR 103 9.090 -4.423 -18.836 789 HB THR 103 HB THR 103 10.123 -3.231 -20.658 790 HG1 THR 103 HG1 THR 103 11.033 -2.592 -18.762 791 HG21 THR 103 HG21 THR 103 8.108 -1.041 -20.145 792 HG22 THR 103 HG22 THR 103 8.122 -2.118 -21.540 793 HG23 THR 103 HG23 THR 103 9.440 -0.972 -21.297 794 H PHE 104 H PHE 104 6.373 -2.303 -19.541 795 HA PHE 104 HA PHE 104 6.452 -0.744 -17.209 796 HB2 PHE 104 HB2 PHE 104 5.072 -0.070 -19.067 797 HB3 PHE 104 HB3 PHE 104 4.128 -1.552 -18.965 798 HD1 PHE 104 HD1 PHE 104 4.963 1.554 -17.121 799 HD2 PHE 104 HD2 PHE 104 2.220 -1.661 -17.631 800 HE1 PHE 104 HE1 PHE 104 3.373 2.677 -15.617 801 HE2 PHE 104 HE2 PHE 104 0.625 -0.542 -16.128 802 HZ PHE 104 HZ PHE 104 1.201 1.629 -15.118 803 H GLU 105 H GLU 105 4.558 -3.674 -17.932 804 HA GLU 105 HA GLU 105 3.255 -3.961 -15.516 805 HB2 GLU 105 HB2 GLU 105 4.085 -5.800 -17.681 806 HB3 GLU 105 HB3 GLU 105 3.698 -6.552 -16.140 807 HG2 GLU 105 HG2 GLU 105 1.857 -4.640 -17.548 808 HG3 GLU 105 HG3 GLU 105 1.809 -6.387 -17.779 809 H LYS 106 H LYS 106 6.532 -4.929 -16.391 810 HA LYS 106 HA LYS 106 7.169 -6.429 -14.126 811 HB2 LYS 106 HB2 LYS 106 8.907 -4.706 -15.896 812 HB3 LYS 106 HB3 LYS 106 9.546 -5.766 -14.646 813 HG2 LYS 106 HG2 LYS 106 7.774 -6.799 -16.833 814 HG3 LYS 106 HG3 LYS 106 9.520 -6.635 -17.040 815 HD2 LYS 106 HD2 LYS 106 9.921 -8.123 -15.180 816 HD3 LYS 106 HD3 LYS 106 8.192 -8.206 -14.832 817 HE2 LYS 106 HE2 LYS 106 8.474 -8.902 -17.535 818 HE3 LYS 106 HE3 LYS 106 9.760 -9.753 -16.680 819 HZ1 LYS 106 HZ1 LYS 106 8.269 -10.947 -15.437 820 HZ2 LYS 106 HZ2 LYS 106 7.419 -10.814 -16.894 821 HZ3 LYS 106 HZ3 LYS 106 7.030 -9.805 -15.593 822 H PHE 107 H PHE 107 7.560 -2.948 -14.725 823 HA PHE 107 HA PHE 107 8.819 -2.210 -12.384 824 HB2 PHE 107 HB2 PHE 107 7.028 -0.843 -14.316 825 HB3 PHE 107 HB3 PHE 107 7.243 -0.062 -12.753 826 HD1 PHE 107 HD1 PHE 107 9.428 0.768 -12.067 827 HD2 PHE 107 HD2 PHE 107 8.823 -0.985 -15.898 828 HE1 PHE 107 HE1 PHE 107 11.564 1.719 -12.836 829 HE2 PHE 107 HE2 PHE 107 10.957 -0.038 -16.673 830 HZ PHE 107 HZ PHE 107 12.331 1.316 -15.141 831 H ALA 108 H ALA 108 5.319 -2.439 -12.979 832 HA ALA 108 HA ALA 108 4.460 -1.669 -10.435 833 HB1 ALA 108 HB1 ALA 108 2.404 -3.088 -11.043 834 HB2 ALA 108 HB2 ALA 108 2.808 -1.718 -12.078 835 HB3 ALA 108 HB3 ALA 108 3.223 -3.356 -12.582 836 H MET 109 H MET 109 5.059 -4.932 -11.729 837 HA MET 109 HA MET 109 4.393 -6.356 -9.417 838 HB2 MET 109 HB2 MET 109 4.731 -7.360 -11.666 839 HB3 MET 109 HB3 MET 109 6.462 -7.103 -11.491 840 HG2 MET 109 HG2 MET 109 6.260 -9.300 -10.881 841 HG3 MET 109 HG3 MET 109 6.178 -8.493 -9.316 842 HE1 MET 109 HE1 MET 109 5.453 -10.997 -8.818 843 HE2 MET 109 HE2 MET 109 4.562 -9.982 -7.684 844 HE3 MET 109 HE3 MET 109 3.739 -11.296 -8.525 845 H GLY 110 H GLY 110 7.494 -5.002 -10.480 846 HA2 GLY 110 HA2 GLY 110 9.103 -6.049 -8.443 847 HA3 GLY 110 HA3 GLY 110 9.430 -4.567 -9.330 848 H LYS 111 H LYS 111 7.338 -2.966 -8.566 849 HA LYS 111 HA LYS 111 8.199 -1.854 -6.193 850 HB2 LYS 111 HB2 LYS 111 6.619 -0.890 -7.981 851 HB3 LYS 111 HB3 LYS 111 5.329 -1.681 -7.085 852 HG2 LYS 111 HG2 LYS 111 6.723 -0.311 -5.137 853 HG3 LYS 111 HG3 LYS 111 6.744 0.784 -6.522 854 HD2 LYS 111 HD2 LYS 111 4.510 1.134 -6.445 855 HD3 LYS 111 HD3 LYS 111 4.161 -0.523 -5.946 856 HE2 LYS 111 HE2 LYS 111 5.598 1.013 -3.926 857 HE3 LYS 111 HE3 LYS 111 4.034 1.710 -4.344 858 HZ1 LYS 111 HZ1 LYS 111 2.992 0.107 -3.243 859 HZ2 LYS 111 HZ2 LYS 111 4.491 -0.384 -2.631 860 HZ3 LYS 111 HZ3 LYS 111 3.865 -1.114 -4.023 861 H ILE 112 H ILE 112 5.486 -4.094 -6.692 862 HA ILE 112 HA ILE 112 4.525 -4.193 -4.091 863 HB ILE 112 HB ILE 112 4.642 -6.477 -6.065 864 HG12 ILE 112 HG12 ILE 112 2.479 -4.416 -5.581 865 HG13 ILE 112 HG13 ILE 112 3.561 -4.448 -6.969 866 HG21 ILE 112 HG21 ILE 112 3.677 -7.710 -4.494 867 HG22 ILE 112 HG22 ILE 112 3.719 -6.351 -3.373 868 HG23 ILE 112 HG23 ILE 112 2.333 -6.569 -4.441 869 HD11 ILE 112 HD11 ILE 112 2.535 -6.919 -7.134 870 HD12 ILE 112 HD12 ILE 112 1.183 -6.075 -6.380 871 HD13 ILE 112 HD13 ILE 112 1.827 -5.510 -7.922 872 H ASP 113 H ASP 113 7.066 -6.159 -5.603 873 HA ASP 113 HA ASP 113 7.604 -7.858 -3.467 874 HB2 ASP 113 HB2 ASP 113 9.403 -6.772 -5.635 875 HB3 ASP 113 HB3 ASP 113 9.931 -7.990 -4.478 876 H ALA 114 H ALA 114 9.091 -4.723 -4.253 877 HA ALA 114 HA ALA 114 10.912 -4.582 -2.166 878 HB1 ALA 114 HB1 ALA 114 10.011 -2.873 -4.178 879 HB2 ALA 114 HB2 ALA 114 9.747 -1.995 -2.671 880 HB3 ALA 114 HB3 ALA 114 11.355 -2.601 -3.069 881 H TYR 115 H TYR 115 7.514 -3.556 -2.232 882 HA TYR 115 HA TYR 115 7.322 -2.364 0.247 883 HB2 TYR 115 HB2 TYR 115 5.448 -2.263 -1.221 884 HB3 TYR 115 HB3 TYR 115 5.321 -4.017 -1.293 885 HD1 TYR 115 HD1 TYR 115 5.732 -1.859 1.709 886 HD2 TYR 115 HD2 TYR 115 3.162 -4.435 -0.496 887 HE1 TYR 115 HE1 TYR 115 4.109 -1.812 3.557 888 HE2 TYR 115 HE2 TYR 115 1.531 -4.394 1.345 889 HH TYR 115 HH TYR 115 1.332 -2.245 3.578 890 H ILE 116 H ILE 116 7.079 -5.805 -0.559 891 HA ILE 116 HA ILE 116 6.448 -6.719 2.029 892 HB ILE 116 HB ILE 116 7.953 -8.225 -0.113 893 HG12 ILE 116 HG12 ILE 116 4.972 -8.077 0.387 894 HG13 ILE 116 HG13 ILE 116 5.814 -7.262 -0.927 895 HG21 ILE 116 HG21 ILE 116 7.944 -9.947 1.284 896 HG22 ILE 116 HG22 ILE 116 7.241 -8.916 2.530 897 HG23 ILE 116 HG23 ILE 116 6.192 -9.832 1.449 898 HD11 ILE 116 HD11 ILE 116 6.438 -10.070 -0.898 899 HD12 ILE 116 HD12 ILE 116 4.695 -9.805 -0.958 900 HD13 ILE 116 HD13 ILE 116 5.740 -9.082 -2.182 901 H SER 117 H SER 117 9.511 -6.061 0.430 902 HA SER 117 HA SER 117 11.142 -7.225 2.461 903 HB2 SER 117 HB2 SER 117 11.648 -5.431 0.110 904 HB3 SER 117 HB3 SER 117 12.920 -5.693 1.302 905 HG SER 117 HG SER 117 12.178 -7.285 -0.694 906 H GLN 118 H GLN 118 9.902 -3.995 1.820 907 HA GLN 118 HA GLN 118 11.027 -3.120 4.399 908 HB2 GLN 118 HB2 GLN 118 10.899 -0.798 3.451 909 HB3 GLN 118 HB3 GLN 118 12.074 -1.849 2.671 910 HG2 GLN 118 HG2 GLN 118 9.559 -2.065 1.329 911 HG3 GLN 118 HG3 GLN 118 10.012 -0.368 1.477 912 HE21 GLN 118 HE21 GLN 118 12.022 -3.251 1.095 913 HE22 GLN 118 HE22 GLN 118 12.763 -2.755 -0.385 914 H LYS 119 H LYS 119 8.999 -4.160 5.204 915 HA LYS 119 HA LYS 119 6.717 -2.308 4.973 916 HB2 LYS 119 HB2 LYS 119 6.103 -4.449 4.069 917 HB3 LYS 119 HB3 LYS 119 6.755 -5.286 5.472 918 HG2 LYS 119 HG2 LYS 119 4.958 -4.781 6.785 919 HG3 LYS 119 HG3 LYS 119 4.588 -3.299 5.901 920 HD2 LYS 119 HD2 LYS 119 2.882 -4.599 5.136 921 HD3 LYS 119 HD3 LYS 119 4.112 -5.046 3.952 922 HE2 LYS 119 HE2 LYS 119 4.393 -7.127 4.828 923 HE3 LYS 119 HE3 LYS 119 4.023 -6.605 6.470 924 HZ1 LYS 119 HZ1 LYS 119 1.746 -6.349 4.801 925 HZ2 LYS 119 HZ2 LYS 119 1.932 -7.248 6.222 926 HZ3 LYS 119 HZ3 LYS 119 2.345 -7.929 4.730 927 H VAL 120 H VAL 120 8.971 -3.844 7.065 928 HA VAL 120 HA VAL 120 7.558 -3.616 9.508 929 HB VAL 120 HB VAL 120 10.487 -3.847 8.861 930 HG11 VAL 120 HG11 VAL 120 9.196 -3.531 11.563 931 HG12 VAL 120 HG12 VAL 120 10.809 -4.209 11.329 932 HG13 VAL 120 HG13 VAL 120 10.472 -2.545 10.849 933 HG21 VAL 120 HG21 VAL 120 8.591 -5.722 10.271 934 HG22 VAL 120 HG22 VAL 120 9.023 -5.819 8.564 935 HG23 VAL 120 HG23 VAL 120 10.257 -6.060 9.801 936 H GLY 121 H GLY 121 9.740 -1.450 7.767 937 HA2 GLY 121 HA2 GLY 121 8.630 0.845 9.069 938 HA3 GLY 121 HA3 GLY 121 10.246 0.479 9.655 939 H GLY 122 H GLY 122 8.487 0.833 6.571 940 HA2 GLY 122 HA2 GLY 122 10.434 2.751 5.643 941 HA3 GLY 122 HA3 GLY 122 10.518 1.204 4.814 942 H LEU 123 H LEU 123 7.733 0.624 4.835 943 HA LEU 123 HA LEU 123 6.592 2.814 3.248 944 HB2 LEU 123 HB2 LEU 123 7.193 0.048 2.387 945 HB3 LEU 123 HB3 LEU 123 5.644 0.717 1.876 946 HG LEU 123 HG LEU 123 7.305 1.011 0.140 947 HD11 LEU 123 HD11 LEU 123 7.335 3.761 0.626 948 HD12 LEU 123 HD12 LEU 123 5.874 3.159 1.407 949 HD13 LEU 123 HD13 LEU 123 6.148 2.849 -0.307 950 HD21 LEU 123 HD21 LEU 123 9.105 1.319 2.171 951 HD22 LEU 123 HD22 LEU 123 8.930 2.971 1.579 952 HD23 LEU 123 HD23 LEU 123 9.414 1.685 0.473 953 H GLU 124 H GLU 124 5.981 -0.325 4.796 954 HA GLU 124 HA GLU 124 4.140 -1.183 5.831 955 HB2 GLU 124 HB2 GLU 124 4.777 0.708 7.356 956 HB3 GLU 124 HB3 GLU 124 3.576 1.698 6.539 957 HG2 GLU 124 HG2 GLU 124 1.839 0.677 7.550 958 HG3 GLU 124 HG3 GLU 124 2.635 -0.895 7.577 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -0.425 0.494 1.227 2 HA MET 1 HA MET 1 0.655 1.095 -1.375 3 HB2 MET 1 HB2 MET 1 -1.288 2.882 -0.058 4 HB3 MET 1 HB3 MET 1 0.173 3.668 -0.642 5 HG2 MET 1 HG2 MET 1 -0.868 3.806 -2.597 6 HG3 MET 1 HG3 MET 1 -0.541 2.082 -2.758 7 HE1 MET 1 HE1 MET 1 -4.208 4.183 -3.144 8 HE2 MET 1 HE2 MET 1 -2.546 4.308 -3.722 9 HE3 MET 1 HE3 MET 1 -3.613 3.062 -4.369 10 H SER 2 H SER 2 2.583 2.362 -1.278 11 HA SER 2 HA SER 2 4.200 1.824 0.950 12 HB2 SER 2 HB2 SER 2 5.099 4.093 -0.668 13 HB3 SER 2 HB3 SER 2 5.874 2.534 -0.385 14 HG SER 2 HG SER 2 4.720 1.656 -2.039 15 H GLN 3 H GLN 3 5.623 4.051 1.577 16 HA GLN 3 HA GLN 3 3.642 5.666 3.032 17 HB2 GLN 3 HB2 GLN 3 5.861 4.254 3.959 18 HB3 GLN 3 HB3 GLN 3 6.376 5.935 3.968 19 HG2 GLN 3 HG2 GLN 3 3.932 6.155 5.098 20 HG3 GLN 3 HG3 GLN 3 4.408 4.548 5.645 21 HE21 GLN 3 HE21 GLN 3 5.641 7.858 5.383 22 HE22 GLN 3 HE22 GLN 3 6.532 7.829 6.863 23 H ASN 4 H ASN 4 3.551 7.816 2.753 24 HA ASN 4 HA ASN 4 5.265 8.987 0.714 25 HB2 ASN 4 HB2 ASN 4 3.093 10.503 2.114 26 HB3 ASN 4 HB3 ASN 4 3.643 10.629 0.445 27 HD21 ASN 4 HD21 ASN 4 1.784 8.719 2.709 28 HD22 ASN 4 HD22 ASN 4 0.835 7.891 1.526 29 H ARG 5 H ARG 5 7.120 8.801 2.269 30 HA ARG 5 HA ARG 5 7.536 11.370 3.519 31 HB2 ARG 5 HB2 ARG 5 6.477 10.114 5.339 32 HB3 ARG 5 HB3 ARG 5 7.675 8.838 5.164 33 HG2 ARG 5 HG2 ARG 5 9.431 10.538 5.718 34 HG3 ARG 5 HG3 ARG 5 8.122 11.656 6.108 35 HD2 ARG 5 HD2 ARG 5 8.260 8.935 7.358 36 HD3 ARG 5 HD3 ARG 5 9.190 10.283 8.012 37 HE ARG 5 HE ARG 5 6.355 9.876 8.213 38 HH11 ARG 5 HH11 ARG 5 8.911 12.239 8.234 39 HH12 ARG 5 HH12 ARG 5 8.009 13.398 9.154 40 HH21 ARG 5 HH21 ARG 5 5.157 11.392 9.425 41 HH22 ARG 5 HH22 ARG 5 5.874 12.915 9.831 42 H GLN 6 H GLN 6 9.096 8.223 4.051 43 HA GLN 6 HA GLN 6 11.415 9.168 2.516 44 HB2 GLN 6 HB2 GLN 6 12.922 8.808 4.208 45 HB3 GLN 6 HB3 GLN 6 11.530 9.321 5.151 46 HG2 GLN 6 HG2 GLN 6 12.447 6.495 4.681 47 HG3 GLN 6 HG3 GLN 6 12.551 7.409 6.185 48 HE21 GLN 6 HE21 GLN 6 11.104 4.889 5.210 49 HE22 GLN 6 HE22 GLN 6 9.495 5.098 5.802 50 H LEU 7 H LEU 7 12.791 7.491 1.707 51 HA LEU 7 HA LEU 7 11.375 4.929 1.405 52 HB2 LEU 7 HB2 LEU 7 12.978 6.611 -0.411 53 HB3 LEU 7 HB3 LEU 7 13.233 4.872 -0.549 54 HG LEU 7 HG LEU 7 11.505 6.026 -2.087 55 HD11 LEU 7 HD11 LEU 7 9.914 3.957 -1.550 56 HD12 LEU 7 HD12 LEU 7 11.329 3.459 -0.624 57 HD13 LEU 7 HD13 LEU 7 11.474 3.776 -2.353 58 HD21 LEU 7 HD21 LEU 7 10.455 7.050 0.104 59 HD22 LEU 7 HD22 LEU 7 9.581 5.518 0.125 60 HD23 LEU 7 HD23 LEU 7 9.446 6.591 -1.269 61 H LEU 8 H LEU 8 12.248 3.155 2.244 62 HA LEU 8 HA LEU 8 14.476 3.144 3.889 63 HB2 LEU 8 HB2 LEU 8 12.582 1.257 2.927 64 HB3 LEU 8 HB3 LEU 8 14.188 0.547 2.772 65 HG LEU 8 HG LEU 8 12.873 1.544 5.295 66 HD11 LEU 8 HD11 LEU 8 12.016 -0.561 4.939 67 HD12 LEU 8 HD12 LEU 8 13.460 -0.926 5.883 68 HD13 LEU 8 HD13 LEU 8 13.476 -1.138 4.132 69 HD21 LEU 8 HD21 LEU 8 15.672 1.259 4.623 70 HD22 LEU 8 HD22 LEU 8 15.210 0.201 5.956 71 HD23 LEU 8 HD23 LEU 8 14.922 1.937 6.068 72 H TYR 9 H TYR 9 14.351 1.393 0.787 73 HA TYR 9 HA TYR 9 16.709 2.540 -0.260 74 HB2 TYR 9 HB2 TYR 9 17.906 0.144 -0.073 75 HB3 TYR 9 HB3 TYR 9 18.163 1.432 1.098 76 HD1 TYR 9 HD1 TYR 9 15.510 -1.156 0.564 77 HD2 TYR 9 HD2 TYR 9 18.271 0.643 3.255 78 HE1 TYR 9 HE1 TYR 9 14.718 -2.640 2.359 79 HE2 TYR 9 HE2 TYR 9 17.488 -0.836 5.057 80 HH TYR 9 HH TYR 9 15.544 -3.554 4.491 81 HA PRO 10 HA PRO 10 13.948 0.148 -3.135 82 HB2 PRO 10 HB2 PRO 10 13.577 2.204 -4.868 83 HB3 PRO 10 HB3 PRO 10 12.564 1.956 -3.441 84 HG2 PRO 10 HG2 PRO 10 14.872 3.824 -3.824 85 HG3 PRO 10 HG3 PRO 10 13.312 4.121 -3.037 86 HD2 PRO 10 HD2 PRO 10 15.572 3.601 -1.640 87 HD3 PRO 10 HD3 PRO 10 13.965 3.102 -1.075 88 H ARG 11 H ARG 11 15.116 -1.158 -4.389 89 HA ARG 11 HA ARG 11 16.484 -0.325 -6.673 90 HB2 ARG 11 HB2 ARG 11 18.829 -1.018 -5.887 91 HB3 ARG 11 HB3 ARG 11 18.246 0.574 -5.419 92 HG2 ARG 11 HG2 ARG 11 18.030 0.001 -3.212 93 HG3 ARG 11 HG3 ARG 11 17.809 -1.714 -3.567 94 HD2 ARG 11 HD2 ARG 11 20.283 -1.504 -4.444 95 HD3 ARG 11 HD3 ARG 11 20.316 -0.118 -3.355 96 HE ARG 11 HE ARG 11 19.271 -2.407 -2.048 97 HH11 ARG 11 HH11 ARG 11 22.245 -0.986 -3.166 98 HH12 ARG 11 HH12 ARG 11 23.226 -1.792 -1.987 99 HH21 ARG 11 HH21 ARG 11 20.551 -3.474 -0.491 100 HH22 ARG 11 HH22 ARG 11 22.261 -3.208 -0.466 101 H GLU 12 H GLU 12 16.119 -2.725 -4.145 102 HA GLU 12 HA GLU 12 17.188 -4.968 -5.351 103 HB2 GLU 12 HB2 GLU 12 15.864 -4.528 -3.044 104 HB3 GLU 12 HB3 GLU 12 14.603 -5.349 -3.954 105 HG2 GLU 12 HG2 GLU 12 15.596 -7.134 -2.960 106 HG3 GLU 12 HG3 GLU 12 16.533 -7.061 -4.451 107 H GLU 13 H GLU 13 14.232 -3.276 -6.072 108 HA GLU 13 HA GLU 13 13.265 -5.400 -7.808 109 HB2 GLU 13 HB2 GLU 13 11.337 -3.925 -8.183 110 HB3 GLU 13 HB3 GLU 13 11.634 -4.181 -6.470 111 HG2 GLU 13 HG2 GLU 13 11.366 -1.958 -6.366 112 HG3 GLU 13 HG3 GLU 13 13.061 -1.939 -6.851 113 H MET 14 H MET 14 14.580 -2.131 -8.053 114 HA MET 14 HA MET 14 14.227 -1.618 -10.735 115 HB2 MET 14 HB2 MET 14 16.252 -0.816 -8.713 116 HB3 MET 14 HB3 MET 14 16.641 -0.509 -10.401 117 HG2 MET 14 HG2 MET 14 14.010 0.353 -9.284 118 HG3 MET 14 HG3 MET 14 15.459 1.315 -9.003 119 HE1 MET 14 HE1 MET 14 12.629 0.524 -10.791 120 HE2 MET 14 HE2 MET 14 12.579 1.787 -12.022 121 HE3 MET 14 HE3 MET 14 13.104 0.159 -12.450 122 H VAL 15 H VAL 15 16.781 -3.523 -9.191 123 HA VAL 15 HA VAL 15 18.234 -4.034 -11.578 124 HB VAL 15 HB VAL 15 19.393 -5.771 -10.303 125 HG11 VAL 15 HG11 VAL 15 20.180 -3.535 -9.993 126 HG12 VAL 15 HG12 VAL 15 18.909 -3.194 -8.817 127 HG13 VAL 15 HG13 VAL 15 20.194 -4.336 -8.422 128 HG21 VAL 15 HG21 VAL 15 16.999 -5.558 -8.616 129 HG22 VAL 15 HG22 VAL 15 18.082 -6.923 -8.886 130 HG23 VAL 15 HG23 VAL 15 18.522 -5.664 -7.733 131 H SER 16 H SER 16 15.511 -5.564 -10.021 132 HA SER 16 HA SER 16 15.566 -8.080 -11.196 133 HB2 SER 16 HB2 SER 16 13.891 -6.885 -9.474 134 HB3 SER 16 HB3 SER 16 12.914 -6.761 -10.936 135 HG SER 16 HG SER 16 12.847 -8.769 -9.491 136 H LEU 17 H LEU 17 14.046 -5.099 -12.398 137 HA LEU 17 HA LEU 17 12.969 -6.145 -14.750 138 HB2 LEU 17 HB2 LEU 17 14.050 -3.367 -14.301 139 HB3 LEU 17 HB3 LEU 17 12.922 -3.852 -15.565 140 HG LEU 17 HG LEU 17 11.425 -2.967 -14.120 141 HD11 LEU 17 HD11 LEU 17 11.748 -5.557 -12.635 142 HD12 LEU 17 HD12 LEU 17 11.070 -5.475 -14.261 143 HD13 LEU 17 HD13 LEU 17 10.274 -4.635 -12.931 144 HD21 LEU 17 HD21 LEU 17 12.324 -2.017 -12.319 145 HD22 LEU 17 HD22 LEU 17 13.631 -3.200 -12.259 146 HD23 LEU 17 HD23 LEU 17 12.084 -3.557 -11.492 147 H VAL 18 H VAL 18 15.906 -4.127 -14.553 148 HA VAL 18 HA VAL 18 16.861 -4.567 -17.096 149 HB VAL 18 HB VAL 18 17.825 -2.945 -15.482 150 HG11 VAL 18 HG11 VAL 18 17.936 -4.389 -13.525 151 HG12 VAL 18 HG12 VAL 18 19.161 -5.385 -14.313 152 HG13 VAL 18 HG13 VAL 18 19.523 -3.711 -13.890 153 HG21 VAL 18 HG21 VAL 18 20.087 -4.658 -16.407 154 HG22 VAL 18 HG22 VAL 18 18.990 -3.957 -17.597 155 HG23 VAL 18 HG23 VAL 18 19.889 -2.908 -16.501 156 H ARG 19 H ARG 19 17.072 -6.649 -14.291 157 HA ARG 19 HA ARG 19 19.022 -8.429 -15.358 158 HB2 ARG 19 HB2 ARG 19 17.118 -8.495 -13.052 159 HB3 ARG 19 HB3 ARG 19 17.907 -9.985 -13.552 160 HG2 ARG 19 HG2 ARG 19 19.669 -7.650 -13.208 161 HG3 ARG 19 HG3 ARG 19 18.926 -8.289 -11.741 162 HD2 ARG 19 HD2 ARG 19 20.374 -10.017 -13.735 163 HD3 ARG 19 HD3 ARG 19 21.179 -9.254 -12.364 164 HE ARG 19 HE ARG 19 19.471 -11.554 -12.302 165 HH11 ARG 19 HH11 ARG 19 20.663 -8.848 -10.464 166 HH12 ARG 19 HH12 ARG 19 20.410 -9.612 -8.929 167 HH21 ARG 19 HH21 ARG 19 19.133 -12.570 -10.288 168 HH22 ARG 19 HH22 ARG 19 19.540 -11.729 -8.831 169 H SER 20 H SER 20 15.497 -8.348 -15.347 170 HA SER 20 HA SER 20 15.010 -10.916 -16.340 171 HB2 SER 20 HB2 SER 20 12.811 -10.223 -16.685 172 HB3 SER 20 HB3 SER 20 13.365 -9.092 -15.451 173 HG SER 20 HG SER 20 12.741 -8.654 -18.117 174 H LEU 21 H LEU 21 15.951 -7.959 -17.953 175 HA LEU 21 HA LEU 21 15.735 -9.279 -20.565 176 HB2 LEU 21 HB2 LEU 21 15.876 -7.119 -21.554 177 HB3 LEU 21 HB3 LEU 21 14.694 -7.044 -20.249 178 HG LEU 21 HG LEU 21 17.197 -6.264 -19.174 179 HD11 LEU 21 HD11 LEU 21 17.370 -5.822 -21.834 180 HD12 LEU 21 HD12 LEU 21 18.161 -4.830 -20.610 181 HD13 LEU 21 HD13 LEU 21 16.621 -4.317 -21.299 182 HD21 LEU 21 HD21 LEU 21 15.364 -5.336 -18.163 183 HD22 LEU 21 HD22 LEU 21 14.529 -5.048 -19.689 184 HD23 LEU 21 HD23 LEU 21 15.859 -3.997 -19.201 185 H ASP 22 H ASP 22 17.522 -8.866 -22.118 186 HA ASP 22 HA ASP 22 20.077 -8.033 -21.368 187 HB2 ASP 22 HB2 ASP 22 19.550 -10.337 -20.042 188 HB3 ASP 22 HB3 ASP 22 20.245 -10.981 -21.527 189 H ARG 23 H ARG 23 18.649 -7.591 -23.594 190 HA ARG 23 HA ARG 23 20.059 -9.169 -25.645 191 HB2 ARG 23 HB2 ARG 23 18.060 -8.543 -27.127 192 HB3 ARG 23 HB3 ARG 23 17.817 -9.796 -25.918 193 HG2 ARG 23 HG2 ARG 23 17.206 -7.216 -24.814 194 HG3 ARG 23 HG3 ARG 23 16.302 -7.485 -26.306 195 HD2 ARG 23 HD2 ARG 23 15.182 -8.263 -24.183 196 HD3 ARG 23 HD3 ARG 23 15.321 -9.465 -25.466 197 HE ARG 23 HE ARG 23 17.546 -9.723 -23.804 198 HH11 ARG 23 HH11 ARG 23 14.093 -10.143 -23.662 199 HH12 ARG 23 HH12 ARG 23 14.163 -11.387 -22.458 200 HH21 ARG 23 HH21 ARG 23 17.651 -11.361 -22.220 201 HH22 ARG 23 HH22 ARG 23 16.187 -12.078 -21.638 202 HA PRO 24 HA PRO 24 21.151 -4.630 -25.928 203 HB2 PRO 24 HB2 PRO 24 23.839 -5.010 -25.926 204 HB3 PRO 24 HB3 PRO 24 22.894 -4.826 -24.444 205 HG2 PRO 24 HG2 PRO 24 23.900 -7.324 -25.751 206 HG3 PRO 24 HG3 PRO 24 23.895 -6.884 -24.034 207 HD2 PRO 24 HD2 PRO 24 22.052 -8.545 -25.116 208 HD3 PRO 24 HD3 PRO 24 21.680 -7.459 -23.762 209 H GLN 25 H GLN 25 20.159 -5.170 -28.077 210 HA GLN 25 HA GLN 25 21.659 -6.306 -30.170 211 HB2 GLN 25 HB2 GLN 25 19.374 -4.331 -30.247 212 HB3 GLN 25 HB3 GLN 25 20.019 -5.153 -31.661 213 HG2 GLN 25 HG2 GLN 25 19.460 -7.147 -29.759 214 HG3 GLN 25 HG3 GLN 25 18.076 -6.055 -29.777 215 HE21 GLN 25 HE21 GLN 25 20.303 -7.196 -32.291 216 HE22 GLN 25 HE22 GLN 25 19.075 -7.804 -33.343 217 H GLU 26 H GLU 26 21.073 -2.895 -29.330 218 HA GLU 26 HA GLU 26 22.907 -1.945 -31.325 219 HB2 GLU 26 HB2 GLU 26 20.977 -0.798 -29.489 220 HB3 GLU 26 HB3 GLU 26 22.473 0.124 -29.502 221 HG2 GLU 26 HG2 GLU 26 21.393 1.174 -31.190 222 HG3 GLU 26 HG3 GLU 26 22.171 -0.108 -32.117 223 H ASN 27 H ASN 27 22.923 -2.089 -27.770 224 HA ASN 27 HA ASN 27 24.607 -1.899 -26.246 225 HB2 ASN 27 HB2 ASN 27 25.149 -4.074 -27.385 226 HB3 ASN 27 HB3 ASN 27 26.284 -3.193 -28.404 227 HD21 ASN 27 HD21 ASN 27 25.501 -3.911 -25.039 228 HD22 ASN 27 HD22 ASN 27 27.128 -3.848 -24.461 229 H GLY 28 H GLY 28 24.310 0.500 -27.087 230 HA2 GLY 28 HA2 GLY 28 26.956 1.614 -27.124 231 HA3 GLY 28 HA3 GLY 28 26.113 1.837 -28.649 232 H LEU 29 H LEU 29 23.498 2.170 -27.570 233 HA LEU 29 HA LEU 29 23.496 4.265 -25.632 234 HB2 LEU 29 HB2 LEU 29 24.360 5.304 -27.823 235 HB3 LEU 29 HB3 LEU 29 22.700 5.133 -28.389 236 HG LEU 29 HG LEU 29 23.375 6.642 -25.879 237 HD11 LEU 29 HD11 LEU 29 23.400 7.605 -28.726 238 HD12 LEU 29 HD12 LEU 29 24.656 7.774 -27.500 239 HD13 LEU 29 HD13 LEU 29 23.154 8.687 -27.355 240 HD21 LEU 29 HD21 LEU 29 20.981 6.045 -27.424 241 HD22 LEU 29 HD22 LEU 29 21.191 7.769 -27.116 242 HD23 LEU 29 HD23 LEU 29 21.146 6.632 -25.768 243 H PHE 30 H PHE 30 21.819 2.644 -28.277 244 HA PHE 30 HA PHE 30 19.196 3.348 -27.482 245 HB2 PHE 30 HB2 PHE 30 20.433 1.495 -29.407 246 HB3 PHE 30 HB3 PHE 30 18.860 0.983 -28.806 247 HD1 PHE 30 HD1 PHE 30 20.544 4.028 -30.148 248 HD2 PHE 30 HD2 PHE 30 16.987 1.701 -29.921 249 HE1 PHE 30 HE1 PHE 30 19.447 5.556 -31.734 250 HE2 PHE 30 HE2 PHE 30 15.885 3.225 -31.508 251 HZ PHE 30 HZ PHE 30 17.115 5.154 -32.417 252 H SER 31 H SER 31 21.464 1.287 -26.093 253 HA SER 31 HA SER 31 19.472 0.257 -24.245 254 HB2 SER 31 HB2 SER 31 21.301 -1.579 -25.811 255 HB3 SER 31 HB3 SER 31 20.291 -2.074 -24.453 256 HG SER 31 HG SER 31 19.616 -1.632 -27.062 257 H GLN 32 H GLN 32 21.802 2.109 -24.253 258 HA GLN 32 HA GLN 32 22.995 1.159 -21.808 259 HB2 GLN 32 HB2 GLN 32 24.337 0.670 -24.249 260 HB3 GLN 32 HB3 GLN 32 25.200 1.978 -23.451 261 HG2 GLN 32 HG2 GLN 32 26.248 0.034 -22.710 262 HG3 GLN 32 HG3 GLN 32 25.194 0.508 -21.379 263 HE21 GLN 32 HE21 GLN 32 24.646 -1.242 -24.415 264 HE22 GLN 32 HE22 GLN 32 23.938 -2.637 -23.683 265 H ASP 33 H ASP 33 24.871 2.850 -21.231 266 HA ASP 33 HA ASP 33 23.610 5.483 -21.534 267 HB2 ASP 33 HB2 ASP 33 25.528 4.395 -19.468 268 HB3 ASP 33 HB3 ASP 33 25.048 6.088 -19.550 269 H VAL 34 H VAL 34 24.451 6.660 -23.123 270 HA VAL 34 HA VAL 34 26.901 6.273 -24.376 271 HB VAL 34 HB VAL 34 25.098 7.600 -25.371 272 HG11 VAL 34 HG11 VAL 34 24.494 8.749 -23.210 273 HG12 VAL 34 HG12 VAL 34 25.865 9.824 -23.493 274 HG13 VAL 34 HG13 VAL 34 24.525 9.781 -24.639 275 HG21 VAL 34 HG21 VAL 34 27.845 8.152 -25.459 276 HG22 VAL 34 HG22 VAL 34 26.630 8.544 -26.675 277 HG23 VAL 34 HG23 VAL 34 27.038 9.719 -25.425 278 H LEU 35 H LEU 35 26.128 7.995 -21.458 279 HA LEU 35 HA LEU 35 28.433 9.617 -21.294 280 HB2 LEU 35 HB2 LEU 35 26.155 9.398 -19.859 281 HB3 LEU 35 HB3 LEU 35 27.291 8.598 -18.775 282 HG LEU 35 HG LEU 35 26.984 10.969 -18.224 283 HD11 LEU 35 HD11 LEU 35 29.224 11.422 -17.812 284 HD12 LEU 35 HD12 LEU 35 29.756 10.668 -19.315 285 HD13 LEU 35 HD13 LEU 35 29.193 9.667 -17.977 286 HD21 LEU 35 HD21 LEU 35 27.675 12.718 -19.686 287 HD22 LEU 35 HD22 LEU 35 26.558 11.690 -20.584 288 HD23 LEU 35 HD23 LEU 35 28.294 11.566 -20.870 289 H LEU 36 H LEU 36 27.973 6.257 -20.903 290 HA LEU 36 HA LEU 36 30.446 5.953 -19.363 291 HB2 LEU 36 HB2 LEU 36 28.187 4.108 -20.054 292 HB3 LEU 36 HB3 LEU 36 29.730 3.479 -19.479 293 HG LEU 36 HG LEU 36 29.425 4.880 -17.418 294 HD11 LEU 36 HD11 LEU 36 27.108 5.746 -18.932 295 HD12 LEU 36 HD12 LEU 36 27.866 6.464 -17.511 296 HD13 LEU 36 HD13 LEU 36 26.681 5.172 -17.319 297 HD21 LEU 36 HD21 LEU 36 28.956 2.489 -17.429 298 HD22 LEU 36 HD22 LEU 36 27.317 2.802 -18.001 299 HD23 LEU 36 HD23 LEU 36 27.811 3.348 -16.398 300 H GLN 37 H GLN 37 30.268 6.768 -22.238 301 HA GLN 37 HA GLN 37 31.610 4.496 -23.519 302 HB2 GLN 37 HB2 GLN 37 30.610 7.067 -24.756 303 HB3 GLN 37 HB3 GLN 37 31.251 5.678 -25.623 304 HG2 GLN 37 HG2 GLN 37 28.795 5.568 -23.895 305 HG3 GLN 37 HG3 GLN 37 28.761 5.890 -25.628 306 HE21 GLN 37 HE21 GLN 37 27.387 3.776 -24.648 307 HE22 GLN 37 HE22 GLN 37 28.150 2.297 -25.111 308 H TYR 38 H TYR 38 32.006 8.012 -23.884 309 HA TYR 38 HA TYR 38 34.697 7.974 -22.893 310 HB2 TYR 38 HB2 TYR 38 34.155 7.892 -25.824 311 HB3 TYR 38 HB3 TYR 38 35.464 8.922 -25.254 312 HD1 TYR 38 HD1 TYR 38 36.718 7.447 -23.140 313 HD2 TYR 38 HD2 TYR 38 35.047 5.986 -26.771 314 HE1 TYR 38 HE1 TYR 38 38.212 5.496 -23.036 315 HE2 TYR 38 HE2 TYR 38 36.536 4.030 -26.676 316 HH TYR 38 HH TYR 38 38.879 3.553 -25.558 317 HA PRO 39 HA PRO 39 33.840 12.230 -22.250 318 HB2 PRO 39 HB2 PRO 39 36.337 13.292 -22.323 319 HB3 PRO 39 HB3 PRO 39 35.753 12.302 -20.980 320 HG2 PRO 39 HG2 PRO 39 37.478 11.521 -23.299 321 HG3 PRO 39 HG3 PRO 39 37.641 11.088 -21.587 322 HD2 PRO 39 HD2 PRO 39 36.571 9.406 -23.419 323 HD3 PRO 39 HD3 PRO 39 36.045 9.432 -21.723 324 H GLU 40 H GLU 40 32.789 12.222 -24.465 325 HA GLU 40 HA GLU 40 33.732 14.449 -25.949 326 HB2 GLU 40 HB2 GLU 40 33.941 13.150 -28.139 327 HB3 GLU 40 HB3 GLU 40 35.283 13.033 -27.008 328 HG2 GLU 40 HG2 GLU 40 33.552 10.940 -26.346 329 HG3 GLU 40 HG3 GLU 40 33.636 10.959 -28.106 330 H LEU 41 H LEU 41 31.665 11.599 -25.847 331 HA LEU 41 HA LEU 41 29.612 13.015 -27.388 332 HB2 LEU 41 HB2 LEU 41 28.461 10.767 -27.324 333 HB3 LEU 41 HB3 LEU 41 29.958 10.861 -28.250 334 HG LEU 41 HG LEU 41 29.519 8.796 -26.760 335 HD11 LEU 41 HD11 LEU 41 31.843 10.136 -27.611 336 HD12 LEU 41 HD12 LEU 41 31.655 8.427 -27.218 337 HD13 LEU 41 HD13 LEU 41 32.154 9.569 -25.970 338 HD21 LEU 41 HD21 LEU 41 30.246 9.000 -24.465 339 HD22 LEU 41 HD22 LEU 41 28.895 10.096 -24.757 340 HD23 LEU 41 HD23 LEU 41 30.541 10.726 -24.679 341 H ALA 42 H ALA 42 30.494 13.073 -24.350 342 HA ALA 42 HA ALA 42 28.405 12.248 -22.741 343 HB1 ALA 42 HB1 ALA 42 30.371 14.490 -22.520 344 HB2 ALA 42 HB2 ALA 42 29.106 14.289 -21.308 345 HB3 ALA 42 HB3 ALA 42 30.269 12.995 -21.590 346 H GLU 43 H GLU 43 28.576 14.970 -24.905 347 HA GLU 43 HA GLU 43 26.411 16.455 -23.848 348 HB2 GLU 43 HB2 GLU 43 27.451 16.386 -26.686 349 HB3 GLU 43 HB3 GLU 43 26.415 17.628 -25.998 350 HG2 GLU 43 HG2 GLU 43 28.151 18.337 -24.507 351 HG3 GLU 43 HG3 GLU 43 29.180 16.992 -24.998 352 H SER 44 H SER 44 26.629 13.797 -26.122 353 HA SER 44 HA SER 44 24.051 13.944 -27.214 354 HB2 SER 44 HB2 SER 44 24.588 12.001 -28.268 355 HB3 SER 44 HB3 SER 44 26.203 12.357 -27.658 356 HG SER 44 HG SER 44 25.562 11.083 -25.770 357 H TYR 45 H TYR 45 25.205 12.750 -24.160 358 HA TYR 45 HA TYR 45 23.206 11.028 -23.374 359 HB2 TYR 45 HB2 TYR 45 25.191 11.445 -22.017 360 HB3 TYR 45 HB3 TYR 45 24.647 13.086 -21.687 361 HD1 TYR 45 HD1 TYR 45 22.778 13.492 -20.158 362 HD2 TYR 45 HD2 TYR 45 24.224 9.555 -20.871 363 HE1 TYR 45 HE1 TYR 45 21.576 12.696 -18.165 364 HE2 TYR 45 HE2 TYR 45 23.025 8.748 -18.880 365 HH TYR 45 HH TYR 45 21.655 9.273 -17.217 366 H THR 46 H THR 46 23.285 14.540 -22.752 367 HA THR 46 HA THR 46 20.635 14.654 -21.758 368 HB THR 46 HB THR 46 22.141 16.404 -21.130 369 HG1 THR 46 HG1 THR 46 20.606 17.861 -21.259 370 HG21 THR 46 HG21 THR 46 22.969 18.041 -22.840 371 HG22 THR 46 HG22 THR 46 22.403 16.933 -24.089 372 HG23 THR 46 HG23 THR 46 23.671 16.428 -22.971 373 H LYS 47 H LYS 47 22.026 14.966 -24.955 374 HA LYS 47 HA LYS 47 19.932 16.184 -26.315 375 HB2 LYS 47 HB2 LYS 47 22.355 14.969 -26.994 376 HB3 LYS 47 HB3 LYS 47 21.139 14.067 -27.888 377 HG2 LYS 47 HG2 LYS 47 21.500 17.056 -27.957 378 HG3 LYS 47 HG3 LYS 47 22.049 15.920 -29.192 379 HD2 LYS 47 HD2 LYS 47 19.876 15.414 -29.864 380 HD3 LYS 47 HD3 LYS 47 19.170 16.012 -28.361 381 HE2 LYS 47 HE2 LYS 47 18.639 17.694 -29.854 382 HE3 LYS 47 HE3 LYS 47 20.125 18.301 -29.125 383 HZ1 LYS 47 HZ1 LYS 47 21.324 17.909 -31.019 384 HZ2 LYS 47 HZ2 LYS 47 19.824 18.313 -31.692 385 HZ3 LYS 47 HZ3 LYS 47 20.289 16.691 -31.575 386 H VAL 48 H VAL 48 20.223 12.949 -25.089 387 HA VAL 48 HA VAL 48 17.623 12.276 -26.307 388 HB VAL 48 HB VAL 48 19.608 10.865 -27.016 389 HG11 VAL 48 HG11 VAL 48 19.336 9.550 -24.335 390 HG12 VAL 48 HG12 VAL 48 20.603 9.350 -25.546 391 HG13 VAL 48 HG13 VAL 48 20.505 10.841 -24.608 392 HG21 VAL 48 HG21 VAL 48 17.060 10.236 -26.885 393 HG22 VAL 48 HG22 VAL 48 18.272 9.018 -27.284 394 HG23 VAL 48 HG23 VAL 48 17.622 9.113 -25.647 395 H CYS 49 H CYS 49 18.217 13.678 -23.759 396 HA CYS 49 HA CYS 49 17.386 13.748 -21.644 397 HB2 CYS 49 HB2 CYS 49 15.635 11.860 -23.049 398 HB3 CYS 49 HB3 CYS 49 15.680 11.617 -21.307 399 HG CYS 49 HG CYS 49 14.816 14.516 -22.906 400 HA PRO 50 HA PRO 50 19.760 11.063 -19.119 401 HB2 PRO 50 HB2 PRO 50 18.293 10.905 -16.840 402 HB3 PRO 50 HB3 PRO 50 19.169 12.364 -17.320 403 HG2 PRO 50 HG2 PRO 50 16.265 11.708 -17.634 404 HG3 PRO 50 HG3 PRO 50 17.020 13.229 -17.120 405 HD2 PRO 50 HD2 PRO 50 16.102 12.836 -19.637 406 HD3 PRO 50 HD3 PRO 50 17.504 13.865 -19.282 407 H ASN 51 H ASN 51 19.325 9.227 -20.598 408 HA ASN 51 HA ASN 51 18.877 7.019 -20.916 409 HB2 ASN 51 HB2 ASN 51 17.873 6.937 -18.070 410 HB3 ASN 51 HB3 ASN 51 18.531 5.610 -19.022 411 HD21 ASN 51 HD21 ASN 51 20.761 6.801 -20.103 412 HD22 ASN 51 HD22 ASN 51 21.880 7.170 -18.839 413 H ARG 52 H ARG 52 17.259 6.897 -22.354 414 HA ARG 52 HA ARG 52 14.517 6.823 -21.298 415 HB2 ARG 52 HB2 ARG 52 15.170 8.988 -22.556 416 HB3 ARG 52 HB3 ARG 52 15.124 7.987 -24.001 417 HG2 ARG 52 HG2 ARG 52 12.816 7.529 -23.718 418 HG3 ARG 52 HG3 ARG 52 12.813 8.224 -22.096 419 HD2 ARG 52 HD2 ARG 52 11.810 9.772 -23.666 420 HD3 ARG 52 HD3 ARG 52 13.330 10.426 -23.059 421 HE ARG 52 HE ARG 52 13.587 8.988 -25.537 422 HH11 ARG 52 HH11 ARG 52 12.897 12.065 -24.061 423 HH12 ARG 52 HH12 ARG 52 13.350 12.984 -25.458 424 HH21 ARG 52 HH21 ARG 52 14.186 10.187 -27.383 425 HH22 ARG 52 HH22 ARG 52 14.082 11.914 -27.347 426 H CYS 53 H CYS 53 16.309 4.655 -21.850 427 HA CYS 53 HA CYS 53 15.118 3.459 -24.257 428 HB2 CYS 53 HB2 CYS 53 17.582 2.659 -22.695 429 HB3 CYS 53 HB3 CYS 53 16.968 1.811 -24.109 430 HG CYS 53 HG CYS 53 19.064 4.282 -24.000 431 H ASP 54 H ASP 54 16.425 2.013 -21.288 432 HA ASP 54 HA ASP 54 14.017 1.187 -20.155 433 HB2 ASP 54 HB2 ASP 54 14.915 -0.447 -22.407 434 HB3 ASP 54 HB3 ASP 54 14.691 -1.379 -20.929 435 H LEU 55 H LEU 55 16.857 -0.837 -20.839 436 HA LEU 55 HA LEU 55 17.251 -1.464 -18.101 437 HB2 LEU 55 HB2 LEU 55 19.389 -2.465 -18.901 438 HB3 LEU 55 HB3 LEU 55 17.946 -3.040 -19.734 439 HG LEU 55 HG LEU 55 19.314 -0.797 -21.051 440 HD11 LEU 55 HD11 LEU 55 20.723 -3.329 -20.401 441 HD12 LEU 55 HD12 LEU 55 21.359 -1.697 -20.606 442 HD13 LEU 55 HD13 LEU 55 20.922 -2.656 -22.020 443 HD21 LEU 55 HD21 LEU 55 18.771 -3.403 -22.349 444 HD22 LEU 55 HD22 LEU 55 18.493 -1.762 -22.933 445 HD23 LEU 55 HD23 LEU 55 17.381 -2.484 -21.770 446 H ALA 56 H ALA 56 18.688 0.881 -20.291 447 HA ALA 56 HA ALA 56 20.818 1.675 -18.603 448 HB1 ALA 56 HB1 ALA 56 19.841 2.364 -21.172 449 HB2 ALA 56 HB2 ALA 56 20.013 3.853 -20.241 450 HB3 ALA 56 HB3 ALA 56 21.393 2.773 -20.441 451 H THR 57 H THR 57 17.450 2.560 -18.791 452 HA THR 57 HA THR 57 17.715 4.902 -17.140 453 HB THR 57 HB THR 57 15.242 3.369 -17.965 454 HG1 THR 57 HG1 THR 57 16.533 4.465 -19.638 455 HG21 THR 57 HG21 THR 57 15.507 6.111 -16.726 456 HG22 THR 57 HG22 THR 57 14.876 4.675 -15.922 457 HG23 THR 57 HG23 THR 57 14.009 5.372 -17.291 458 H ALA 58 H ALA 58 16.593 1.572 -16.693 459 HA ALA 58 HA ALA 58 15.856 1.921 -13.962 460 HB1 ALA 58 HB1 ALA 58 16.232 -0.748 -14.173 461 HB2 ALA 58 HB2 ALA 58 14.767 0.090 -14.688 462 HB3 ALA 58 HB3 ALA 58 16.014 -0.313 -15.868 463 H ALA 59 H ALA 59 18.686 0.482 -15.566 464 HA ALA 59 HA ALA 59 20.052 -0.272 -13.231 465 HB1 ALA 59 HB1 ALA 59 21.130 0.439 -15.955 466 HB2 ALA 59 HB2 ALA 59 22.061 -0.333 -14.671 467 HB3 ALA 59 HB3 ALA 59 20.679 -1.167 -15.380 468 H ASP 60 H ASP 60 19.975 2.752 -15.032 469 HA ASP 60 HA ASP 60 22.109 4.003 -13.638 470 HB2 ASP 60 HB2 ASP 60 21.516 4.907 -15.758 471 HB3 ASP 60 HB3 ASP 60 19.828 5.084 -15.289 472 H ARG 61 H ARG 61 18.596 3.997 -13.212 473 HA ARG 61 HA ARG 61 18.344 5.925 -11.246 474 HB2 ARG 61 HB2 ARG 61 16.749 3.762 -12.285 475 HB3 ARG 61 HB3 ARG 61 16.566 3.859 -10.539 476 HG2 ARG 61 HG2 ARG 61 14.878 5.172 -11.734 477 HG3 ARG 61 HG3 ARG 61 15.897 6.175 -10.700 478 HD2 ARG 61 HD2 ARG 61 16.831 5.842 -13.473 479 HD3 ARG 61 HD3 ARG 61 15.325 6.739 -13.282 480 HE ARG 61 HE ARG 61 17.961 7.603 -12.545 481 HH11 ARG 61 HH11 ARG 61 14.557 7.963 -11.909 482 HH12 ARG 61 HH12 ARG 61 14.714 9.563 -11.262 483 HH21 ARG 61 HH21 ARG 61 18.181 9.709 -11.695 484 HH22 ARG 61 HH22 ARG 61 16.776 10.555 -11.142 485 H ALA 62 H ALA 62 19.185 2.504 -10.906 486 HA ALA 62 HA ALA 62 19.411 2.719 -8.029 487 HB1 ALA 62 HB1 ALA 62 18.648 0.624 -8.606 488 HB2 ALA 62 HB2 ALA 62 19.707 0.508 -10.012 489 HB3 ALA 62 HB3 ALA 62 20.373 0.321 -8.390 490 H ALA 63 H ALA 63 21.554 2.510 -10.821 491 HA ALA 63 HA ALA 63 23.982 2.127 -9.505 492 HB1 ALA 63 HB1 ALA 63 23.166 3.224 -12.134 493 HB2 ALA 63 HB2 ALA 63 24.808 3.565 -11.586 494 HB3 ALA 63 HB3 ALA 63 24.261 1.896 -11.747 495 H LYS 64 H LYS 64 22.167 5.083 -10.146 496 HA LYS 64 HA LYS 64 24.113 6.946 -9.388 497 HB2 LYS 64 HB2 LYS 64 21.103 7.018 -9.344 498 HB3 LYS 64 HB3 LYS 64 22.068 8.394 -8.824 499 HG2 LYS 64 HG2 LYS 64 22.173 7.112 -11.548 500 HG3 LYS 64 HG3 LYS 64 21.332 8.610 -11.143 501 HD2 LYS 64 HD2 LYS 64 24.302 8.112 -10.945 502 HD3 LYS 64 HD3 LYS 64 23.484 9.099 -12.158 503 HE2 LYS 64 HE2 LYS 64 23.600 9.617 -9.189 504 HE3 LYS 64 HE3 LYS 64 24.448 10.516 -10.447 505 HZ1 LYS 64 HZ1 LYS 64 21.578 10.512 -9.790 506 HZ2 LYS 64 HZ2 LYS 64 22.083 10.913 -11.354 507 HZ3 LYS 64 HZ3 LYS 64 22.617 11.825 -10.034 508 H GLY 65 H GLY 65 22.308 4.724 -7.509 509 HA2 GLY 65 HA2 GLY 65 23.285 4.379 -5.247 510 HA3 GLY 65 HA3 GLY 65 23.160 6.121 -5.047 511 H ALA 66 H ALA 66 20.607 4.525 -6.718 512 HA ALA 66 HA ALA 66 18.382 4.347 -6.246 513 HB1 ALA 66 HB1 ALA 66 19.046 2.376 -5.097 514 HB2 ALA 66 HB2 ALA 66 19.597 3.300 -3.698 515 HB3 ALA 66 HB3 ALA 66 17.875 3.203 -4.068 516 H TYR 67 H TYR 67 18.538 6.815 -6.281 517 HA TYR 67 HA TYR 67 18.588 8.433 -4.059 518 HB2 TYR 67 HB2 TYR 67 17.592 8.635 -6.780 519 HB3 TYR 67 HB3 TYR 67 16.594 9.552 -5.656 520 HD1 TYR 67 HD1 TYR 67 20.084 9.095 -6.834 521 HD2 TYR 67 HD2 TYR 67 17.321 11.628 -4.820 522 HE1 TYR 67 HE1 TYR 67 21.742 10.912 -6.855 523 HE2 TYR 67 HE2 TYR 67 18.971 13.452 -4.837 524 HH TYR 67 HH TYR 67 21.706 13.457 -4.967 525 H GLY 68 H GLY 68 17.562 7.935 -2.211 526 HA2 GLY 68 HA2 GLY 68 14.994 6.700 -2.110 527 HA3 GLY 68 HA3 GLY 68 15.872 7.382 -0.749 528 H TYR 69 H TYR 69 13.893 8.216 0.066 529 HA TYR 69 HA TYR 69 12.305 9.811 0.398 530 HB2 TYR 69 HB2 TYR 69 14.601 11.182 -0.791 531 HB3 TYR 69 HB3 TYR 69 13.080 12.031 -1.046 532 HD1 TYR 69 HD1 TYR 69 11.572 11.704 1.341 533 HD2 TYR 69 HD2 TYR 69 15.784 12.153 0.932 534 HE1 TYR 69 HE1 TYR 69 11.692 12.611 3.624 535 HE2 TYR 69 HE2 TYR 69 15.915 13.060 3.214 536 HH TYR 69 HH TYR 69 13.036 13.788 5.070 537 H ASP 70 H ASP 70 10.636 8.771 -0.702 538 HA ASP 70 HA ASP 70 9.872 10.070 -3.210 539 HB2 ASP 70 HB2 ASP 70 10.924 7.534 -3.238 540 HB3 ASP 70 HB3 ASP 70 9.194 7.214 -3.140 541 H VAL 71 H VAL 71 7.893 10.863 -3.019 542 HA VAL 71 HA VAL 71 6.245 10.461 -0.795 543 HB VAL 71 HB VAL 71 6.089 12.451 -2.221 544 HG11 VAL 71 HG11 VAL 71 6.307 11.019 -4.357 545 HG12 VAL 71 HG12 VAL 71 4.554 10.854 -4.237 546 HG13 VAL 71 HG13 VAL 71 5.281 12.453 -4.400 547 HG21 VAL 71 HG21 VAL 71 4.219 12.072 -0.815 548 HG22 VAL 71 HG22 VAL 71 3.570 12.506 -2.397 549 HG23 VAL 71 HG23 VAL 71 3.582 10.820 -1.880 550 H GLN 72 H GLN 72 6.393 8.820 -3.882 551 HA GLN 72 HA GLN 72 4.932 6.590 -2.907 552 HB2 GLN 72 HB2 GLN 72 3.426 8.700 -4.188 553 HB3 GLN 72 HB3 GLN 72 3.313 7.206 -5.109 554 HG2 GLN 72 HG2 GLN 72 2.717 7.458 -2.171 555 HG3 GLN 72 HG3 GLN 72 1.508 7.482 -3.454 556 HE21 GLN 72 HE21 GLN 72 3.809 5.536 -1.715 557 HE22 GLN 72 HE22 GLN 72 3.205 4.002 -2.231 558 H LEU 73 H LEU 73 7.443 6.920 -4.056 559 HA LEU 73 HA LEU 73 8.829 6.078 -5.652 560 HB2 LEU 73 HB2 LEU 73 6.481 4.278 -6.225 561 HB3 LEU 73 HB3 LEU 73 8.151 3.992 -6.708 562 HG LEU 73 HG LEU 73 7.882 2.592 -4.883 563 HD11 LEU 73 HD11 LEU 73 9.459 3.316 -3.399 564 HD12 LEU 73 HD12 LEU 73 8.784 4.941 -3.300 565 HD13 LEU 73 HD13 LEU 73 9.728 4.463 -4.711 566 HD21 LEU 73 HD21 LEU 73 6.585 4.740 -3.236 567 HD22 LEU 73 HD22 LEU 73 6.599 2.997 -2.968 568 HD23 LEU 73 HD23 LEU 73 5.647 3.678 -4.287 569 H THR 74 H THR 74 7.440 8.371 -6.414 570 HA THR 74 HA THR 74 6.327 8.041 -9.041 571 HB THR 74 HB THR 74 7.219 10.569 -7.640 572 HG1 THR 74 HG1 THR 74 4.955 10.754 -7.195 573 HG21 THR 74 HG21 THR 74 5.878 10.023 -10.239 574 HG22 THR 74 HG22 THR 74 7.031 11.284 -9.808 575 HG23 THR 74 HG23 THR 74 5.346 11.423 -9.308 576 H THR 75 H THR 75 9.477 8.397 -7.748 577 HA THR 75 HA THR 75 10.782 9.695 -9.874 578 HB THR 75 HB THR 75 12.853 8.783 -8.987 579 HG1 THR 75 HG1 THR 75 11.119 7.078 -7.504 580 HG21 THR 75 HG21 THR 75 12.562 9.434 -6.563 581 HG22 THR 75 HG22 THR 75 10.843 9.622 -6.904 582 HG23 THR 75 HG23 THR 75 12.023 10.631 -7.740 583 H LEU 76 H LEU 76 10.379 6.226 -9.182 584 HA LEU 76 HA LEU 76 11.608 5.443 -11.658 585 HB2 LEU 76 HB2 LEU 76 9.939 3.763 -9.798 586 HB3 LEU 76 HB3 LEU 76 11.086 3.194 -11.010 587 HG LEU 76 HG LEU 76 11.719 4.602 -8.420 588 HD11 LEU 76 HD11 LEU 76 11.525 1.837 -9.237 589 HD12 LEU 76 HD12 LEU 76 11.730 2.527 -7.627 590 HD13 LEU 76 HD13 LEU 76 13.140 2.227 -8.644 591 HD21 LEU 76 HD21 LEU 76 13.377 4.052 -10.839 592 HD22 LEU 76 HD22 LEU 76 14.117 3.954 -9.241 593 HD23 LEU 76 HD23 LEU 76 13.367 5.459 -9.774 594 H LYS 77 H LYS 77 8.340 5.886 -10.465 595 HA LYS 77 HA LYS 77 7.012 4.632 -12.636 596 HB2 LYS 77 HB2 LYS 77 6.286 6.079 -10.247 597 HB3 LYS 77 HB3 LYS 77 5.317 6.628 -11.609 598 HG2 LYS 77 HG2 LYS 77 4.064 4.901 -10.701 599 HG3 LYS 77 HG3 LYS 77 4.897 4.136 -12.056 600 HD2 LYS 77 HD2 LYS 77 6.330 4.067 -9.483 601 HD3 LYS 77 HD3 LYS 77 4.835 3.130 -9.544 602 HE2 LYS 77 HE2 LYS 77 5.911 1.518 -10.626 603 HE3 LYS 77 HE3 LYS 77 6.234 2.637 -11.949 604 HZ1 LYS 77 HZ1 LYS 77 7.938 2.262 -9.545 605 HZ2 LYS 77 HZ2 LYS 77 8.247 3.342 -10.810 606 HZ3 LYS 77 HZ3 LYS 77 8.274 1.675 -11.096 607 H GLU 78 H GLU 78 8.223 7.871 -12.074 608 HA GLU 78 HA GLU 78 6.922 8.985 -14.392 609 HB2 GLU 78 HB2 GLU 78 7.440 10.339 -12.376 610 HB3 GLU 78 HB3 GLU 78 9.154 10.134 -12.708 611 HG2 GLU 78 HG2 GLU 78 8.620 11.180 -14.995 612 HG3 GLU 78 HG3 GLU 78 7.120 11.707 -14.234 613 H ASP 79 H ASP 79 9.952 7.469 -13.656 614 HA ASP 79 HA ASP 79 11.337 8.408 -15.983 615 HB2 ASP 79 HB2 ASP 79 11.898 6.569 -13.741 616 HB3 ASP 79 HB3 ASP 79 12.723 6.192 -15.250 617 H ILE 80 H ILE 80 9.828 5.322 -15.062 618 HA ILE 80 HA ILE 80 10.344 3.983 -17.480 619 HB ILE 80 HB ILE 80 9.701 2.756 -15.487 620 HG12 ILE 80 HG12 ILE 80 8.033 1.248 -16.479 621 HG13 ILE 80 HG13 ILE 80 7.621 2.477 -17.669 622 HG21 ILE 80 HG21 ILE 80 6.880 3.720 -15.771 623 HG22 ILE 80 HG22 ILE 80 7.656 2.936 -14.396 624 HG23 ILE 80 HG23 ILE 80 8.047 4.609 -14.794 625 HD11 ILE 80 HD11 ILE 80 10.395 1.370 -17.421 626 HD12 ILE 80 HD12 ILE 80 9.155 0.603 -18.412 627 HD13 ILE 80 HD13 ILE 80 9.675 2.250 -18.769 628 H ARG 81 H ARG 81 7.575 5.908 -16.401 629 HA ARG 81 HA ARG 81 5.975 5.438 -18.690 630 HB2 ARG 81 HB2 ARG 81 4.519 7.083 -17.839 631 HB3 ARG 81 HB3 ARG 81 5.235 6.335 -16.418 632 HG2 ARG 81 HG2 ARG 81 6.791 8.203 -16.211 633 HG3 ARG 81 HG3 ARG 81 6.085 8.951 -17.645 634 HD2 ARG 81 HD2 ARG 81 5.260 9.854 -15.454 635 HD3 ARG 81 HD3 ARG 81 4.003 9.280 -16.549 636 HE ARG 81 HE ARG 81 4.875 7.292 -14.671 637 HH11 ARG 81 HH11 ARG 81 2.738 9.993 -15.181 638 HH12 ARG 81 HH12 ARG 81 1.600 9.488 -13.976 639 HH21 ARG 81 HH21 ARG 81 3.384 6.617 -13.082 640 HH22 ARG 81 HH22 ARG 81 1.969 7.568 -12.782 641 H LEU 82 H LEU 82 8.483 7.756 -17.936 642 HA LEU 82 HA LEU 82 7.996 9.621 -19.973 643 HB2 LEU 82 HB2 LEU 82 9.528 9.985 -18.082 644 HB3 LEU 82 HB3 LEU 82 10.641 8.807 -18.774 645 HG LEU 82 HG LEU 82 11.155 11.299 -19.087 646 HD11 LEU 82 HD11 LEU 82 11.052 9.787 -21.668 647 HD12 LEU 82 HD12 LEU 82 12.084 9.249 -20.344 648 HD13 LEU 82 HD13 LEU 82 12.315 10.850 -21.046 649 HD21 LEU 82 HD21 LEU 82 10.070 12.426 -20.897 650 HD22 LEU 82 HD22 LEU 82 8.828 11.880 -19.770 651 HD23 LEU 82 HD23 LEU 82 9.103 10.999 -21.274 652 H MET 83 H MET 83 9.947 6.664 -19.938 653 HA MET 83 HA MET 83 11.052 6.924 -22.505 654 HB2 MET 83 HB2 MET 83 10.357 4.337 -21.107 655 HB3 MET 83 HB3 MET 83 11.573 4.573 -22.355 656 HG2 MET 83 HG2 MET 83 12.729 6.142 -20.746 657 HG3 MET 83 HG3 MET 83 11.624 5.536 -19.514 658 HE1 MET 83 HE1 MET 83 11.562 2.922 -18.746 659 HE2 MET 83 HE2 MET 83 13.192 2.451 -18.263 660 HE3 MET 83 HE3 MET 83 12.587 4.062 -17.872 661 H VAL 84 H VAL 84 8.214 5.041 -21.444 662 HA VAL 84 HA VAL 84 7.428 4.220 -24.016 663 HB VAL 84 HB VAL 84 6.582 3.102 -22.033 664 HG11 VAL 84 HG11 VAL 84 4.967 4.132 -20.551 665 HG12 VAL 84 HG12 VAL 84 6.448 5.092 -20.584 666 HG13 VAL 84 HG13 VAL 84 5.027 5.628 -21.483 667 HG21 VAL 84 HG21 VAL 84 5.129 3.709 -24.279 668 HG22 VAL 84 HG22 VAL 84 4.688 2.508 -23.065 669 HG23 VAL 84 HG23 VAL 84 4.021 4.138 -22.976 670 H ASN 85 H ASN 85 6.907 7.170 -22.247 671 HA ASN 85 HA ASN 85 4.700 8.152 -23.709 672 HB2 ASN 85 HB2 ASN 85 6.805 9.410 -21.982 673 HB3 ASN 85 HB3 ASN 85 5.705 10.431 -22.904 674 HD21 ASN 85 HD21 ASN 85 5.984 10.114 -20.024 675 HD22 ASN 85 HD22 ASN 85 4.433 9.622 -19.443 676 H ASN 86 H ASN 86 8.199 8.614 -24.091 677 HA ASN 86 HA ASN 86 7.947 10.304 -26.377 678 HB2 ASN 86 HB2 ASN 86 9.960 9.850 -24.652 679 HB3 ASN 86 HB3 ASN 86 10.460 8.780 -25.959 680 HD21 ASN 86 HD21 ASN 86 10.840 9.682 -28.033 681 HD22 ASN 86 HD22 ASN 86 11.260 11.350 -28.203 682 H CYS 87 H CYS 87 8.295 6.859 -25.864 683 HA CYS 87 HA CYS 87 8.993 6.135 -28.499 684 HB2 CYS 87 HB2 CYS 87 7.627 4.606 -26.282 685 HB3 CYS 87 HB3 CYS 87 8.067 3.874 -27.820 686 HG CYS 87 HG CYS 87 9.850 3.919 -25.214 687 H ILE 88 H ILE 88 5.844 5.606 -26.909 688 HA ILE 88 HA ILE 88 4.392 5.060 -29.204 689 HB ILE 88 HB ILE 88 2.380 5.645 -27.938 690 HG12 ILE 88 HG12 ILE 88 3.098 6.298 -25.412 691 HG13 ILE 88 HG13 ILE 88 4.358 7.134 -26.314 692 HG21 ILE 88 HG21 ILE 88 2.674 3.614 -27.089 693 HG22 ILE 88 HG22 ILE 88 4.425 3.813 -27.101 694 HG23 ILE 88 HG23 ILE 88 3.486 4.357 -25.711 695 HD11 ILE 88 HD11 ILE 88 1.763 8.011 -25.793 696 HD12 ILE 88 HD12 ILE 88 2.962 8.762 -26.845 697 HD13 ILE 88 HD13 ILE 88 1.798 7.616 -27.511 698 H LEU 89 H LEU 89 5.372 8.130 -27.866 699 HA LEU 89 HA LEU 89 3.606 9.716 -29.468 700 HB2 LEU 89 HB2 LEU 89 4.512 10.493 -27.320 701 HB3 LEU 89 HB3 LEU 89 6.132 10.493 -28.015 702 HG LEU 89 HG LEU 89 4.007 12.166 -29.279 703 HD11 LEU 89 HD11 LEU 89 4.894 14.020 -27.729 704 HD12 LEU 89 HD12 LEU 89 5.369 12.696 -26.666 705 HD13 LEU 89 HD13 LEU 89 3.674 12.910 -27.104 706 HD21 LEU 89 HD21 LEU 89 6.715 11.719 -29.717 707 HD22 LEU 89 HD22 LEU 89 6.644 13.294 -28.926 708 HD23 LEU 89 HD23 LEU 89 5.729 13.009 -30.407 709 H PHE 90 H PHE 90 7.026 8.806 -29.651 710 HA PHE 90 HA PHE 90 7.838 10.321 -31.801 711 HB2 PHE 90 HB2 PHE 90 9.253 8.761 -30.402 712 HB3 PHE 90 HB3 PHE 90 8.636 7.438 -31.386 713 HD1 PHE 90 HD1 PHE 90 10.781 10.400 -31.327 714 HD2 PHE 90 HD2 PHE 90 9.347 7.147 -33.669 715 HE1 PHE 90 HE1 PHE 90 12.551 10.817 -32.984 716 HE2 PHE 90 HE2 PHE 90 11.116 7.559 -35.329 717 HZ PHE 90 HZ PHE 90 12.721 9.395 -34.988 718 H ASN 91 H ASN 91 5.762 7.530 -31.762 719 HA ASN 91 HA ASN 91 4.769 8.023 -34.355 720 HB2 ASN 91 HB2 ASN 91 7.107 6.952 -34.754 721 HB3 ASN 91 HB3 ASN 91 6.322 5.453 -34.266 722 HD21 ASN 91 HD21 ASN 91 4.799 4.521 -35.593 723 HD22 ASN 91 HD22 ASN 91 4.551 5.024 -37.227 724 H GLY 92 H GLY 92 5.271 5.699 -31.756 725 HA2 GLY 92 HA2 GLY 92 3.110 5.087 -30.631 726 HA3 GLY 92 HA3 GLY 92 2.541 4.677 -32.242 727 H ALA 93 H ALA 93 5.813 3.984 -31.296 728 HA ALA 93 HA ALA 93 5.418 1.383 -30.279 729 HB1 ALA 93 HB1 ALA 93 6.011 0.011 -32.155 730 HB2 ALA 93 HB2 ALA 93 4.624 1.005 -32.604 731 HB3 ALA 93 HB3 ALA 93 6.236 1.429 -33.179 732 H GLU 94 H GLU 94 7.529 3.487 -32.183 733 HA GLU 94 HA GLU 94 9.739 3.997 -32.005 734 HB2 GLU 94 HB2 GLU 94 8.970 4.290 -29.574 735 HB3 GLU 94 HB3 GLU 94 9.718 2.728 -29.275 736 HG2 GLU 94 HG2 GLU 94 11.439 4.622 -30.685 737 HG3 GLU 94 HG3 GLU 94 10.965 5.136 -29.067 738 H GLY 95 H GLY 95 8.682 1.148 -32.634 739 HA2 GLY 95 HA2 GLY 95 10.139 -0.378 -33.835 740 HA3 GLY 95 HA3 GLY 95 11.355 -0.101 -32.597 741 H ALA 96 H ALA 96 8.557 -0.276 -30.943 742 HA ALA 96 HA ALA 96 7.808 -2.959 -30.953 743 HB1 ALA 96 HB1 ALA 96 9.708 -3.883 -30.165 744 HB2 ALA 96 HB2 ALA 96 10.266 -2.379 -29.432 745 HB3 ALA 96 HB3 ALA 96 9.059 -3.366 -28.609 746 H TYR 97 H TYR 97 5.987 -1.366 -30.744 747 HA TYR 97 HA TYR 97 5.430 0.167 -28.528 748 HB2 TYR 97 HB2 TYR 97 3.137 0.073 -29.158 749 HB3 TYR 97 HB3 TYR 97 4.063 -0.038 -30.650 750 HD1 TYR 97 HD1 TYR 97 4.444 -2.376 -31.632 751 HD2 TYR 97 HD2 TYR 97 1.544 -1.555 -28.628 752 HE1 TYR 97 HE1 TYR 97 3.258 -4.450 -32.218 753 HE2 TYR 97 HE2 TYR 97 0.351 -3.626 -29.205 754 HH TYR 97 HH TYR 97 1.703 -6.022 -31.236 755 H ALA 98 H ALA 98 5.357 -3.295 -28.855 756 HA ALA 98 HA ALA 98 3.820 -3.832 -26.515 757 HB1 ALA 98 HB1 ALA 98 5.641 -5.523 -28.205 758 HB2 ALA 98 HB2 ALA 98 4.822 -6.147 -26.773 759 HB3 ALA 98 HB3 ALA 98 3.879 -5.541 -28.135 760 H ASP 99 H ASP 99 7.278 -3.599 -27.203 761 HA ASP 99 HA ASP 99 8.315 -4.553 -24.819 762 HB2 ASP 99 HB2 ASP 99 9.268 -2.513 -26.799 763 HB3 ASP 99 HB3 ASP 99 10.173 -2.779 -25.312 764 H ALA 100 H ALA 100 7.225 -1.272 -25.609 765 HA ALA 100 HA ALA 100 7.891 -0.148 -23.090 766 HB1 ALA 100 HB1 ALA 100 5.678 1.108 -24.551 767 HB2 ALA 100 HB2 ALA 100 7.201 1.793 -23.982 768 HB3 ALA 100 HB3 ALA 100 7.153 0.880 -25.490 769 H ALA 101 H ALA 101 5.044 -1.756 -24.357 770 HA ALA 101 HA ALA 101 3.303 -1.042 -22.218 771 HB1 ALA 101 HB1 ALA 101 2.761 -3.545 -23.675 772 HB2 ALA 101 HB2 ALA 101 1.712 -2.162 -23.358 773 HB3 ALA 101 HB3 ALA 101 2.896 -2.090 -24.663 774 H ARG 102 H ARG 102 5.368 -3.832 -22.893 775 HA ARG 102 HA ARG 102 4.514 -5.389 -20.687 776 HB2 ARG 102 HB2 ARG 102 6.356 -5.651 -22.835 777 HB3 ARG 102 HB3 ARG 102 7.230 -5.982 -21.345 778 HG2 ARG 102 HG2 ARG 102 4.614 -7.284 -21.524 779 HG3 ARG 102 HG3 ARG 102 5.781 -7.803 -22.742 780 HD2 ARG 102 HD2 ARG 102 6.669 -7.596 -19.908 781 HD3 ARG 102 HD3 ARG 102 5.653 -8.959 -20.374 782 HE ARG 102 HE ARG 102 8.407 -8.547 -21.050 783 HH11 ARG 102 HH11 ARG 102 5.431 -10.050 -22.050 784 HH12 ARG 102 HH12 ARG 102 6.214 -11.278 -22.988 785 HH21 ARG 102 HH21 ARG 102 9.450 -10.159 -22.282 786 HH22 ARG 102 HH22 ARG 102 8.500 -11.340 -23.119 787 H THR 103 H THR 103 7.398 -3.355 -21.166 788 HA THR 103 HA THR 103 8.497 -3.690 -18.619 789 HB THR 103 HB THR 103 9.750 -2.681 -20.472 790 HG1 THR 103 HG1 THR 103 10.489 -2.214 -18.386 791 HG21 THR 103 HG21 THR 103 8.155 -0.167 -20.008 792 HG22 THR 103 HG22 THR 103 7.787 -1.311 -21.298 793 HG23 THR 103 HG23 THR 103 9.344 -0.483 -21.272 794 H PHE 104 H PHE 104 6.008 -1.506 -19.786 795 HA PHE 104 HA PHE 104 5.920 0.238 -17.587 796 HB2 PHE 104 HB2 PHE 104 4.790 0.869 -19.597 797 HB3 PHE 104 HB3 PHE 104 3.806 -0.590 -19.576 798 HD1 PHE 104 HD1 PHE 104 4.567 2.215 -17.230 799 HD2 PHE 104 HD2 PHE 104 1.611 -0.261 -19.032 800 HE1 PHE 104 HE1 PHE 104 2.810 3.424 -16.003 801 HE2 PHE 104 HE2 PHE 104 -0.150 0.944 -17.809 802 HZ PHE 104 HZ PHE 104 0.448 2.790 -16.292 803 H GLU 105 H GLU 105 3.643 -2.409 -18.333 804 HA GLU 105 HA GLU 105 2.422 -2.422 -15.805 805 HB2 GLU 105 HB2 GLU 105 2.595 -4.453 -18.015 806 HB3 GLU 105 HB3 GLU 105 1.766 -4.819 -16.509 807 HG2 GLU 105 HG2 GLU 105 1.095 -2.424 -18.189 808 HG3 GLU 105 HG3 GLU 105 0.335 -3.998 -18.417 809 H LYS 106 H LYS 106 5.214 -4.144 -17.069 810 HA LYS 106 HA LYS 106 5.534 -5.966 -14.942 811 HB2 LYS 106 HB2 LYS 106 7.389 -4.850 -17.024 812 HB3 LYS 106 HB3 LYS 106 8.001 -5.900 -15.754 813 HG2 LYS 106 HG2 LYS 106 5.649 -6.787 -17.350 814 HG3 LYS 106 HG3 LYS 106 7.261 -6.875 -18.063 815 HD2 LYS 106 HD2 LYS 106 7.073 -7.918 -15.325 816 HD3 LYS 106 HD3 LYS 106 6.135 -8.816 -16.521 817 HE2 LYS 106 HE2 LYS 106 8.066 -9.231 -17.842 818 HE3 LYS 106 HE3 LYS 106 9.031 -8.090 -16.907 819 HZ1 LYS 106 HZ1 LYS 106 9.464 -10.444 -16.357 820 HZ2 LYS 106 HZ2 LYS 106 7.872 -10.590 -15.803 821 HZ3 LYS 106 HZ3 LYS 106 8.945 -9.539 -15.025 822 H PHE 107 H PHE 107 6.949 -2.762 -15.531 823 HA PHE 107 HA PHE 107 8.657 -2.588 -13.376 824 HB2 PHE 107 HB2 PHE 107 7.293 -0.700 -15.139 825 HB3 PHE 107 HB3 PHE 107 7.598 -0.038 -13.537 826 HD1 PHE 107 HD1 PHE 107 9.468 -2.181 -15.959 827 HD2 PHE 107 HD2 PHE 107 9.496 1.226 -13.408 828 HE1 PHE 107 HE1 PHE 107 11.801 -1.726 -16.597 829 HE2 PHE 107 HE2 PHE 107 11.828 1.686 -14.042 830 HZ PHE 107 HZ PHE 107 12.984 0.209 -15.638 831 H ALA 108 H ALA 108 5.205 -1.747 -13.477 832 HA ALA 108 HA ALA 108 4.913 -0.838 -10.870 833 HB1 ALA 108 HB1 ALA 108 3.222 -1.384 -13.022 834 HB2 ALA 108 HB2 ALA 108 2.600 -2.349 -11.682 835 HB3 ALA 108 HB3 ALA 108 2.795 -0.606 -11.497 836 H MET 109 H MET 109 4.599 -4.149 -12.128 837 HA MET 109 HA MET 109 3.867 -5.389 -9.732 838 HB2 MET 109 HB2 MET 109 3.953 -6.317 -12.157 839 HB3 MET 109 HB3 MET 109 5.611 -6.751 -11.761 840 HG2 MET 109 HG2 MET 109 4.262 -7.739 -9.617 841 HG3 MET 109 HG3 MET 109 3.089 -7.961 -10.912 842 HE1 MET 109 HE1 MET 109 4.061 -11.425 -11.696 843 HE2 MET 109 HE2 MET 109 3.492 -10.762 -10.164 844 HE3 MET 109 HE3 MET 109 2.850 -10.142 -11.685 845 H GLY 110 H GLY 110 7.085 -4.848 -11.142 846 HA2 GLY 110 HA2 GLY 110 8.618 -6.191 -9.254 847 HA3 GLY 110 HA3 GLY 110 9.164 -4.794 -10.170 848 H LYS 111 H LYS 111 7.180 -2.988 -9.084 849 HA LYS 111 HA LYS 111 8.599 -2.114 -6.792 850 HB2 LYS 111 HB2 LYS 111 7.228 -0.729 -8.480 851 HB3 LYS 111 HB3 LYS 111 5.828 -1.193 -7.522 852 HG2 LYS 111 HG2 LYS 111 7.632 -0.280 -5.641 853 HG3 LYS 111 HG3 LYS 111 7.850 0.817 -7.007 854 HD2 LYS 111 HD2 LYS 111 6.078 1.911 -6.186 855 HD3 LYS 111 HD3 LYS 111 5.120 0.588 -6.854 856 HE2 LYS 111 HE2 LYS 111 6.304 0.173 -4.172 857 HE3 LYS 111 HE3 LYS 111 4.986 1.338 -4.290 858 HZ1 LYS 111 HZ1 LYS 111 3.737 -0.474 -5.495 859 HZ2 LYS 111 HZ2 LYS 111 3.988 -0.719 -3.840 860 HZ3 LYS 111 HZ3 LYS 111 4.940 -1.542 -4.970 861 H ILE 112 H ILE 112 5.545 -3.819 -7.245 862 HA ILE 112 HA ILE 112 4.557 -3.688 -4.645 863 HB ILE 112 HB ILE 112 4.286 -6.053 -6.501 864 HG12 ILE 112 HG12 ILE 112 3.681 -4.053 -7.719 865 HG13 ILE 112 HG13 ILE 112 2.210 -4.915 -7.282 866 HG21 ILE 112 HG21 ILE 112 1.975 -6.039 -5.298 867 HG22 ILE 112 HG22 ILE 112 3.380 -6.742 -4.497 868 HG23 ILE 112 HG23 ILE 112 2.837 -5.121 -4.063 869 HD11 ILE 112 HD11 ILE 112 2.719 -3.122 -5.188 870 HD12 ILE 112 HD12 ILE 112 2.980 -2.231 -6.687 871 HD13 ILE 112 HD13 ILE 112 1.441 -3.044 -6.401 872 H ASP 113 H ASP 113 6.700 -6.111 -6.117 873 HA ASP 113 HA ASP 113 6.945 -7.790 -3.895 874 HB2 ASP 113 HB2 ASP 113 8.587 -7.274 -6.334 875 HB3 ASP 113 HB3 ASP 113 9.306 -8.214 -5.029 876 H ALA 114 H ALA 114 8.976 -5.056 -4.918 877 HA ALA 114 HA ALA 114 10.836 -5.202 -2.825 878 HB1 ALA 114 HB1 ALA 114 10.402 -2.480 -3.630 879 HB2 ALA 114 HB2 ALA 114 11.777 -3.538 -3.953 880 HB3 ALA 114 HB3 ALA 114 10.385 -3.544 -5.036 881 H TYR 115 H TYR 115 7.741 -3.516 -3.081 882 HA TYR 115 HA TYR 115 7.827 -1.935 -0.823 883 HB2 TYR 115 HB2 TYR 115 5.976 -1.718 -2.308 884 HB3 TYR 115 HB3 TYR 115 5.520 -3.405 -2.097 885 HD1 TYR 115 HD1 TYR 115 6.410 -0.951 0.547 886 HD2 TYR 115 HD2 TYR 115 3.325 -3.235 -1.288 887 HE1 TYR 115 HE1 TYR 115 4.866 -0.303 2.349 888 HE2 TYR 115 HE2 TYR 115 1.772 -2.592 0.508 889 HH TYR 115 HH TYR 115 2.274 -0.092 2.565 890 H ILE 116 H ILE 116 6.861 -5.340 -1.074 891 HA ILE 116 HA ILE 116 6.193 -5.676 1.647 892 HB ILE 116 HB ILE 116 7.138 -7.763 -0.321 893 HG12 ILE 116 HG12 ILE 116 4.301 -7.712 0.314 894 HG13 ILE 116 HG13 ILE 116 4.835 -6.193 -0.397 895 HG21 ILE 116 HG21 ILE 116 5.538 -9.112 1.327 896 HG22 ILE 116 HG22 ILE 116 7.268 -8.936 1.616 897 HG23 ILE 116 HG23 ILE 116 6.124 -7.890 2.457 898 HD11 ILE 116 HD11 ILE 116 4.575 -7.167 -2.367 899 HD12 ILE 116 HD12 ILE 116 6.005 -8.127 -1.988 900 HD13 ILE 116 HD13 ILE 116 4.397 -8.762 -1.636 901 H SER 117 H SER 117 9.211 -6.003 -0.128 902 HA SER 117 HA SER 117 10.725 -7.299 1.842 903 HB2 SER 117 HB2 SER 117 11.210 -6.441 -0.707 904 HB3 SER 117 HB3 SER 117 12.176 -5.302 0.232 905 HG SER 117 HG SER 117 13.434 -6.899 0.915 906 H GLN 118 H GLN 118 10.099 -3.866 1.273 907 HA GLN 118 HA GLN 118 11.482 -3.245 3.795 908 HB2 GLN 118 HB2 GLN 118 11.480 -0.884 2.933 909 HB3 GLN 118 HB3 GLN 118 12.447 -2.013 1.994 910 HG2 GLN 118 HG2 GLN 118 9.826 -1.983 0.909 911 HG3 GLN 118 HG3 GLN 118 10.360 -0.316 1.120 912 HE21 GLN 118 HE21 GLN 118 12.176 -3.249 0.337 913 HE22 GLN 118 HE22 GLN 118 12.800 -2.672 -1.167 914 H LYS 119 H LYS 119 9.491 -4.087 4.843 915 HA LYS 119 HA LYS 119 7.399 -2.012 4.936 916 HB2 LYS 119 HB2 LYS 119 6.964 -4.544 4.148 917 HB3 LYS 119 HB3 LYS 119 6.774 -4.755 5.884 918 HG2 LYS 119 HG2 LYS 119 4.939 -3.320 5.980 919 HG3 LYS 119 HG3 LYS 119 5.308 -2.596 4.413 920 HD2 LYS 119 HD2 LYS 119 4.905 -4.967 3.477 921 HD3 LYS 119 HD3 LYS 119 4.108 -5.277 5.021 922 HE2 LYS 119 HE2 LYS 119 3.114 -2.816 4.114 923 HE3 LYS 119 HE3 LYS 119 3.129 -3.879 2.708 924 HZ1 LYS 119 HZ1 LYS 119 1.718 -4.262 5.277 925 HZ2 LYS 119 HZ2 LYS 119 1.998 -5.552 4.218 926 HZ3 LYS 119 HZ3 LYS 119 1.070 -4.230 3.715 927 H VAL 120 H VAL 120 9.831 -3.627 6.633 928 HA VAL 120 HA VAL 120 8.759 -3.596 9.254 929 HB VAL 120 HB VAL 120 10.765 -4.912 8.559 930 HG11 VAL 120 HG11 VAL 120 11.709 -2.719 7.417 931 HG12 VAL 120 HG12 VAL 120 12.481 -2.525 8.992 932 HG13 VAL 120 HG13 VAL 120 12.779 -3.977 8.035 933 HG21 VAL 120 HG21 VAL 120 10.307 -3.490 10.994 934 HG22 VAL 120 HG22 VAL 120 11.030 -5.081 10.757 935 HG23 VAL 120 HG23 VAL 120 12.044 -3.639 10.729 936 H GLY 121 H GLY 121 10.068 -1.138 7.219 937 HA2 GLY 121 HA2 GLY 121 9.225 1.003 8.743 938 HA3 GLY 121 HA3 GLY 121 10.870 0.678 9.267 939 H GLY 122 H GLY 122 9.085 0.913 6.182 940 HA2 GLY 122 HA2 GLY 122 10.955 2.959 5.286 941 HA3 GLY 122 HA3 GLY 122 10.966 1.453 4.379 942 H LEU 123 H LEU 123 8.372 0.771 4.174 943 HA LEU 123 HA LEU 123 7.136 3.091 2.841 944 HB2 LEU 123 HB2 LEU 123 7.144 0.197 2.006 945 HB3 LEU 123 HB3 LEU 123 6.136 1.436 1.263 946 HG LEU 123 HG LEU 123 9.146 1.268 1.204 947 HD11 LEU 123 HD11 LEU 123 8.586 -0.119 -0.485 948 HD12 LEU 123 HD12 LEU 123 8.346 1.396 -1.354 949 HD13 LEU 123 HD13 LEU 123 6.965 0.555 -0.650 950 HD21 LEU 123 HD21 LEU 123 7.379 3.537 0.908 951 HD22 LEU 123 HD22 LEU 123 8.297 3.232 -0.567 952 HD23 LEU 123 HD23 LEU 123 9.141 3.479 0.963 953 H GLU 124 H GLU 124 6.818 0.680 5.190 954 HA GLU 124 HA GLU 124 4.049 0.197 5.152 955 HB2 GLU 124 HB2 GLU 124 5.450 -1.233 6.455 956 HB3 GLU 124 HB3 GLU 124 6.072 0.120 7.388 957 HG2 GLU 124 HG2 GLU 124 3.168 -0.201 7.523 958 HG3 GLU 124 HG3 GLU 124 4.086 -1.552 8.185 Start of MODEL 13 1 H1 MET 1 H1 MET 1 1.818 -0.846 -1.393 2 HA MET 1 HA MET 1 -0.198 0.891 -0.147 3 HB2 MET 1 HB2 MET 1 -0.278 -1.699 0.379 4 HB3 MET 1 HB3 MET 1 1.038 -1.291 1.472 5 HG2 MET 1 HG2 MET 1 -0.410 0.386 2.545 6 HG3 MET 1 HG3 MET 1 -1.729 -0.112 1.488 7 HE1 MET 1 HE1 MET 1 -3.444 -0.856 3.592 8 HE2 MET 1 HE2 MET 1 -3.356 -1.630 2.009 9 HE3 MET 1 HE3 MET 1 -3.470 -2.616 3.467 10 H SER 2 H SER 2 2.272 1.711 -1.190 11 HA SER 2 HA SER 2 4.369 1.779 0.671 12 HB2 SER 2 HB2 SER 2 4.053 4.170 -1.035 13 HB3 SER 2 HB3 SER 2 5.431 3.084 -0.856 14 HG SER 2 HG SER 2 3.185 2.857 -2.527 15 H GLN 3 H GLN 3 5.063 4.373 1.120 16 HA GLN 3 HA GLN 3 2.847 5.520 2.671 17 HB2 GLN 3 HB2 GLN 3 4.894 4.128 3.852 18 HB3 GLN 3 HB3 GLN 3 5.484 5.783 3.933 19 HG2 GLN 3 HG2 GLN 3 2.856 5.991 4.746 20 HG3 GLN 3 HG3 GLN 3 3.399 4.473 5.459 21 HE21 GLN 3 HE21 GLN 3 4.442 7.831 5.022 22 HE22 GLN 3 HE22 GLN 3 5.177 7.987 6.578 23 H ASN 4 H ASN 4 2.511 7.523 1.996 24 HA ASN 4 HA ASN 4 4.405 8.962 0.433 25 HB2 ASN 4 HB2 ASN 4 2.711 10.853 0.721 26 HB3 ASN 4 HB3 ASN 4 2.128 9.383 -0.054 27 HD21 ASN 4 HD21 ASN 4 0.021 10.177 0.547 28 HD22 ASN 4 HD22 ASN 4 -0.578 9.879 2.141 29 H ARG 5 H ARG 5 6.236 9.036 1.846 30 HA ARG 5 HA ARG 5 6.405 11.454 3.329 31 HB2 ARG 5 HB2 ARG 5 5.255 10.097 5.021 32 HB3 ARG 5 HB3 ARG 5 6.518 8.879 4.909 33 HG2 ARG 5 HG2 ARG 5 8.124 10.758 5.583 34 HG3 ARG 5 HG3 ARG 5 6.671 11.637 6.062 35 HD2 ARG 5 HD2 ARG 5 6.865 8.857 7.021 36 HD3 ARG 5 HD3 ARG 5 8.045 9.982 7.693 37 HE ARG 5 HE ARG 5 5.210 9.931 8.194 38 HH11 ARG 5 HH11 ARG 5 8.104 11.866 8.229 39 HH12 ARG 5 HH12 ARG 5 7.498 12.986 9.403 40 HH21 ARG 5 HH21 ARG 5 4.400 11.400 9.740 41 HH22 ARG 5 HH22 ARG 5 5.391 12.720 10.263 42 H GLN 6 H GLN 6 8.037 8.347 3.882 43 HA GLN 6 HA GLN 6 10.433 9.427 2.572 44 HB2 GLN 6 HB2 GLN 6 11.817 9.056 4.365 45 HB3 GLN 6 HB3 GLN 6 10.338 9.497 5.208 46 HG2 GLN 6 HG2 GLN 6 11.357 6.708 4.721 47 HG3 GLN 6 HG3 GLN 6 11.358 7.580 6.254 48 HE21 GLN 6 HE21 GLN 6 9.997 5.079 5.056 49 HE22 GLN 6 HE22 GLN 6 8.360 5.238 5.587 50 H LEU 7 H LEU 7 11.931 7.831 1.820 51 HA LEU 7 HA LEU 7 10.660 5.214 1.367 52 HB2 LEU 7 HB2 LEU 7 12.160 7.057 -0.355 53 HB3 LEU 7 HB3 LEU 7 12.631 5.364 -0.503 54 HG LEU 7 HG LEU 7 10.846 6.317 -2.105 55 HD11 LEU 7 HD11 LEU 7 11.078 4.083 -2.386 56 HD12 LEU 7 HD12 LEU 7 9.481 4.073 -1.638 57 HD13 LEU 7 HD13 LEU 7 10.913 3.735 -0.665 58 HD21 LEU 7 HD21 LEU 7 9.585 7.218 0.008 59 HD22 LEU 7 HD22 LEU 7 8.919 5.585 0.049 60 HD23 LEU 7 HD23 LEU 7 8.686 6.596 -1.377 61 H LEU 8 H LEU 8 11.583 3.503 2.272 62 HA LEU 8 HA LEU 8 13.754 3.568 3.969 63 HB2 LEU 8 HB2 LEU 8 11.969 1.743 3.572 64 HB3 LEU 8 HB3 LEU 8 13.104 1.113 2.380 65 HG LEU 8 HG LEU 8 13.811 1.527 5.279 66 HD11 LEU 8 HD11 LEU 8 11.898 -0.134 4.747 67 HD12 LEU 8 HD12 LEU 8 13.233 -0.657 5.773 68 HD13 LEU 8 HD13 LEU 8 13.184 -1.138 4.078 69 HD21 LEU 8 HD21 LEU 8 15.541 -0.228 4.605 70 HD22 LEU 8 HD22 LEU 8 15.776 1.416 4.009 71 HD23 LEU 8 HD23 LEU 8 15.121 0.176 2.939 72 H TYR 9 H TYR 9 13.827 1.967 0.782 73 HA TYR 9 HA TYR 9 16.134 3.255 -0.154 74 HB2 TYR 9 HB2 TYR 9 16.604 1.050 1.696 75 HB3 TYR 9 HB3 TYR 9 17.372 0.789 0.134 76 HD1 TYR 9 HD1 TYR 9 18.362 3.279 -0.742 77 HD2 TYR 9 HD2 TYR 9 18.107 1.834 3.252 78 HE1 TYR 9 HE1 TYR 9 20.205 4.773 -0.091 79 HE2 TYR 9 HE2 TYR 9 19.948 3.325 3.915 80 HH TYR 9 HH TYR 9 21.058 5.852 1.970 81 HA PRO 10 HA PRO 10 13.703 0.731 -3.175 82 HB2 PRO 10 HB2 PRO 10 13.443 2.742 -4.981 83 HB3 PRO 10 HB3 PRO 10 12.328 2.516 -3.628 84 HG2 PRO 10 HG2 PRO 10 14.641 4.400 -3.883 85 HG3 PRO 10 HG3 PRO 10 13.023 4.698 -3.221 86 HD2 PRO 10 HD2 PRO 10 15.177 4.237 -1.648 87 HD3 PRO 10 HD3 PRO 10 13.537 3.733 -1.192 88 H ARG 11 H ARG 11 14.980 -0.592 -4.299 89 HA ARG 11 HA ARG 11 16.497 0.192 -6.501 90 HB2 ARG 11 HB2 ARG 11 18.786 -0.489 -5.464 91 HB3 ARG 11 HB3 ARG 11 18.186 1.149 -5.236 92 HG2 ARG 11 HG2 ARG 11 18.027 0.908 -3.021 93 HG3 ARG 11 HG3 ARG 11 17.346 -0.715 -3.150 94 HD2 ARG 11 HD2 ARG 11 19.878 -1.191 -3.942 95 HD3 ARG 11 HD3 ARG 11 20.146 0.154 -2.834 96 HE ARG 11 HE ARG 11 18.476 -1.932 -1.765 97 HH11 ARG 11 HH11 ARG 11 21.740 -0.803 -2.203 98 HH12 ARG 11 HH12 ARG 11 22.369 -1.700 -0.861 99 HH21 ARG 11 HH21 ARG 11 19.292 -3.118 0.004 100 HH22 ARG 11 HH22 ARG 11 20.976 -3.016 0.394 101 H GLU 12 H GLU 12 16.002 -2.130 -3.922 102 HA GLU 12 HA GLU 12 17.193 -4.388 -4.978 103 HB2 GLU 12 HB2 GLU 12 15.752 -3.918 -2.767 104 HB3 GLU 12 HB3 GLU 12 14.526 -4.742 -3.721 105 HG2 GLU 12 HG2 GLU 12 17.138 -6.066 -3.691 106 HG3 GLU 12 HG3 GLU 12 16.338 -5.970 -2.124 107 H GLU 13 H GLU 13 14.236 -2.801 -5.923 108 HA GLU 13 HA GLU 13 13.424 -4.997 -7.642 109 HB2 GLU 13 HB2 GLU 13 11.497 -3.587 -8.187 110 HB3 GLU 13 HB3 GLU 13 11.704 -3.737 -6.447 111 HG2 GLU 13 HG2 GLU 13 11.475 -1.525 -6.412 112 HG3 GLU 13 HG3 GLU 13 13.138 -1.483 -6.993 113 H MET 14 H MET 14 14.951 -1.860 -7.879 114 HA MET 14 HA MET 14 14.687 -1.267 -10.551 115 HB2 MET 14 HB2 MET 14 15.780 0.303 -9.144 116 HB3 MET 14 HB3 MET 14 17.009 -0.863 -8.674 117 HG2 MET 14 HG2 MET 14 16.836 -0.239 -11.550 118 HG3 MET 14 HG3 MET 14 17.401 1.056 -10.496 119 HE1 MET 14 HE1 MET 14 20.025 -1.852 -12.368 120 HE2 MET 14 HE2 MET 14 18.299 -2.214 -12.335 121 HE3 MET 14 HE3 MET 14 18.861 -0.652 -12.931 122 H VAL 15 H VAL 15 17.175 -3.324 -9.052 123 HA VAL 15 HA VAL 15 18.469 -4.012 -11.466 124 HB VAL 15 HB VAL 15 19.519 -5.827 -10.201 125 HG11 VAL 15 HG11 VAL 15 20.340 -3.506 -9.983 126 HG12 VAL 15 HG12 VAL 15 19.325 -3.308 -8.553 127 HG13 VAL 15 HG13 VAL 15 20.644 -4.479 -8.544 128 HG21 VAL 15 HG21 VAL 15 17.588 -6.570 -8.920 129 HG22 VAL 15 HG22 VAL 15 18.935 -6.196 -7.845 130 HG23 VAL 15 HG23 VAL 15 17.594 -5.062 -8.006 131 H SER 16 H SER 16 15.683 -5.303 -9.808 132 HA SER 16 HA SER 16 15.480 -7.831 -10.900 133 HB2 SER 16 HB2 SER 16 13.949 -6.589 -9.193 134 HB3 SER 16 HB3 SER 16 13.040 -6.101 -10.623 135 HG SER 16 HG SER 16 12.125 -7.983 -10.040 136 H LEU 17 H LEU 17 14.180 -4.796 -12.232 137 HA LEU 17 HA LEU 17 13.086 -5.868 -14.566 138 HB2 LEU 17 HB2 LEU 17 14.291 -3.131 -14.183 139 HB3 LEU 17 HB3 LEU 17 13.168 -3.602 -15.457 140 HG LEU 17 HG LEU 17 11.685 -2.602 -14.073 141 HD11 LEU 17 HD11 LEU 17 11.859 -5.164 -12.514 142 HD12 LEU 17 HD12 LEU 17 11.202 -5.086 -14.148 143 HD13 LEU 17 HD13 LEU 17 10.436 -4.176 -12.846 144 HD21 LEU 17 HD21 LEU 17 13.838 -2.879 -12.158 145 HD22 LEU 17 HD22 LEU 17 12.260 -3.140 -11.415 146 HD23 LEU 17 HD23 LEU 17 12.589 -1.639 -12.281 147 H VAL 18 H VAL 18 16.229 -4.223 -14.169 148 HA VAL 18 HA VAL 18 17.229 -4.561 -16.710 149 HB VAL 18 HB VAL 18 18.547 -4.396 -14.031 150 HG11 VAL 18 HG11 VAL 18 19.908 -5.055 -16.632 151 HG12 VAL 18 HG12 VAL 18 20.752 -4.313 -15.271 152 HG13 VAL 18 HG13 VAL 18 20.020 -5.909 -15.093 153 HG21 VAL 18 HG21 VAL 18 17.751 -2.342 -14.975 154 HG22 VAL 18 HG22 VAL 18 19.512 -2.350 -15.082 155 HG23 VAL 18 HG23 VAL 18 18.540 -2.686 -16.515 156 H ARG 19 H ARG 19 17.431 -6.825 -13.983 157 HA ARG 19 HA ARG 19 18.988 -8.783 -15.235 158 HB2 ARG 19 HB2 ARG 19 16.875 -9.084 -13.094 159 HB3 ARG 19 HB3 ARG 19 18.024 -10.336 -13.548 160 HG2 ARG 19 HG2 ARG 19 19.374 -7.861 -12.942 161 HG3 ARG 19 HG3 ARG 19 18.349 -8.381 -11.603 162 HD2 ARG 19 HD2 ARG 19 20.451 -10.046 -12.985 163 HD3 ARG 19 HD3 ARG 19 20.603 -9.295 -11.397 164 HE ARG 19 HE ARG 19 18.331 -10.956 -11.437 165 HH11 ARG 19 HH11 ARG 19 21.808 -11.135 -11.452 166 HH12 ARG 19 HH12 ARG 19 21.862 -12.681 -10.672 167 HH21 ARG 19 HH21 ARG 19 18.389 -12.991 -10.409 168 HH22 ARG 19 HH22 ARG 19 19.917 -13.736 -10.080 169 H SER 20 H SER 20 15.588 -8.052 -15.461 170 HA SER 20 HA SER 20 14.741 -10.506 -16.595 171 HB2 SER 20 HB2 SER 20 12.683 -9.548 -16.650 172 HB3 SER 20 HB3 SER 20 13.448 -8.300 -15.666 173 HG SER 20 HG SER 20 13.776 -7.085 -17.528 174 H LEU 21 H LEU 21 16.000 -7.516 -17.958 175 HA LEU 21 HA LEU 21 15.734 -8.601 -20.665 176 HB2 LEU 21 HB2 LEU 21 16.238 -6.387 -21.450 177 HB3 LEU 21 HB3 LEU 21 14.965 -6.303 -20.234 178 HG LEU 21 HG LEU 21 17.484 -5.923 -18.949 179 HD11 LEU 21 HD11 LEU 21 18.580 -4.332 -20.125 180 HD12 LEU 21 HD12 LEU 21 17.110 -3.716 -20.879 181 HD13 LEU 21 HD13 LEU 21 17.862 -5.190 -21.489 182 HD21 LEU 21 HD21 LEU 21 16.341 -3.571 -18.701 183 HD22 LEU 21 HD22 LEU 21 15.690 -4.987 -17.876 184 HD23 LEU 21 HD23 LEU 21 14.948 -4.421 -19.372 185 H ASP 22 H ASP 22 17.575 -8.414 -22.142 186 HA ASP 22 HA ASP 22 20.191 -7.881 -21.443 187 HB2 ASP 22 HB2 ASP 22 19.243 -10.364 -20.307 188 HB3 ASP 22 HB3 ASP 22 20.562 -10.664 -21.435 189 H ARG 23 H ARG 23 19.572 -7.177 -23.656 190 HA ARG 23 HA ARG 23 20.875 -8.729 -25.600 191 HB2 ARG 23 HB2 ARG 23 18.554 -9.905 -25.223 192 HB3 ARG 23 HB3 ARG 23 17.953 -8.594 -26.229 193 HG2 ARG 23 HG2 ARG 23 18.396 -10.530 -27.587 194 HG3 ARG 23 HG3 ARG 23 19.540 -9.248 -27.991 195 HD2 ARG 23 HD2 ARG 23 20.557 -11.520 -27.812 196 HD3 ARG 23 HD3 ARG 23 21.279 -10.314 -26.748 197 HE ARG 23 HE ARG 23 20.505 -11.489 -24.930 198 HH11 ARG 23 HH11 ARG 23 19.024 -12.709 -27.835 199 HH12 ARG 23 HH12 ARG 23 18.330 -14.093 -27.056 200 HH21 ARG 23 HH21 ARG 23 19.597 -13.307 -23.893 201 HH22 ARG 23 HH22 ARG 23 18.657 -14.431 -24.813 202 HA PRO 24 HA PRO 24 20.257 -4.208 -26.445 203 HB2 PRO 24 HB2 PRO 24 22.893 -3.685 -26.835 204 HB3 PRO 24 HB3 PRO 24 22.133 -3.657 -25.239 205 HG2 PRO 24 HG2 PRO 24 23.756 -5.818 -26.527 206 HG3 PRO 24 HG3 PRO 24 23.816 -5.216 -24.860 207 HD2 PRO 24 HD2 PRO 24 22.526 -7.498 -25.539 208 HD3 PRO 24 HD3 PRO 24 21.979 -6.450 -24.215 209 H GLN 25 H GLN 25 19.379 -4.199 -28.444 210 HA GLN 25 HA GLN 25 20.494 -5.576 -30.671 211 HB2 GLN 25 HB2 GLN 25 18.270 -3.595 -30.319 212 HB3 GLN 25 HB3 GLN 25 18.804 -4.046 -31.932 213 HG2 GLN 25 HG2 GLN 25 17.432 -5.773 -31.823 214 HG3 GLN 25 HG3 GLN 25 18.483 -6.458 -30.584 215 HE21 GLN 25 HE21 GLN 25 18.062 -5.531 -28.341 216 HE22 GLN 25 HE22 GLN 25 16.403 -5.391 -27.877 217 H GLU 26 H GLU 26 20.285 -2.124 -29.825 218 HA GLU 26 HA GLU 26 21.913 -1.329 -32.050 219 HB2 GLU 26 HB2 GLU 26 20.359 -0.025 -29.971 220 HB3 GLU 26 HB3 GLU 26 21.906 0.772 -30.220 221 HG2 GLU 26 HG2 GLU 26 20.713 1.896 -31.766 222 HG3 GLU 26 HG3 GLU 26 21.174 0.518 -32.764 223 H ASN 27 H ASN 27 22.394 -1.493 -28.530 224 HA ASN 27 HA ASN 27 24.275 -1.490 -27.245 225 HB2 ASN 27 HB2 ASN 27 24.496 -3.627 -28.662 226 HB3 ASN 27 HB3 ASN 27 25.699 -2.736 -29.590 227 HD21 ASN 27 HD21 ASN 27 24.872 -3.403 -26.203 228 HD22 ASN 27 HD22 ASN 27 26.497 -3.675 -25.684 229 H GLY 28 H GLY 28 24.029 0.951 -27.937 230 HA2 GLY 28 HA2 GLY 28 26.706 1.912 -28.314 231 HA3 GLY 28 HA3 GLY 28 25.675 2.250 -29.696 232 H LEU 29 H LEU 29 23.262 2.665 -28.212 233 HA LEU 29 HA LEU 29 23.605 4.622 -26.198 234 HB2 LEU 29 HB2 LEU 29 24.444 6.033 -27.921 235 HB3 LEU 29 HB3 LEU 29 23.129 5.588 -29.007 236 HG LEU 29 HG LEU 29 22.254 6.858 -26.513 237 HD11 LEU 29 HD11 LEU 29 23.177 8.921 -26.735 238 HD12 LEU 29 HD12 LEU 29 23.411 8.755 -28.475 239 HD13 LEU 29 HD13 LEU 29 24.518 7.959 -27.357 240 HD21 LEU 29 HD21 LEU 29 20.941 8.187 -28.189 241 HD22 LEU 29 HD22 LEU 29 20.672 6.445 -28.240 242 HD23 LEU 29 HD23 LEU 29 21.697 7.214 -29.452 243 H PHE 30 H PHE 30 21.604 3.332 -28.787 244 HA PHE 30 HA PHE 30 19.115 4.230 -27.813 245 HB2 PHE 30 HB2 PHE 30 20.063 2.313 -29.832 246 HB3 PHE 30 HB3 PHE 30 18.497 1.914 -29.133 247 HD1 PHE 30 HD1 PHE 30 20.332 4.816 -30.584 248 HD2 PHE 30 HD2 PHE 30 16.607 2.821 -30.074 249 HE1 PHE 30 HE1 PHE 30 19.256 6.451 -32.075 250 HE2 PHE 30 HE2 PHE 30 15.525 4.452 -31.565 251 HZ PHE 30 HZ PHE 30 16.850 6.271 -32.567 252 H SER 31 H SER 31 21.260 1.901 -26.627 253 HA SER 31 HA SER 31 19.333 1.080 -24.618 254 HB2 SER 31 HB2 SER 31 19.279 -0.556 -26.634 255 HB3 SER 31 HB3 SER 31 20.846 -1.101 -26.035 256 HG SER 31 HG SER 31 18.392 -1.087 -24.608 257 H GLN 32 H GLN 32 21.861 2.616 -24.805 258 HA GLN 32 HA GLN 32 23.161 1.419 -22.527 259 HB2 GLN 32 HB2 GLN 32 24.188 0.890 -25.107 260 HB3 GLN 32 HB3 GLN 32 25.275 2.054 -24.361 261 HG2 GLN 32 HG2 GLN 32 26.148 -0.037 -23.804 262 HG3 GLN 32 HG3 GLN 32 25.310 0.507 -22.351 263 HE21 GLN 32 HE21 GLN 32 24.234 -1.043 -25.356 264 HE22 GLN 32 HE22 GLN 32 23.438 -2.370 -24.587 265 H ASP 33 H ASP 33 25.272 2.850 -22.081 266 HA ASP 33 HA ASP 33 24.337 5.633 -22.217 267 HB2 ASP 33 HB2 ASP 33 26.072 4.159 -20.246 268 HB3 ASP 33 HB3 ASP 33 26.042 5.919 -20.309 269 H VAL 34 H VAL 34 25.307 6.869 -23.670 270 HA VAL 34 HA VAL 34 27.539 6.199 -25.175 271 HB VAL 34 HB VAL 34 26.036 7.932 -25.919 272 HG11 VAL 34 HG11 VAL 34 26.441 8.952 -23.267 273 HG12 VAL 34 HG12 VAL 34 26.779 10.208 -24.459 274 HG13 VAL 34 HG13 VAL 34 25.216 9.390 -24.457 275 HG21 VAL 34 HG21 VAL 34 28.753 8.024 -26.144 276 HG22 VAL 34 HG22 VAL 34 27.628 9.050 -27.036 277 HG23 VAL 34 HG23 VAL 34 28.384 9.646 -25.558 278 H LEU 35 H LEU 35 27.342 7.587 -22.008 279 HA LEU 35 HA LEU 35 29.895 8.770 -21.865 280 HB2 LEU 35 HB2 LEU 35 27.771 8.734 -20.240 281 HB3 LEU 35 HB3 LEU 35 28.761 7.520 -19.433 282 HG LEU 35 HG LEU 35 29.007 9.775 -18.463 283 HD11 LEU 35 HD11 LEU 35 31.598 9.061 -19.780 284 HD12 LEU 35 HD12 LEU 35 30.855 7.981 -18.601 285 HD13 LEU 35 HD13 LEU 35 31.298 9.624 -18.136 286 HD21 LEU 35 HD21 LEU 35 30.707 10.958 -20.403 287 HD22 LEU 35 HD22 LEU 35 29.179 11.563 -19.762 288 HD23 LEU 35 HD23 LEU 35 29.188 10.533 -21.194 289 H LEU 36 H LEU 36 28.851 5.485 -21.755 290 HA LEU 36 HA LEU 36 31.406 4.577 -20.662 291 HB2 LEU 36 HB2 LEU 36 28.818 3.182 -21.286 292 HB3 LEU 36 HB3 LEU 36 30.288 2.302 -20.874 293 HG LEU 36 HG LEU 36 30.295 3.645 -18.709 294 HD11 LEU 36 HD11 LEU 36 28.007 4.794 -19.994 295 HD12 LEU 36 HD12 LEU 36 28.788 5.253 -18.481 296 HD13 LEU 36 HD13 LEU 36 27.524 4.023 -18.483 297 HD21 LEU 36 HD21 LEU 36 29.105 1.992 -17.632 298 HD22 LEU 36 HD22 LEU 36 29.464 1.219 -19.177 299 HD23 LEU 36 HD23 LEU 36 27.868 1.914 -18.888 300 H GLN 37 H GLN 37 31.266 5.821 -23.285 301 HA GLN 37 HA GLN 37 31.890 3.550 -25.041 302 HB2 GLN 37 HB2 GLN 37 31.348 6.434 -25.766 303 HB3 GLN 37 HB3 GLN 37 31.631 5.123 -26.903 304 HG2 GLN 37 HG2 GLN 37 29.343 5.191 -24.953 305 HG3 GLN 37 HG3 GLN 37 29.244 5.764 -26.617 306 HE21 GLN 37 HE21 GLN 37 27.663 3.709 -25.516 307 HE22 GLN 37 HE22 GLN 37 28.041 2.241 -26.345 308 H TYR 38 H TYR 38 33.021 6.922 -24.950 309 HA TYR 38 HA TYR 38 35.718 6.167 -24.331 310 HB2 TYR 38 HB2 TYR 38 34.894 6.690 -27.148 311 HB3 TYR 38 HB3 TYR 38 36.442 7.331 -26.611 312 HD1 TYR 38 HD1 TYR 38 37.554 5.310 -24.915 313 HD2 TYR 38 HD2 TYR 38 35.251 4.826 -28.460 314 HE1 TYR 38 HE1 TYR 38 38.596 3.113 -25.285 315 HE2 TYR 38 HE2 TYR 38 36.286 2.627 -28.839 316 HH TYR 38 HH TYR 38 37.694 1.097 -28.069 317 HA PRO 39 HA PRO 39 35.926 10.339 -22.989 318 HB2 PRO 39 HB2 PRO 39 38.565 10.889 -23.314 319 HB3 PRO 39 HB3 PRO 39 37.956 9.818 -22.047 320 HG2 PRO 39 HG2 PRO 39 39.157 9.123 -24.699 321 HG3 PRO 39 HG3 PRO 39 39.440 8.381 -23.114 322 HD2 PRO 39 HD2 PRO 39 37.802 7.279 -24.967 323 HD3 PRO 39 HD3 PRO 39 37.516 7.116 -23.222 324 H GLU 40 H GLU 40 34.621 10.962 -24.945 325 HA GLU 40 HA GLU 40 35.832 13.166 -26.246 326 HB2 GLU 40 HB2 GLU 40 35.436 12.229 -28.605 327 HB3 GLU 40 HB3 GLU 40 36.883 11.713 -27.751 328 HG2 GLU 40 HG2 GLU 40 34.853 9.879 -27.090 329 HG3 GLU 40 HG3 GLU 40 34.770 10.135 -28.832 330 H LEU 41 H LEU 41 33.219 10.809 -26.190 331 HA LEU 41 HA LEU 41 31.346 12.854 -27.150 332 HB2 LEU 41 HB2 LEU 41 29.751 10.895 -27.259 333 HB3 LEU 41 HB3 LEU 41 31.099 10.884 -28.395 334 HG LEU 41 HG LEU 41 30.428 8.688 -27.218 335 HD11 LEU 41 HD11 LEU 41 33.237 8.767 -26.743 336 HD12 LEU 41 HD12 LEU 41 32.870 9.722 -28.179 337 HD13 LEU 41 HD13 LEU 41 32.358 8.037 -28.086 338 HD21 LEU 41 HD21 LEU 41 30.350 9.672 -24.951 339 HD22 LEU 41 HD22 LEU 41 32.091 9.940 -25.036 340 HD23 LEU 41 HD23 LEU 41 31.450 8.297 -25.067 341 H ALA 42 H ALA 42 32.598 12.118 -24.326 342 HA ALA 42 HA ALA 42 30.551 11.449 -22.575 343 HB1 ALA 42 HB1 ALA 42 31.961 13.007 -20.974 344 HB2 ALA 42 HB2 ALA 42 32.580 11.450 -21.528 345 HB3 ALA 42 HB3 ALA 42 33.109 12.939 -22.311 346 H GLU 43 H GLU 43 31.153 14.422 -24.255 347 HA GLU 43 HA GLU 43 29.615 16.129 -22.584 348 HB2 GLU 43 HB2 GLU 43 30.374 16.389 -25.498 349 HB3 GLU 43 HB3 GLU 43 29.634 17.665 -24.542 350 HG2 GLU 43 HG2 GLU 43 31.834 16.859 -23.051 351 HG3 GLU 43 HG3 GLU 43 32.396 16.860 -24.722 352 H SER 44 H SER 44 28.889 14.493 -25.660 353 HA SER 44 HA SER 44 26.287 15.370 -26.009 354 HB2 SER 44 HB2 SER 44 26.246 13.910 -27.737 355 HB3 SER 44 HB3 SER 44 27.940 13.631 -27.332 356 HG SER 44 HG SER 44 27.283 11.870 -26.059 357 H TYR 45 H TYR 45 27.547 12.983 -23.814 358 HA TYR 45 HA TYR 45 25.191 11.595 -23.206 359 HB2 TYR 45 HB2 TYR 45 27.376 10.792 -22.491 360 HB3 TYR 45 HB3 TYR 45 27.579 12.196 -21.449 361 HD1 TYR 45 HD1 TYR 45 25.009 9.528 -21.996 362 HD2 TYR 45 HD2 TYR 45 27.270 11.807 -19.204 363 HE1 TYR 45 HE1 TYR 45 23.953 8.299 -20.146 364 HE2 TYR 45 HE2 TYR 45 26.222 10.583 -17.346 365 HH TYR 45 HH TYR 45 24.390 9.246 -16.823 366 H THR 46 H THR 46 26.413 14.684 -22.116 367 HA THR 46 HA THR 46 24.832 15.084 -19.857 368 HB THR 46 HB THR 46 25.230 17.437 -20.107 369 HG1 THR 46 HG1 THR 46 25.027 18.188 -22.074 370 HG21 THR 46 HG21 THR 46 27.263 15.517 -20.188 371 HG22 THR 46 HG22 THR 46 27.401 17.191 -19.652 372 HG23 THR 46 HG23 THR 46 27.758 16.769 -21.327 373 H LYS 47 H LYS 47 24.156 15.895 -23.252 374 HA LYS 47 HA LYS 47 21.629 17.048 -22.816 375 HB2 LYS 47 HB2 LYS 47 22.713 17.453 -24.898 376 HB3 LYS 47 HB3 LYS 47 22.865 15.733 -25.232 377 HG2 LYS 47 HG2 LYS 47 20.130 16.821 -24.893 378 HG3 LYS 47 HG3 LYS 47 21.007 17.244 -26.365 379 HD2 LYS 47 HD2 LYS 47 20.953 15.122 -27.167 380 HD3 LYS 47 HD3 LYS 47 21.070 14.398 -25.561 381 HE2 LYS 47 HE2 LYS 47 18.885 14.006 -25.612 382 HE3 LYS 47 HE3 LYS 47 18.596 15.744 -25.671 383 HZ1 LYS 47 HZ1 LYS 47 17.784 15.461 -27.696 384 HZ2 LYS 47 HZ2 LYS 47 18.186 13.818 -27.689 385 HZ3 LYS 47 HZ3 LYS 47 19.308 14.960 -28.234 386 H VAL 48 H VAL 48 22.677 13.753 -22.967 387 HA VAL 48 HA VAL 48 19.898 12.808 -23.074 388 HB VAL 48 HB VAL 48 22.322 11.033 -23.171 389 HG11 VAL 48 HG11 VAL 48 20.673 9.523 -23.124 390 HG12 VAL 48 HG12 VAL 48 19.437 10.729 -23.487 391 HG13 VAL 48 HG13 VAL 48 20.368 9.997 -24.795 392 HG21 VAL 48 HG21 VAL 48 20.998 12.415 -25.504 393 HG22 VAL 48 HG22 VAL 48 22.635 12.699 -24.911 394 HG23 VAL 48 HG23 VAL 48 22.212 11.142 -25.624 395 H CYS 49 H CYS 49 21.049 14.059 -20.712 396 HA CYS 49 HA CYS 49 21.958 12.375 -18.748 397 HB2 CYS 49 HB2 CYS 49 20.725 14.958 -18.861 398 HB3 CYS 49 HB3 CYS 49 20.033 14.056 -17.518 399 HG CYS 49 HG CYS 49 21.945 15.337 -16.197 400 HA PRO 50 HA PRO 50 17.447 11.176 -17.525 401 HB2 PRO 50 HB2 PRO 50 15.449 11.934 -19.199 402 HB3 PRO 50 HB3 PRO 50 16.017 12.942 -17.863 403 HG2 PRO 50 HG2 PRO 50 16.692 13.101 -20.775 404 HG3 PRO 50 HG3 PRO 50 16.325 14.412 -19.638 405 HD2 PRO 50 HD2 PRO 50 18.856 13.777 -20.362 406 HD3 PRO 50 HD3 PRO 50 18.453 14.409 -18.753 407 H ASN 51 H ASN 51 18.453 9.195 -18.228 408 HA ASN 51 HA ASN 51 18.487 8.114 -20.753 409 HB2 ASN 51 HB2 ASN 51 18.439 7.005 -18.008 410 HB3 ASN 51 HB3 ASN 51 17.998 5.887 -19.296 411 HD21 ASN 51 HD21 ASN 51 19.571 6.444 -21.327 412 HD22 ASN 51 HD22 ASN 51 21.241 6.295 -20.910 413 H ARG 52 H ARG 52 17.019 7.389 -22.158 414 HA ARG 52 HA ARG 52 14.270 6.947 -21.192 415 HB2 ARG 52 HB2 ARG 52 14.618 9.053 -22.554 416 HB3 ARG 52 HB3 ARG 52 14.997 8.012 -23.920 417 HG2 ARG 52 HG2 ARG 52 12.539 7.154 -22.757 418 HG3 ARG 52 HG3 ARG 52 12.471 8.893 -23.046 419 HD2 ARG 52 HD2 ARG 52 13.260 6.815 -25.084 420 HD3 ARG 52 HD3 ARG 52 11.676 7.581 -24.974 421 HE ARG 52 HE ARG 52 13.320 9.694 -25.201 422 HH11 ARG 52 HH11 ARG 52 13.044 6.735 -27.015 423 HH12 ARG 52 HH12 ARG 52 13.588 7.442 -28.500 424 HH21 ARG 52 HH21 ARG 52 14.038 10.636 -27.151 425 HH22 ARG 52 HH22 ARG 52 14.154 9.660 -28.576 426 H CYS 53 H CYS 53 16.663 5.159 -21.811 427 HA CYS 53 HA CYS 53 15.725 3.588 -24.057 428 HB2 CYS 53 HB2 CYS 53 18.020 3.177 -22.131 429 HB3 CYS 53 HB3 CYS 53 17.669 2.121 -23.495 430 HG CYS 53 HG CYS 53 19.770 3.597 -24.372 431 H ASP 54 H ASP 54 16.774 2.402 -20.886 432 HA ASP 54 HA ASP 54 14.350 1.488 -19.909 433 HB2 ASP 54 HB2 ASP 54 15.301 -0.084 -22.128 434 HB3 ASP 54 HB3 ASP 54 15.283 -1.063 -20.664 435 H LEU 55 H LEU 55 17.304 -0.432 -20.387 436 HA LEU 55 HA LEU 55 17.546 -1.033 -17.628 437 HB2 LEU 55 HB2 LEU 55 19.772 -1.935 -18.270 438 HB3 LEU 55 HB3 LEU 55 18.430 -2.562 -19.224 439 HG LEU 55 HG LEU 55 19.792 -0.246 -20.408 440 HD11 LEU 55 HD11 LEU 55 21.688 -1.658 -21.205 441 HD12 LEU 55 HD12 LEU 55 21.236 -2.856 -19.992 442 HD13 LEU 55 HD13 LEU 55 21.755 -1.247 -19.491 443 HD21 LEU 55 HD21 LEU 55 18.012 -1.990 -21.309 444 HD22 LEU 55 HD22 LEU 55 19.472 -2.883 -21.734 445 HD23 LEU 55 HD23 LEU 55 19.218 -1.257 -22.368 446 H ALA 56 H ALA 56 19.000 1.391 -19.717 447 HA ALA 56 HA ALA 56 20.926 2.296 -17.820 448 HB1 ALA 56 HB1 ALA 56 21.421 4.018 -19.350 449 HB2 ALA 56 HB2 ALA 56 20.998 2.617 -20.335 450 HB3 ALA 56 HB3 ALA 56 19.829 3.916 -20.101 451 H THR 57 H THR 57 17.593 3.088 -18.516 452 HA THR 57 HA THR 57 17.523 5.523 -17.036 453 HB THR 57 HB THR 57 15.191 3.719 -17.703 454 HG1 THR 57 HG1 THR 57 16.324 4.285 -19.599 455 HG21 THR 57 HG21 THR 57 15.379 6.665 -17.068 456 HG22 THR 57 HG22 THR 57 14.620 5.417 -16.080 457 HG23 THR 57 HG23 THR 57 13.923 5.853 -17.640 458 H ALA 58 H ALA 58 16.688 2.162 -16.298 459 HA ALA 58 HA ALA 58 15.733 2.726 -13.667 460 HB1 ALA 58 HB1 ALA 58 16.511 0.039 -13.756 461 HB2 ALA 58 HB2 ALA 58 14.892 0.697 -13.999 462 HB3 ALA 58 HB3 ALA 58 15.953 0.431 -15.383 463 H ALA 59 H ALA 59 18.756 1.344 -14.936 464 HA ALA 59 HA ALA 59 20.033 0.933 -12.484 465 HB1 ALA 59 HB1 ALA 59 20.991 -0.096 -14.363 466 HB2 ALA 59 HB2 ALA 59 21.092 1.425 -15.251 467 HB3 ALA 59 HB3 ALA 59 22.157 1.134 -13.875 468 H ASP 60 H ASP 60 19.520 3.830 -14.329 469 HA ASP 60 HA ASP 60 21.545 5.400 -13.077 470 HB2 ASP 60 HB2 ASP 60 20.609 5.996 -15.270 471 HB3 ASP 60 HB3 ASP 60 19.036 6.271 -14.526 472 H ARG 61 H ARG 61 18.025 5.149 -12.630 473 HA ARG 61 HA ARG 61 17.703 7.023 -10.622 474 HB2 ARG 61 HB2 ARG 61 16.210 4.727 -11.631 475 HB3 ARG 61 HB3 ARG 61 15.943 5.008 -9.916 476 HG2 ARG 61 HG2 ARG 61 14.271 6.171 -11.185 477 HG3 ARG 61 HG3 ARG 61 15.345 7.347 -10.426 478 HD2 ARG 61 HD2 ARG 61 16.240 6.533 -13.074 479 HD3 ARG 61 HD3 ARG 61 14.638 7.268 -13.089 480 HE ARG 61 HE ARG 61 17.122 8.592 -12.647 481 HH11 ARG 61 HH11 ARG 61 13.743 8.633 -11.812 482 HH12 ARG 61 HH12 ARG 61 13.714 10.331 -11.472 483 HH21 ARG 61 HH21 ARG 61 17.096 10.829 -12.203 484 HH22 ARG 61 HH22 ARG 61 15.621 11.580 -11.696 485 H ALA 62 H ALA 62 18.832 3.700 -10.411 486 HA ALA 62 HA ALA 62 18.919 3.750 -7.517 487 HB1 ALA 62 HB1 ALA 62 18.363 1.663 -8.566 488 HB2 ALA 62 HB2 ALA 62 19.850 1.694 -9.516 489 HB3 ALA 62 HB3 ALA 62 19.925 1.493 -7.765 490 H ALA 63 H ALA 63 21.293 3.570 -10.166 491 HA ALA 63 HA ALA 63 23.620 3.572 -8.670 492 HB1 ALA 63 HB1 ALA 63 23.732 3.186 -11.016 493 HB2 ALA 63 HB2 ALA 63 23.062 4.779 -11.371 494 HB3 ALA 63 HB3 ALA 63 24.677 4.637 -10.676 495 H LYS 64 H LYS 64 21.408 6.172 -9.308 496 HA LYS 64 HA LYS 64 23.063 8.372 -8.797 497 HB2 LYS 64 HB2 LYS 64 20.123 7.870 -8.653 498 HB3 LYS 64 HB3 LYS 64 20.755 9.349 -7.942 499 HG2 LYS 64 HG2 LYS 64 21.177 8.483 -10.795 500 HG3 LYS 64 HG3 LYS 64 19.978 9.659 -10.250 501 HD2 LYS 64 HD2 LYS 64 22.976 9.899 -10.001 502 HD3 LYS 64 HD3 LYS 64 21.938 10.802 -11.106 503 HE2 LYS 64 HE2 LYS 64 20.741 11.685 -9.071 504 HE3 LYS 64 HE3 LYS 64 22.023 10.963 -8.100 505 HZ1 LYS 64 HZ1 LYS 64 23.459 12.566 -8.662 506 HZ2 LYS 64 HZ2 LYS 64 22.083 13.456 -9.086 507 HZ3 LYS 64 HZ3 LYS 64 22.950 12.622 -10.275 508 H GLY 65 H GLY 65 21.892 5.942 -6.702 509 HA2 GLY 65 HA2 GLY 65 22.964 5.749 -4.530 510 HA3 GLY 65 HA3 GLY 65 22.869 7.499 -4.393 511 H ALA 66 H ALA 66 20.119 5.934 -5.708 512 HA ALA 66 HA ALA 66 17.955 5.864 -4.976 513 HB1 ALA 66 HB1 ALA 66 17.603 4.547 -2.956 514 HB2 ALA 66 HB2 ALA 66 18.862 3.831 -3.964 515 HB3 ALA 66 HB3 ALA 66 19.301 4.744 -2.521 516 H TYR 67 H TYR 67 18.215 8.323 -4.934 517 HA TYR 67 HA TYR 67 18.614 9.843 -2.682 518 HB2 TYR 67 HB2 TYR 67 17.711 10.326 -5.243 519 HB3 TYR 67 HB3 TYR 67 16.328 10.777 -4.253 520 HD1 TYR 67 HD1 TYR 67 20.045 11.216 -4.116 521 HD2 TYR 67 HD2 TYR 67 16.207 13.009 -3.719 522 HE1 TYR 67 HE1 TYR 67 21.112 13.376 -3.621 523 HE2 TYR 67 HE2 TYR 67 17.263 15.175 -3.224 524 HH TYR 67 HH TYR 67 20.089 15.648 -2.188 525 H GLY 68 H GLY 68 15.820 7.915 -3.538 526 HA2 GLY 68 HA2 GLY 68 14.093 7.162 -2.208 527 HA3 GLY 68 HA3 GLY 68 14.875 7.938 -0.838 528 H TYR 69 H TYR 69 12.974 8.775 0.001 529 HA TYR 69 HA TYR 69 11.220 10.211 0.247 530 HB2 TYR 69 HB2 TYR 69 13.319 11.749 -1.191 531 HB3 TYR 69 HB3 TYR 69 11.718 12.473 -1.095 532 HD1 TYR 69 HD1 TYR 69 10.717 11.947 1.491 533 HD2 TYR 69 HD2 TYR 69 14.751 12.678 0.353 534 HE1 TYR 69 HE1 TYR 69 11.209 12.743 3.766 535 HE2 TYR 69 HE2 TYR 69 15.254 13.474 2.625 536 HH TYR 69 HH TYR 69 12.764 14.035 4.968 537 H ASP 70 H ASP 70 9.693 8.926 -0.853 538 HA ASP 70 HA ASP 70 8.798 10.112 -3.377 539 HB2 ASP 70 HB2 ASP 70 10.102 7.705 -3.374 540 HB3 ASP 70 HB3 ASP 70 8.420 7.198 -3.240 541 H VAL 71 H VAL 71 6.768 10.749 -3.149 542 HA VAL 71 HA VAL 71 5.162 10.215 -0.935 543 HB VAL 71 HB VAL 71 4.874 12.132 -2.521 544 HG11 VAL 71 HG11 VAL 71 4.960 10.577 -4.552 545 HG12 VAL 71 HG12 VAL 71 3.256 10.259 -4.218 546 HG13 VAL 71 HG13 VAL 71 3.794 11.899 -4.583 547 HG21 VAL 71 HG21 VAL 71 3.173 11.876 -0.928 548 HG22 VAL 71 HG22 VAL 71 2.321 12.005 -2.467 549 HG23 VAL 71 HG23 VAL 71 2.538 10.427 -1.709 550 H GLN 72 H GLN 72 5.600 8.439 -3.883 551 HA GLN 72 HA GLN 72 4.365 6.120 -2.903 552 HB2 GLN 72 HB2 GLN 72 2.426 7.852 -3.579 553 HB3 GLN 72 HB3 GLN 72 2.696 7.106 -5.148 554 HG2 GLN 72 HG2 GLN 72 1.406 5.423 -4.538 555 HG3 GLN 72 HG3 GLN 72 2.570 5.010 -3.281 556 HE21 GLN 72 HE21 GLN 72 2.354 6.329 -1.249 557 HE22 GLN 72 HE22 GLN 72 0.750 6.635 -0.685 558 H LEU 73 H LEU 73 6.778 6.605 -4.086 559 HA LEU 73 HA LEU 73 8.191 5.952 -5.750 560 HB2 LEU 73 HB2 LEU 73 6.034 3.895 -6.201 561 HB3 LEU 73 HB3 LEU 73 7.696 3.792 -6.777 562 HG LEU 73 HG LEU 73 7.688 2.391 -4.933 563 HD11 LEU 73 HD11 LEU 73 9.263 3.299 -3.557 564 HD12 LEU 73 HD12 LEU 73 8.408 4.834 -3.404 565 HD13 LEU 73 HD13 LEU 73 9.312 4.472 -4.874 566 HD21 LEU 73 HD21 LEU 73 6.470 2.664 -2.957 567 HD22 LEU 73 HD22 LEU 73 5.381 3.242 -4.218 568 HD23 LEU 73 HD23 LEU 73 6.261 4.396 -3.216 569 H THR 74 H THR 74 6.545 8.071 -6.484 570 HA THR 74 HA THR 74 5.376 7.588 -9.063 571 HB THR 74 HB THR 74 6.059 10.233 -7.767 572 HG1 THR 74 HG1 THR 74 3.728 8.603 -7.664 573 HG21 THR 74 HG21 THR 74 3.888 10.671 -9.331 574 HG22 THR 74 HG22 THR 74 4.740 9.456 -10.283 575 HG23 THR 74 HG23 THR 74 5.550 10.960 -9.844 576 H THR 75 H THR 75 8.507 8.381 -7.879 577 HA THR 75 HA THR 75 9.566 9.728 -10.111 578 HB THR 75 HB THR 75 11.758 9.183 -9.244 579 HG1 THR 75 HG1 THR 75 11.884 7.191 -8.502 580 HG21 THR 75 HG21 THR 75 10.623 10.919 -8.037 581 HG22 THR 75 HG22 THR 75 11.474 9.911 -6.868 582 HG23 THR 75 HG23 THR 75 9.732 9.738 -7.078 583 H LEU 76 H LEU 76 9.655 6.280 -9.226 584 HA LEU 76 HA LEU 76 10.958 5.503 -11.648 585 HB2 LEU 76 HB2 LEU 76 9.858 4.165 -9.264 586 HB3 LEU 76 HB3 LEU 76 9.873 3.203 -10.740 587 HG LEU 76 HG LEU 76 12.428 4.468 -10.352 588 HD11 LEU 76 HD11 LEU 76 11.300 2.923 -8.034 589 HD12 LEU 76 HD12 LEU 76 12.063 4.512 -8.023 590 HD13 LEU 76 HD13 LEU 76 13.032 3.072 -8.332 591 HD21 LEU 76 HD21 LEU 76 11.420 1.637 -10.507 592 HD22 LEU 76 HD22 LEU 76 13.130 2.044 -10.360 593 HD23 LEU 76 HD23 LEU 76 12.213 2.583 -11.767 594 H LYS 77 H LYS 77 7.626 5.581 -10.511 595 HA LYS 77 HA LYS 77 6.498 4.159 -12.686 596 HB2 LYS 77 HB2 LYS 77 5.575 5.265 -10.291 597 HB3 LYS 77 HB3 LYS 77 4.706 6.135 -11.549 598 HG2 LYS 77 HG2 LYS 77 3.421 4.228 -10.849 599 HG3 LYS 77 HG3 LYS 77 3.984 3.981 -12.503 600 HD2 LYS 77 HD2 LYS 77 4.241 1.940 -11.212 601 HD3 LYS 77 HD3 LYS 77 5.824 2.588 -11.650 602 HE2 LYS 77 HE2 LYS 77 4.871 3.620 -9.109 603 HE3 LYS 77 HE3 LYS 77 4.979 1.860 -9.114 604 HZ1 LYS 77 HZ1 LYS 77 7.174 3.714 -9.869 605 HZ2 LYS 77 HZ2 LYS 77 7.271 2.025 -9.826 606 HZ3 LYS 77 HZ3 LYS 77 7.047 2.896 -8.393 607 H GLU 78 H GLU 78 7.344 7.515 -12.179 608 HA GLU 78 HA GLU 78 5.915 8.508 -14.451 609 HB2 GLU 78 HB2 GLU 78 6.470 9.949 -12.540 610 HB3 GLU 78 HB3 GLU 78 8.182 9.747 -12.882 611 HG2 GLU 78 HG2 GLU 78 8.161 11.348 -14.416 612 HG3 GLU 78 HG3 GLU 78 6.730 10.683 -15.201 613 H ASP 79 H ASP 79 9.141 7.294 -13.854 614 HA ASP 79 HA ASP 79 10.255 8.182 -16.329 615 HB2 ASP 79 HB2 ASP 79 11.177 6.836 -13.974 616 HB3 ASP 79 HB3 ASP 79 11.682 5.918 -15.390 617 H ILE 80 H ILE 80 9.056 5.045 -15.160 618 HA ILE 80 HA ILE 80 9.535 3.553 -17.461 619 HB ILE 80 HB ILE 80 8.892 2.462 -15.408 620 HG12 ILE 80 HG12 ILE 80 7.199 0.904 -16.263 621 HG13 ILE 80 HG13 ILE 80 6.765 2.054 -17.523 622 HG21 ILE 80 HG21 ILE 80 7.365 4.254 -14.622 623 HG22 ILE 80 HG22 ILE 80 6.151 3.664 -15.756 624 HG23 ILE 80 HG23 ILE 80 6.701 2.631 -14.437 625 HD11 ILE 80 HD11 ILE 80 8.341 0.065 -18.054 626 HD12 ILE 80 HD12 ILE 80 8.682 1.660 -18.724 627 HD13 ILE 80 HD13 ILE 80 9.575 1.086 -17.316 628 H ARG 81 H ARG 81 6.771 5.580 -16.598 629 HA ARG 81 HA ARG 81 5.246 4.892 -18.917 630 HB2 ARG 81 HB2 ARG 81 3.727 6.637 -18.217 631 HB3 ARG 81 HB3 ARG 81 4.224 5.706 -16.810 632 HG2 ARG 81 HG2 ARG 81 5.741 7.441 -16.131 633 HG3 ARG 81 HG3 ARG 81 5.422 8.348 -17.610 634 HD2 ARG 81 HD2 ARG 81 4.121 9.388 -15.949 635 HD3 ARG 81 HD3 ARG 81 2.993 8.400 -16.876 636 HE ARG 81 HE ARG 81 4.036 7.025 -14.598 637 HH11 ARG 81 HH11 ARG 81 1.648 9.327 -15.656 638 HH12 ARG 81 HH12 ARG 81 0.563 9.000 -14.345 639 HH21 ARG 81 HH21 ARG 81 2.616 6.586 -12.867 640 HH22 ARG 81 HH22 ARG 81 1.115 7.442 -12.759 641 H LEU 82 H LEU 82 7.577 7.372 -18.105 642 HA LEU 82 HA LEU 82 7.062 9.116 -20.265 643 HB2 LEU 82 HB2 LEU 82 8.395 9.629 -18.201 644 HB3 LEU 82 HB3 LEU 82 9.706 8.676 -18.892 645 HG LEU 82 HG LEU 82 9.887 11.190 -19.118 646 HD11 LEU 82 HD11 LEU 82 10.984 9.330 -20.560 647 HD12 LEU 82 HD12 LEU 82 11.051 11.006 -21.101 648 HD13 LEU 82 HD13 LEU 82 9.878 9.897 -21.811 649 HD21 LEU 82 HD21 LEU 82 7.987 10.927 -21.410 650 HD22 LEU 82 HD22 LEU 82 8.535 12.375 -20.566 651 HD23 LEU 82 HD23 LEU 82 7.378 11.290 -19.795 652 H MET 83 H MET 83 9.368 6.446 -19.867 653 HA MET 83 HA MET 83 10.640 6.687 -22.349 654 HB2 MET 83 HB2 MET 83 10.250 4.417 -20.430 655 HB3 MET 83 HB3 MET 83 11.011 4.130 -21.989 656 HG2 MET 83 HG2 MET 83 12.782 5.645 -21.483 657 HG3 MET 83 HG3 MET 83 11.969 6.184 -20.015 658 HE1 MET 83 HE1 MET 83 12.465 4.500 -17.449 659 HE2 MET 83 HE2 MET 83 11.018 4.445 -18.457 660 HE3 MET 83 HE3 MET 83 11.816 2.947 -17.980 661 H VAL 84 H VAL 84 7.954 4.545 -21.394 662 HA VAL 84 HA VAL 84 7.508 3.435 -23.929 663 HB VAL 84 HB VAL 84 6.564 2.462 -21.892 664 HG11 VAL 84 HG11 VAL 84 6.011 4.543 -20.730 665 HG12 VAL 84 HG12 VAL 84 4.713 4.844 -21.886 666 HG13 VAL 84 HG13 VAL 84 4.624 3.457 -20.801 667 HG21 VAL 84 HG21 VAL 84 5.418 2.510 -24.343 668 HG22 VAL 84 HG22 VAL 84 4.832 1.536 -22.994 669 HG23 VAL 84 HG23 VAL 84 4.086 3.094 -23.346 670 H ASN 85 H ASN 85 6.367 6.407 -22.455 671 HA ASN 85 HA ASN 85 4.326 7.023 -24.286 672 HB2 ASN 85 HB2 ASN 85 6.006 8.636 -22.399 673 HB3 ASN 85 HB3 ASN 85 4.957 9.460 -23.549 674 HD21 ASN 85 HD21 ASN 85 4.786 9.458 -20.682 675 HD22 ASN 85 HD22 ASN 85 3.243 8.797 -20.273 676 H ASN 86 H ASN 86 7.681 8.230 -24.162 677 HA ASN 86 HA ASN 86 7.508 9.489 -26.714 678 HB2 ASN 86 HB2 ASN 86 9.097 10.046 -24.760 679 HB3 ASN 86 HB3 ASN 86 10.085 8.717 -25.361 680 HD21 ASN 86 HD21 ASN 86 8.614 11.785 -26.265 681 HD22 ASN 86 HD22 ASN 86 9.784 12.198 -27.468 682 H CYS 87 H CYS 87 8.116 6.287 -25.676 683 HA CYS 87 HA CYS 87 9.787 5.337 -27.707 684 HB2 CYS 87 HB2 CYS 87 7.952 4.161 -25.727 685 HB3 CYS 87 HB3 CYS 87 8.198 3.180 -27.167 686 HG CYS 87 HG CYS 87 9.900 2.353 -25.051 687 H ILE 88 H ILE 88 6.234 5.068 -27.499 688 HA ILE 88 HA ILE 88 6.045 4.315 -30.274 689 HB ILE 88 HB ILE 88 3.630 4.274 -29.915 690 HG12 ILE 88 HG12 ILE 88 3.175 4.621 -27.245 691 HG13 ILE 88 HG13 ILE 88 4.379 5.868 -27.552 692 HG21 ILE 88 HG21 ILE 88 3.894 2.245 -29.057 693 HG22 ILE 88 HG22 ILE 88 5.544 2.680 -28.615 694 HG23 ILE 88 HG23 ILE 88 4.230 2.922 -27.464 695 HD11 ILE 88 HD11 ILE 88 1.597 5.894 -28.109 696 HD12 ILE 88 HD12 ILE 88 2.788 7.172 -28.349 697 HD13 ILE 88 HD13 ILE 88 2.478 6.003 -29.633 698 H LEU 89 H LEU 89 5.672 7.221 -28.379 699 HA LEU 89 HA LEU 89 4.279 8.744 -30.329 700 HB2 LEU 89 HB2 LEU 89 4.185 9.474 -28.079 701 HB3 LEU 89 HB3 LEU 89 5.942 9.490 -27.938 702 HG LEU 89 HG LEU 89 5.193 11.303 -30.002 703 HD11 LEU 89 HD11 LEU 89 3.674 11.644 -27.423 704 HD12 LEU 89 HD12 LEU 89 2.998 11.439 -29.039 705 HD13 LEU 89 HD13 LEU 89 3.889 12.907 -28.635 706 HD21 LEU 89 HD21 LEU 89 7.161 11.183 -28.294 707 HD22 LEU 89 HD22 LEU 89 6.081 12.138 -27.277 708 HD23 LEU 89 HD23 LEU 89 6.573 12.749 -28.857 709 H PHE 90 H PHE 90 7.645 9.141 -29.214 710 HA PHE 90 HA PHE 90 8.466 10.727 -31.362 711 HB2 PHE 90 HB2 PHE 90 9.672 10.398 -29.165 712 HB3 PHE 90 HB3 PHE 90 10.249 8.859 -29.795 713 HD1 PHE 90 HD1 PHE 90 10.437 12.507 -30.135 714 HD2 PHE 90 HD2 PHE 90 11.976 8.762 -31.446 715 HE1 PHE 90 HE1 PHE 90 12.326 13.663 -31.208 716 HE2 PHE 90 HE2 PHE 90 13.867 9.911 -32.520 717 HZ PHE 90 HZ PHE 90 14.045 12.364 -32.401 718 H ASN 91 H ASN 91 9.280 7.295 -30.811 719 HA ASN 91 HA ASN 91 8.625 6.379 -33.354 720 HB2 ASN 91 HB2 ASN 91 11.039 7.912 -33.335 721 HB3 ASN 91 HB3 ASN 91 11.450 6.228 -33.649 722 HD21 ASN 91 HD21 ASN 91 9.397 5.308 -35.097 723 HD22 ASN 91 HD22 ASN 91 9.254 6.175 -36.584 724 H GLY 92 H GLY 92 8.192 4.351 -32.790 725 HA2 GLY 92 HA2 GLY 92 10.244 2.567 -31.945 726 HA3 GLY 92 HA3 GLY 92 9.179 2.971 -30.607 727 H ALA 93 H ALA 93 6.779 2.740 -31.145 728 HA ALA 93 HA ALA 93 6.426 0.128 -32.420 729 HB1 ALA 93 HB1 ALA 93 4.137 1.329 -31.024 730 HB2 ALA 93 HB2 ALA 93 4.811 -0.298 -30.916 731 HB3 ALA 93 HB3 ALA 93 5.553 1.025 -30.017 732 H GLU 94 H GLU 94 4.547 3.158 -32.190 733 HA GLU 94 HA GLU 94 3.170 4.204 -33.670 734 HB2 GLU 94 HB2 GLU 94 5.564 3.894 -34.920 735 HB3 GLU 94 HB3 GLU 94 4.494 3.088 -36.058 736 HG2 GLU 94 HG2 GLU 94 3.524 5.004 -36.710 737 HG3 GLU 94 HG3 GLU 94 3.553 5.696 -35.090 738 H GLY 95 H GLY 95 2.705 1.323 -32.918 739 HA2 GLY 95 HA2 GLY 95 0.300 0.869 -34.156 740 HA3 GLY 95 HA3 GLY 95 1.480 0.079 -35.190 741 H ALA 96 H ALA 96 3.189 -0.509 -32.802 742 HA ALA 96 HA ALA 96 1.589 -2.750 -31.747 743 HB1 ALA 96 HB1 ALA 96 4.576 -2.829 -31.885 744 HB2 ALA 96 HB2 ALA 96 3.420 -4.161 -31.850 745 HB3 ALA 96 HB3 ALA 96 3.608 -3.195 -33.313 746 H TYR 97 H TYR 97 1.338 -0.433 -30.400 747 HA TYR 97 HA TYR 97 3.186 0.255 -28.470 748 HB2 TYR 97 HB2 TYR 97 1.335 1.178 -27.198 749 HB3 TYR 97 HB3 TYR 97 1.082 1.485 -28.913 750 HD1 TYR 97 HD1 TYR 97 -0.603 0.144 -30.166 751 HD2 TYR 97 HD2 TYR 97 -0.199 -0.135 -25.940 752 HE1 TYR 97 HE1 TYR 97 -2.827 -0.897 -30.028 753 HE2 TYR 97 HE2 TYR 97 -2.422 -1.178 -25.790 754 HH TYR 97 HH TYR 97 -4.493 -1.292 -27.095 755 H ALA 98 H ALA 98 1.079 -2.513 -28.609 756 HA ALA 98 HA ALA 98 1.034 -3.318 -25.955 757 HB1 ALA 98 HB1 ALA 98 -0.351 -4.506 -27.409 758 HB2 ALA 98 HB2 ALA 98 0.967 -4.857 -28.528 759 HB3 ALA 98 HB3 ALA 98 0.896 -5.671 -26.965 760 H ASP 99 H ASP 99 3.605 -3.490 -28.301 761 HA ASP 99 HA ASP 99 5.226 -5.419 -27.055 762 HB2 ASP 99 HB2 ASP 99 5.859 -3.110 -28.890 763 HB3 ASP 99 HB3 ASP 99 7.103 -4.209 -28.301 764 H ALA 100 H ALA 100 5.009 -1.913 -26.649 765 HA ALA 100 HA ALA 100 7.150 -1.838 -24.721 766 HB1 ALA 100 HB1 ALA 100 6.803 0.492 -24.628 767 HB2 ALA 100 HB2 ALA 100 6.531 0.036 -26.311 768 HB3 ALA 100 HB3 ALA 100 5.158 0.350 -25.250 769 H ALA 101 H ALA 101 3.739 -2.318 -24.669 770 HA ALA 101 HA ALA 101 3.235 -1.474 -22.004 771 HB1 ALA 101 HB1 ALA 101 1.650 -3.575 -23.447 772 HB2 ALA 101 HB2 ALA 101 1.097 -2.396 -22.257 773 HB3 ALA 101 HB3 ALA 101 1.545 -1.867 -23.878 774 H ARG 102 H ARG 102 4.430 -4.426 -23.428 775 HA ARG 102 HA ARG 102 3.952 -6.196 -21.308 776 HB2 ARG 102 HB2 ARG 102 4.928 -6.529 -23.761 777 HB3 ARG 102 HB3 ARG 102 6.457 -6.466 -22.897 778 HG2 ARG 102 HG2 ARG 102 4.210 -8.340 -22.200 779 HG3 ARG 102 HG3 ARG 102 5.562 -8.758 -23.254 780 HD2 ARG 102 HD2 ARG 102 6.809 -7.709 -21.042 781 HD3 ARG 102 HD3 ARG 102 5.436 -8.568 -20.345 782 HE ARG 102 HE ARG 102 6.808 -10.158 -22.268 783 HH11 ARG 102 HH11 ARG 102 6.945 -9.015 -18.982 784 HH12 ARG 102 HH12 ARG 102 7.881 -10.359 -18.416 785 HH21 ARG 102 HH21 ARG 102 8.039 -11.933 -21.534 786 HH22 ARG 102 HH22 ARG 102 8.503 -12.017 -19.869 787 H THR 103 H THR 103 6.867 -4.292 -22.061 788 HA THR 103 HA THR 103 8.294 -5.056 -19.746 789 HB THR 103 HB THR 103 9.472 -4.139 -21.656 790 HG1 THR 103 HG1 THR 103 10.245 -3.743 -19.432 791 HG21 THR 103 HG21 THR 103 7.834 -2.589 -22.507 792 HG22 THR 103 HG22 THR 103 9.321 -1.708 -22.163 793 HG23 THR 103 HG23 THR 103 7.955 -1.600 -21.053 794 H PHE 104 H PHE 104 5.954 -2.544 -20.379 795 HA PHE 104 HA PHE 104 6.466 -0.896 -18.161 796 HB2 PHE 104 HB2 PHE 104 5.067 -0.111 -19.968 797 HB3 PHE 104 HB3 PHE 104 3.905 -1.403 -19.685 798 HD1 PHE 104 HD1 PHE 104 2.429 -1.342 -17.737 799 HD2 PHE 104 HD2 PHE 104 5.097 1.856 -18.614 800 HE1 PHE 104 HE1 PHE 104 1.176 0.119 -16.203 801 HE2 PHE 104 HE2 PHE 104 3.850 3.322 -17.081 802 HZ PHE 104 HZ PHE 104 1.887 2.454 -15.873 803 H GLU 105 H GLU 105 4.024 -3.462 -18.567 804 HA GLU 105 HA GLU 105 2.960 -3.413 -16.012 805 HB2 GLU 105 HB2 GLU 105 3.204 -5.508 -18.121 806 HB3 GLU 105 HB3 GLU 105 2.677 -6.001 -16.518 807 HG2 GLU 105 HG2 GLU 105 1.353 -3.724 -17.933 808 HG3 GLU 105 HG3 GLU 105 0.908 -5.394 -18.280 809 H LYS 106 H LYS 106 5.752 -5.233 -17.219 810 HA LYS 106 HA LYS 106 6.338 -6.725 -14.958 811 HB2 LYS 106 HB2 LYS 106 7.444 -6.792 -17.266 812 HB3 LYS 106 HB3 LYS 106 8.459 -5.474 -16.695 813 HG2 LYS 106 HG2 LYS 106 9.639 -7.536 -16.423 814 HG3 LYS 106 HG3 LYS 106 9.206 -6.917 -14.827 815 HD2 LYS 106 HD2 LYS 106 7.492 -8.508 -14.561 816 HD3 LYS 106 HD3 LYS 106 7.496 -8.920 -16.277 817 HE2 LYS 106 HE2 LYS 106 9.037 -10.491 -15.954 818 HE3 LYS 106 HE3 LYS 106 10.102 -9.347 -15.139 819 HZ1 LYS 106 HZ1 LYS 106 7.872 -10.218 -13.536 820 HZ2 LYS 106 HZ2 LYS 106 9.514 -10.115 -13.141 821 HZ3 LYS 106 HZ3 LYS 106 8.927 -11.469 -13.967 822 H PHE 107 H PHE 107 7.378 -3.432 -15.778 823 HA PHE 107 HA PHE 107 9.073 -2.950 -13.642 824 HB2 PHE 107 HB2 PHE 107 7.532 -1.315 -15.531 825 HB3 PHE 107 HB3 PHE 107 7.856 -0.515 -13.997 826 HD1 PHE 107 HD1 PHE 107 9.585 -2.452 -16.667 827 HD2 PHE 107 HD2 PHE 107 9.853 0.596 -13.708 828 HE1 PHE 107 HE1 PHE 107 11.858 -1.910 -17.437 829 HE2 PHE 107 HE2 PHE 107 12.126 1.144 -14.474 830 HZ PHE 107 HZ PHE 107 13.132 -0.110 -16.339 831 H ALA 108 H ALA 108 5.558 -2.503 -13.829 832 HA ALA 108 HA ALA 108 5.155 -1.390 -11.303 833 HB1 ALA 108 HB1 ALA 108 2.847 -2.610 -11.570 834 HB2 ALA 108 HB2 ALA 108 3.283 -1.260 -12.619 835 HB3 ALA 108 HB3 ALA 108 3.442 -2.917 -13.202 836 H MET 109 H MET 109 5.156 -4.800 -12.306 837 HA MET 109 HA MET 109 4.492 -5.920 -9.833 838 HB2 MET 109 HB2 MET 109 4.862 -6.949 -12.268 839 HB3 MET 109 HB3 MET 109 6.424 -7.364 -11.575 840 HG2 MET 109 HG2 MET 109 5.464 -9.175 -10.745 841 HG3 MET 109 HG3 MET 109 4.599 -8.115 -9.634 842 HE1 MET 109 HE1 MET 109 4.125 -9.966 -13.311 843 HE2 MET 109 HE2 MET 109 4.472 -10.818 -11.805 844 HE3 MET 109 HE3 MET 109 2.865 -10.919 -12.525 845 H GLY 110 H GLY 110 7.678 -5.192 -11.233 846 HA2 GLY 110 HA2 GLY 110 9.274 -6.238 -9.206 847 HA3 GLY 110 HA3 GLY 110 9.727 -4.894 -10.244 848 H LYS 111 H LYS 111 7.636 -3.124 -9.393 849 HA LYS 111 HA LYS 111 8.908 -1.909 -7.194 850 HB2 LYS 111 HB2 LYS 111 7.488 -0.767 -8.941 851 HB3 LYS 111 HB3 LYS 111 6.075 -1.408 -8.112 852 HG2 LYS 111 HG2 LYS 111 8.015 0.093 -6.464 853 HG3 LYS 111 HG3 LYS 111 7.069 1.018 -7.633 854 HD2 LYS 111 HD2 LYS 111 5.586 -0.935 -5.980 855 HD3 LYS 111 HD3 LYS 111 6.219 0.485 -5.145 856 HE2 LYS 111 HE2 LYS 111 5.109 1.918 -6.827 857 HE3 LYS 111 HE3 LYS 111 4.419 0.474 -7.566 858 HZ1 LYS 111 HZ1 LYS 111 3.922 1.421 -4.795 859 HZ2 LYS 111 HZ2 LYS 111 3.287 0.006 -5.471 860 HZ3 LYS 111 HZ3 LYS 111 2.836 1.514 -6.089 861 H ILE 112 H ILE 112 6.012 -3.919 -7.437 862 HA ILE 112 HA ILE 112 5.059 -3.642 -4.835 863 HB ILE 112 HB ILE 112 4.953 -6.180 -6.465 864 HG12 ILE 112 HG12 ILE 112 4.179 -4.372 -7.864 865 HG13 ILE 112 HG13 ILE 112 2.777 -5.275 -7.301 866 HG21 ILE 112 HG21 ILE 112 2.704 -6.325 -5.244 867 HG22 ILE 112 HG22 ILE 112 4.167 -6.669 -4.322 868 HG23 ILE 112 HG23 ILE 112 3.369 -5.105 -4.157 869 HD11 ILE 112 HD11 ILE 112 3.397 -2.498 -6.995 870 HD12 ILE 112 HD12 ILE 112 1.906 -3.363 -6.622 871 HD13 ILE 112 HD13 ILE 112 3.187 -3.253 -5.415 872 H ASP 113 H ASP 113 7.334 -6.044 -6.145 873 HA ASP 113 HA ASP 113 7.763 -7.505 -3.819 874 HB2 ASP 113 HB2 ASP 113 9.383 -6.986 -6.278 875 HB3 ASP 113 HB3 ASP 113 10.141 -7.813 -4.920 876 H ALA 114 H ALA 114 9.469 -4.628 -5.007 877 HA ALA 114 HA ALA 114 11.418 -4.437 -3.037 878 HB1 ALA 114 HB1 ALA 114 10.965 -1.836 -3.552 879 HB2 ALA 114 HB2 ALA 114 11.859 -2.904 -4.633 880 HB3 ALA 114 HB3 ALA 114 10.155 -2.569 -4.937 881 H TYR 115 H TYR 115 8.116 -3.137 -3.059 882 HA TYR 115 HA TYR 115 8.162 -1.674 -0.720 883 HB2 TYR 115 HB2 TYR 115 6.233 -1.583 -2.136 884 HB3 TYR 115 HB3 TYR 115 5.935 -3.307 -1.944 885 HD1 TYR 115 HD1 TYR 115 6.482 -0.436 0.398 886 HD2 TYR 115 HD2 TYR 115 4.048 -3.746 -0.707 887 HE1 TYR 115 HE1 TYR 115 4.985 0.040 2.291 888 HE2 TYR 115 HE2 TYR 115 2.544 -3.278 1.182 889 HH TYR 115 HH TYR 115 2.198 -2.040 2.997 890 H ILE 116 H ILE 116 7.428 -5.130 -1.113 891 HA ILE 116 HA ILE 116 6.907 -5.712 1.569 892 HB ILE 116 HB ILE 116 8.146 -7.539 -0.493 893 HG12 ILE 116 HG12 ILE 116 5.245 -7.101 0.246 894 HG13 ILE 116 HG13 ILE 116 6.015 -6.546 -1.236 895 HG21 ILE 116 HG21 ILE 116 7.189 -9.346 0.875 896 HG22 ILE 116 HG22 ILE 116 8.401 -8.412 1.752 897 HG23 ILE 116 HG23 ILE 116 6.686 -8.153 2.072 898 HD11 ILE 116 HD11 ILE 116 6.593 -9.149 -1.396 899 HD12 ILE 116 HD12 ILE 116 5.098 -9.237 -0.465 900 HD13 ILE 116 HD13 ILE 116 5.111 -8.443 -2.040 901 H SER 117 H SER 117 9.946 -5.563 -0.209 902 HA SER 117 HA SER 117 11.577 -6.667 1.824 903 HB2 SER 117 HB2 SER 117 11.948 -5.469 -0.783 904 HB3 SER 117 HB3 SER 117 13.171 -4.890 0.347 905 HG SER 117 HG SER 117 14.012 -6.832 0.449 906 H GLN 118 H GLN 118 10.143 -3.571 1.394 907 HA GLN 118 HA GLN 118 11.684 -2.550 3.688 908 HB2 GLN 118 HB2 GLN 118 11.331 -0.269 2.749 909 HB3 GLN 118 HB3 GLN 118 12.346 -1.297 1.746 910 HG2 GLN 118 HG2 GLN 118 9.975 -1.807 0.624 911 HG3 GLN 118 HG3 GLN 118 9.669 -0.177 1.220 912 HE21 GLN 118 HE21 GLN 118 12.487 -1.804 -0.199 913 HE22 GLN 118 HE22 GLN 118 12.749 -0.635 -1.443 914 H LYS 119 H LYS 119 9.825 -3.721 4.769 915 HA LYS 119 HA LYS 119 7.729 -1.763 5.317 916 HB2 LYS 119 HB2 LYS 119 7.254 -4.036 3.738 917 HB3 LYS 119 HB3 LYS 119 6.589 -4.418 5.320 918 HG2 LYS 119 HG2 LYS 119 5.795 -1.781 4.687 919 HG3 LYS 119 HG3 LYS 119 5.493 -2.787 3.268 920 HD2 LYS 119 HD2 LYS 119 4.570 -3.407 6.074 921 HD3 LYS 119 HD3 LYS 119 3.564 -2.715 4.800 922 HE2 LYS 119 HE2 LYS 119 3.058 -4.791 4.186 923 HE3 LYS 119 HE3 LYS 119 4.729 -4.974 3.656 924 HZ1 LYS 119 HZ1 LYS 119 5.249 -5.676 5.976 925 HZ2 LYS 119 HZ2 LYS 119 4.245 -6.745 5.132 926 HZ3 LYS 119 HZ3 LYS 119 3.587 -5.706 6.293 927 H VAL 120 H VAL 120 10.161 -3.274 6.556 928 HA VAL 120 HA VAL 120 8.887 -4.434 8.909 929 HB VAL 120 HB VAL 120 10.810 -5.606 7.919 930 HG11 VAL 120 HG11 VAL 120 12.682 -4.574 7.305 931 HG12 VAL 120 HG12 VAL 120 11.898 -3.046 7.709 932 HG13 VAL 120 HG13 VAL 120 12.891 -3.873 8.910 933 HG21 VAL 120 HG21 VAL 120 10.259 -5.336 10.515 934 HG22 VAL 120 HG22 VAL 120 11.611 -6.304 9.926 935 HG23 VAL 120 HG23 VAL 120 11.890 -4.665 10.512 936 H GLY 121 H GLY 121 10.352 -1.497 7.883 937 HA2 GLY 121 HA2 GLY 121 9.575 0.009 10.062 938 HA3 GLY 121 HA3 GLY 121 11.197 -0.553 10.438 939 H GLY 122 H GLY 122 9.910 0.327 7.261 940 HA2 GLY 122 HA2 GLY 122 11.384 2.838 7.289 941 HA3 GLY 122 HA3 GLY 122 11.973 1.616 6.171 942 H LEU 123 H LEU 123 8.600 1.602 6.759 943 HA LEU 123 HA LEU 123 7.704 3.527 4.942 944 HB2 LEU 123 HB2 LEU 123 8.793 1.161 3.728 945 HB3 LEU 123 HB3 LEU 123 7.070 1.284 3.378 946 HG LEU 123 HG LEU 123 9.199 3.318 2.724 947 HD11 LEU 123 HD11 LEU 123 7.741 2.558 0.464 948 HD12 LEU 123 HD12 LEU 123 8.105 1.061 1.323 949 HD13 LEU 123 HD13 LEU 123 9.412 2.148 0.853 950 HD21 LEU 123 HD21 LEU 123 7.300 4.593 3.254 951 HD22 LEU 123 HD22 LEU 123 6.204 3.424 2.516 952 HD23 LEU 123 HD23 LEU 123 7.252 4.414 1.499 953 H GLU 124 H GLU 124 7.131 0.173 5.974 954 HA GLU 124 HA GLU 124 4.791 0.784 7.401 955 HB2 GLU 124 HB2 GLU 124 4.166 0.968 4.828 956 HB3 GLU 124 HB3 GLU 124 4.038 -0.779 4.976 957 HG2 GLU 124 HG2 GLU 124 2.277 -0.650 6.483 958 HG3 GLU 124 HG3 GLU 124 2.632 1.025 6.902 Start of MODEL 14 1 H1 MET 1 H1 MET 1 1.953 -1.188 -0.875 2 HA MET 1 HA MET 1 0.722 0.854 -0.427 3 HB2 MET 1 HB2 MET 1 0.616 -0.296 2.366 4 HB3 MET 1 HB3 MET 1 0.070 1.318 1.929 5 HG2 MET 1 HG2 MET 1 -1.074 -0.922 0.386 6 HG3 MET 1 HG3 MET 1 -1.551 -0.800 2.078 7 HE1 MET 1 HE1 MET 1 -4.635 0.466 0.396 8 HE2 MET 1 HE2 MET 1 -3.611 0.082 -0.988 9 HE3 MET 1 HE3 MET 1 -3.599 -0.962 0.434 10 H SER 2 H SER 2 2.414 2.125 -0.868 11 HA SER 2 HA SER 2 4.901 1.965 0.523 12 HB2 SER 2 HB2 SER 2 4.356 4.431 -0.998 13 HB3 SER 2 HB3 SER 2 5.697 3.293 -1.134 14 HG SER 2 HG SER 2 4.119 3.430 -2.945 15 H GLN 3 H GLN 3 5.862 4.240 1.228 16 HA GLN 3 HA GLN 3 3.959 5.367 3.174 17 HB2 GLN 3 HB2 GLN 3 5.672 4.183 4.349 18 HB3 GLN 3 HB3 GLN 3 6.936 4.921 3.374 19 HG2 GLN 3 HG2 GLN 3 6.882 5.902 5.581 20 HG3 GLN 3 HG3 GLN 3 6.430 7.096 4.365 21 HE21 GLN 3 HE21 GLN 3 4.816 8.338 4.948 22 HE22 GLN 3 HE22 GLN 3 3.502 7.896 5.978 23 H ASN 4 H ASN 4 3.315 7.329 2.600 24 HA ASN 4 HA ASN 4 4.819 8.967 0.789 25 HB2 ASN 4 HB2 ASN 4 2.968 10.642 1.285 26 HB3 ASN 4 HB3 ASN 4 2.457 9.107 0.588 27 HD21 ASN 4 HD21 ASN 4 0.368 9.701 1.457 28 HD22 ASN 4 HD22 ASN 4 0.010 9.350 3.110 29 H ARG 5 H ARG 5 6.727 8.891 2.341 30 HA ARG 5 HA ARG 5 6.882 11.435 3.670 31 HB2 ARG 5 HB2 ARG 5 5.880 10.057 5.443 32 HB3 ARG 5 HB3 ARG 5 7.203 8.908 5.298 33 HG2 ARG 5 HG2 ARG 5 8.770 10.734 5.939 34 HG3 ARG 5 HG3 ARG 5 7.365 11.757 6.246 35 HD2 ARG 5 HD2 ARG 5 6.851 10.695 8.167 36 HD3 ARG 5 HD3 ARG 5 7.298 9.113 7.531 37 HE ARG 5 HE ARG 5 9.648 10.550 7.888 38 HH11 ARG 5 HH11 ARG 5 7.057 9.282 9.835 39 HH12 ARG 5 HH12 ARG 5 8.047 9.057 11.239 40 HH21 ARG 5 HH21 ARG 5 10.962 10.259 9.729 41 HH22 ARG 5 HH22 ARG 5 10.268 9.614 11.178 42 H GLN 6 H GLN 6 8.672 8.406 4.184 43 HA GLN 6 HA GLN 6 10.953 9.571 2.745 44 HB2 GLN 6 HB2 GLN 6 12.435 9.280 4.470 45 HB3 GLN 6 HB3 GLN 6 10.981 9.656 5.385 46 HG2 GLN 6 HG2 GLN 6 12.123 6.922 4.865 47 HG3 GLN 6 HG3 GLN 6 12.126 7.799 6.394 48 HE21 GLN 6 HE21 GLN 6 10.888 5.210 5.304 49 HE22 GLN 6 HE22 GLN 6 9.257 5.282 5.868 50 H LEU 7 H LEU 7 12.475 8.031 1.929 51 HA LEU 7 HA LEU 7 11.288 5.363 1.550 52 HB2 LEU 7 HB2 LEU 7 12.674 7.241 -0.238 53 HB3 LEU 7 HB3 LEU 7 13.163 5.556 -0.401 54 HG LEU 7 HG LEU 7 11.298 6.478 -1.928 55 HD11 LEU 7 HD11 LEU 7 11.461 3.899 -0.488 56 HD12 LEU 7 HD12 LEU 7 11.561 4.246 -2.213 57 HD13 LEU 7 HD13 LEU 7 9.992 4.213 -1.411 58 HD21 LEU 7 HD21 LEU 7 9.467 5.712 0.293 59 HD22 LEU 7 HD22 LEU 7 9.173 6.739 -1.111 60 HD23 LEU 7 HD23 LEU 7 10.116 7.352 0.248 61 H LEU 8 H LEU 8 12.327 3.663 2.354 62 HA LEU 8 HA LEU 8 14.587 3.852 3.964 63 HB2 LEU 8 HB2 LEU 8 12.759 1.889 3.297 64 HB3 LEU 8 HB3 LEU 8 14.293 1.240 2.722 65 HG LEU 8 HG LEU 8 15.231 1.435 4.963 66 HD11 LEU 8 HD11 LEU 8 12.994 1.845 6.584 67 HD12 LEU 8 HD12 LEU 8 12.941 3.124 5.372 68 HD13 LEU 8 HD13 LEU 8 14.378 2.918 6.373 69 HD21 LEU 8 HD21 LEU 8 13.710 -0.522 4.135 70 HD22 LEU 8 HD22 LEU 8 12.604 0.081 5.370 71 HD23 LEU 8 HD23 LEU 8 14.225 -0.448 5.821 72 H TYR 9 H TYR 9 14.487 2.087 0.867 73 HA TYR 9 HA TYR 9 16.749 3.381 -0.229 74 HB2 TYR 9 HB2 TYR 9 18.222 1.257 -0.132 75 HB3 TYR 9 HB3 TYR 9 18.158 2.295 1.289 76 HD1 TYR 9 HD1 TYR 9 16.907 1.586 3.288 77 HD2 TYR 9 HD2 TYR 9 17.329 -0.971 -0.086 78 HE1 TYR 9 HE1 TYR 9 16.220 -0.333 4.664 79 HE2 TYR 9 HE2 TYR 9 16.642 -2.897 1.280 80 HH TYR 9 HH TYR 9 16.061 -3.609 3.298 81 HA PRO 10 HA PRO 10 14.047 0.916 -3.087 82 HB2 PRO 10 HB2 PRO 10 13.599 2.969 -4.805 83 HB3 PRO 10 HB3 PRO 10 12.611 2.687 -3.367 84 HG2 PRO 10 HG2 PRO 10 14.862 4.619 -3.769 85 HG3 PRO 10 HG3 PRO 10 13.303 4.869 -2.960 86 HD2 PRO 10 HD2 PRO 10 15.595 4.405 -1.595 87 HD3 PRO 10 HD3 PRO 10 14.009 3.859 -1.012 88 H ARG 11 H ARG 11 15.245 -0.355 -4.351 89 HA ARG 11 HA ARG 11 16.547 0.512 -6.656 90 HB2 ARG 11 HB2 ARG 11 18.931 -0.074 -5.909 91 HB3 ARG 11 HB3 ARG 11 18.289 1.493 -5.432 92 HG2 ARG 11 HG2 ARG 11 18.379 1.002 -3.251 93 HG3 ARG 11 HG3 ARG 11 17.797 -0.646 -3.497 94 HD2 ARG 11 HD2 ARG 11 20.237 -0.856 -4.596 95 HD3 ARG 11 HD3 ARG 11 20.557 0.408 -3.409 96 HE ARG 11 HE ARG 11 19.215 -1.546 -2.032 97 HH11 ARG 11 HH11 ARG 11 22.139 -1.378 -3.914 98 HH12 ARG 11 HH12 ARG 11 22.941 -2.626 -3.020 99 HH21 ARG 11 HH21 ARG 11 20.260 -3.191 -0.847 100 HH22 ARG 11 HH22 ARG 11 21.871 -3.658 -1.277 101 H GLU 12 H GLU 12 16.338 -1.881 -4.101 102 HA GLU 12 HA GLU 12 17.467 -4.086 -5.326 103 HB2 GLU 12 HB2 GLU 12 16.196 -3.681 -2.979 104 HB3 GLU 12 HB3 GLU 12 14.952 -4.574 -3.843 105 HG2 GLU 12 HG2 GLU 12 16.320 -6.074 -2.537 106 HG3 GLU 12 HG3 GLU 12 16.539 -6.384 -4.259 107 H GLU 13 H GLU 13 14.428 -2.519 -5.967 108 HA GLU 13 HA GLU 13 13.400 -4.693 -7.571 109 HB2 GLU 13 HB2 GLU 13 11.534 -3.166 -8.050 110 HB3 GLU 13 HB3 GLU 13 11.843 -3.295 -6.324 111 HG2 GLU 13 HG2 GLU 13 11.710 -1.066 -6.369 112 HG3 GLU 13 HG3 GLU 13 13.373 -1.157 -6.947 113 H MET 14 H MET 14 14.956 -1.578 -8.084 114 HA MET 14 HA MET 14 14.559 -1.195 -10.779 115 HB2 MET 14 HB2 MET 14 15.689 0.480 -9.505 116 HB3 MET 14 HB3 MET 14 16.985 -0.629 -9.077 117 HG2 MET 14 HG2 MET 14 16.566 -0.152 -11.957 118 HG3 MET 14 HG3 MET 14 17.182 1.203 -11.013 119 HE1 MET 14 HE1 MET 14 18.130 -2.279 -12.669 120 HE2 MET 14 HE2 MET 14 18.288 -0.703 -13.445 121 HE3 MET 14 HE3 MET 14 19.730 -1.623 -13.017 122 H VAL 15 H VAL 15 17.131 -3.109 -9.236 123 HA VAL 15 HA VAL 15 18.402 -3.939 -11.595 124 HB VAL 15 HB VAL 15 19.311 -5.811 -10.224 125 HG11 VAL 15 HG11 VAL 15 20.135 -3.356 -10.240 126 HG12 VAL 15 HG12 VAL 15 19.481 -3.301 -8.602 127 HG13 VAL 15 HG13 VAL 15 20.749 -4.458 -9.008 128 HG21 VAL 15 HG21 VAL 15 17.289 -6.153 -8.841 129 HG22 VAL 15 HG22 VAL 15 18.757 -5.979 -7.879 130 HG23 VAL 15 HG23 VAL 15 17.627 -4.631 -8.016 131 H SER 16 H SER 16 15.558 -5.112 -9.953 132 HA SER 16 HA SER 16 15.356 -7.665 -11.061 133 HB2 SER 16 HB2 SER 16 13.849 -6.226 -9.319 134 HB3 SER 16 HB3 SER 16 12.817 -6.181 -10.748 135 HG SER 16 HG SER 16 12.266 -8.133 -10.243 136 H LEU 17 H LEU 17 13.972 -4.598 -12.228 137 HA LEU 17 HA LEU 17 12.741 -5.582 -14.522 138 HB2 LEU 17 HB2 LEU 17 14.031 -2.885 -14.137 139 HB3 LEU 17 HB3 LEU 17 12.839 -3.295 -15.369 140 HG LEU 17 HG LEU 17 11.447 -2.298 -13.891 141 HD11 LEU 17 HD11 LEU 17 11.642 -4.925 -12.439 142 HD12 LEU 17 HD12 LEU 17 10.872 -4.747 -14.015 143 HD13 LEU 17 HD13 LEU 17 10.232 -3.880 -12.619 144 HD21 LEU 17 HD21 LEU 17 13.679 -2.677 -12.088 145 HD22 LEU 17 HD22 LEU 17 12.133 -2.928 -11.278 146 HD23 LEU 17 HD23 LEU 17 12.452 -1.409 -12.116 147 H VAL 18 H VAL 18 15.840 -3.811 -14.447 148 HA VAL 18 HA VAL 18 16.650 -4.309 -17.029 149 HB VAL 18 HB VAL 18 17.810 -2.799 -15.416 150 HG11 VAL 18 HG11 VAL 18 19.540 -3.755 -13.958 151 HG12 VAL 18 HG12 VAL 18 17.923 -4.297 -13.506 152 HG13 VAL 18 HG13 VAL 18 18.999 -5.376 -14.395 153 HG21 VAL 18 HG21 VAL 18 20.015 -4.480 -16.375 154 HG22 VAL 18 HG22 VAL 18 18.803 -4.087 -17.594 155 HG23 VAL 18 HG23 VAL 18 19.635 -2.795 -16.729 156 H ARG 19 H ARG 19 16.772 -6.432 -14.253 157 HA ARG 19 HA ARG 19 18.525 -8.363 -15.398 158 HB2 ARG 19 HB2 ARG 19 16.730 -8.250 -13.019 159 HB3 ARG 19 HB3 ARG 19 17.279 -9.827 -13.569 160 HG2 ARG 19 HG2 ARG 19 19.548 -9.265 -13.213 161 HG3 ARG 19 HG3 ARG 19 19.160 -7.558 -12.990 162 HD2 ARG 19 HD2 ARG 19 19.639 -8.781 -10.873 163 HD3 ARG 19 HD3 ARG 19 18.054 -8.011 -10.919 164 HE ARG 19 HE ARG 19 17.784 -10.653 -11.801 165 HH11 ARG 19 HH11 ARG 19 18.532 -8.884 -8.898 166 HH12 ARG 19 HH12 ARG 19 17.904 -10.101 -7.838 167 HH21 ARG 19 HH21 ARG 19 16.954 -12.264 -10.416 168 HH22 ARG 19 HH22 ARG 19 17.007 -12.024 -8.702 169 H SER 20 H SER 20 15.025 -7.966 -15.283 170 HA SER 20 HA SER 20 14.311 -10.481 -16.312 171 HB2 SER 20 HB2 SER 20 12.154 -9.654 -16.448 172 HB3 SER 20 HB3 SER 20 12.860 -8.532 -15.285 173 HG SER 20 HG SER 20 12.302 -8.133 -18.021 174 H LEU 21 H LEU 21 15.476 -7.584 -17.844 175 HA LEU 21 HA LEU 21 15.000 -8.760 -20.495 176 HB2 LEU 21 HB2 LEU 21 15.235 -6.582 -21.413 177 HB3 LEU 21 HB3 LEU 21 14.138 -6.470 -20.039 178 HG LEU 21 HG LEU 21 16.722 -5.906 -19.059 179 HD11 LEU 21 HD11 LEU 21 16.743 -3.724 -20.703 180 HD12 LEU 21 HD12 LEU 21 16.344 -5.030 -21.819 181 HD13 LEU 21 HD13 LEU 21 17.811 -5.120 -20.844 182 HD21 LEU 21 HD21 LEU 21 15.600 -3.537 -19.000 183 HD22 LEU 21 HD22 LEU 21 14.987 -4.848 -17.993 184 HD23 LEU 21 HD23 LEU 21 14.166 -4.436 -19.499 185 H ASP 22 H ASP 22 16.704 -8.685 -22.073 186 HA ASP 22 HA ASP 22 19.344 -7.929 -21.547 187 HB2 ASP 22 HB2 ASP 22 18.854 -10.012 -19.961 188 HB3 ASP 22 HB3 ASP 22 19.234 -10.905 -21.431 189 H ARG 23 H ARG 23 18.342 -7.316 -23.727 190 HA ARG 23 HA ARG 23 19.231 -9.296 -25.709 191 HB2 ARG 23 HB2 ARG 23 16.827 -7.511 -26.089 192 HB3 ARG 23 HB3 ARG 23 17.379 -8.798 -27.151 193 HG2 ARG 23 HG2 ARG 23 16.740 -9.571 -24.375 194 HG3 ARG 23 HG3 ARG 23 15.385 -9.091 -25.399 195 HD2 ARG 23 HD2 ARG 23 15.661 -11.457 -25.599 196 HD3 ARG 23 HD3 ARG 23 16.195 -10.716 -27.107 197 HE ARG 23 HE ARG 23 18.417 -11.012 -25.435 198 HH11 ARG 23 HH11 ARG 23 16.148 -12.973 -27.202 199 HH12 ARG 23 HH12 ARG 23 17.264 -14.276 -27.445 200 HH21 ARG 23 HH21 ARG 23 19.896 -12.720 -25.749 201 HH22 ARG 23 HH22 ARG 23 19.396 -14.131 -26.617 202 HA PRO 24 HA PRO 24 21.219 -5.102 -26.262 203 HB2 PRO 24 HB2 PRO 24 23.771 -6.028 -26.297 204 HB3 PRO 24 HB3 PRO 24 22.931 -5.582 -24.807 205 HG2 PRO 24 HG2 PRO 24 23.360 -8.294 -26.001 206 HG3 PRO 24 HG3 PRO 24 23.501 -7.781 -24.309 207 HD2 PRO 24 HD2 PRO 24 21.322 -9.075 -25.262 208 HD3 PRO 24 HD3 PRO 24 21.224 -7.872 -23.960 209 H GLN 25 H GLN 25 20.220 -5.239 -28.368 210 HA GLN 25 HA GLN 25 21.544 -6.786 -30.425 211 HB2 GLN 25 HB2 GLN 25 19.058 -5.216 -30.193 212 HB3 GLN 25 HB3 GLN 25 19.819 -5.181 -31.778 213 HG2 GLN 25 HG2 GLN 25 18.971 -7.162 -32.247 214 HG3 GLN 25 HG3 GLN 25 19.810 -7.866 -30.866 215 HE21 GLN 25 HE21 GLN 25 18.711 -7.530 -28.737 216 HE22 GLN 25 HE22 GLN 25 16.990 -7.677 -28.705 217 H GLU 26 H GLU 26 20.991 -3.336 -29.745 218 HA GLU 26 HA GLU 26 22.731 -2.485 -31.860 219 HB2 GLU 26 HB2 GLU 26 20.918 -1.244 -29.960 220 HB3 GLU 26 HB3 GLU 26 22.413 -0.333 -30.119 221 HG2 GLU 26 HG2 GLU 26 21.410 0.632 -31.857 222 HG3 GLU 26 HG3 GLU 26 21.811 -0.851 -32.720 223 H ASN 27 H ASN 27 22.936 -2.507 -28.310 224 HA ASN 27 HA ASN 27 24.700 -2.305 -26.882 225 HB2 ASN 27 HB2 ASN 27 25.209 -4.478 -28.062 226 HB3 ASN 27 HB3 ASN 27 26.300 -3.575 -29.108 227 HD21 ASN 27 HD21 ASN 27 25.641 -4.385 -25.744 228 HD22 ASN 27 HD22 ASN 27 27.281 -4.283 -25.210 229 H GLY 28 H GLY 28 24.329 0.084 -27.692 230 HA2 GLY 28 HA2 GLY 28 26.953 1.232 -27.905 231 HA3 GLY 28 HA3 GLY 28 26.004 1.448 -29.368 232 H LEU 29 H LEU 29 23.467 1.776 -28.168 233 HA LEU 29 HA LEU 29 23.483 3.770 -26.159 234 HB2 LEU 29 HB2 LEU 29 24.435 5.196 -27.816 235 HB3 LEU 29 HB3 LEU 29 23.257 4.678 -29.020 236 HG LEU 29 HG LEU 29 22.183 5.994 -26.596 237 HD11 LEU 29 HD11 LEU 29 22.786 8.077 -28.379 238 HD12 LEU 29 HD12 LEU 29 24.288 7.191 -28.121 239 HD13 LEU 29 HD13 LEU 29 23.400 7.839 -26.743 240 HD21 LEU 29 HD21 LEU 29 20.436 6.448 -27.943 241 HD22 LEU 29 HD22 LEU 29 21.118 5.155 -28.929 242 HD23 LEU 29 HD23 LEU 29 21.463 6.839 -29.323 243 H PHE 30 H PHE 30 21.843 2.372 -28.945 244 HA PHE 30 HA PHE 30 19.218 3.124 -28.189 245 HB2 PHE 30 HB2 PHE 30 20.452 1.345 -30.191 246 HB3 PHE 30 HB3 PHE 30 18.833 0.877 -29.680 247 HD1 PHE 30 HD1 PHE 30 20.709 3.917 -30.753 248 HD2 PHE 30 HD2 PHE 30 17.046 1.751 -30.822 249 HE1 PHE 30 HE1 PHE 30 19.750 5.594 -32.275 250 HE2 PHE 30 HE2 PHE 30 16.081 3.424 -32.346 251 HZ PHE 30 HZ PHE 30 17.433 5.350 -33.073 252 H SER 31 H SER 31 21.373 0.866 -26.904 253 HA SER 31 HA SER 31 19.274 -0.223 -25.201 254 HB2 SER 31 HB2 SER 31 20.341 -1.709 -27.359 255 HB3 SER 31 HB3 SER 31 21.035 -2.387 -25.887 256 HG SER 31 HG SER 31 19.141 -3.421 -26.067 257 H GLN 32 H GLN 32 21.743 1.542 -25.088 258 HA GLN 32 HA GLN 32 22.733 0.485 -22.590 259 HB2 GLN 32 HB2 GLN 32 24.172 -0.047 -24.957 260 HB3 GLN 32 HB3 GLN 32 25.057 1.219 -24.117 261 HG2 GLN 32 HG2 GLN 32 25.941 -0.860 -23.409 262 HG3 GLN 32 HG3 GLN 32 24.999 -0.204 -22.071 263 HE21 GLN 32 HE21 GLN 32 24.364 -2.156 -24.971 264 HE22 GLN 32 HE22 GLN 32 23.440 -3.369 -24.158 265 H ASP 33 H ASP 33 24.667 2.058 -21.879 266 HA ASP 33 HA ASP 33 23.536 4.749 -22.117 267 HB2 ASP 33 HB2 ASP 33 25.332 3.426 -20.097 268 HB3 ASP 33 HB3 ASP 33 25.168 5.178 -20.161 269 H VAL 34 H VAL 34 24.411 6.036 -23.589 270 HA VAL 34 HA VAL 34 26.764 5.601 -24.989 271 HB VAL 34 HB VAL 34 25.105 7.140 -25.826 272 HG11 VAL 34 HG11 VAL 34 24.145 8.155 -23.967 273 HG12 VAL 34 HG12 VAL 34 25.705 8.654 -23.311 274 HG13 VAL 34 HG13 VAL 34 25.040 9.471 -24.726 275 HG21 VAL 34 HG21 VAL 34 27.226 9.116 -25.420 276 HG22 VAL 34 HG22 VAL 34 27.802 7.535 -25.949 277 HG23 VAL 34 HG23 VAL 34 26.607 8.406 -26.910 278 H LEU 35 H LEU 35 26.290 6.980 -21.854 279 HA LEU 35 HA LEU 35 28.663 8.476 -21.628 280 HB2 LEU 35 HB2 LEU 35 26.493 8.049 -20.051 281 HB3 LEU 35 HB3 LEU 35 27.723 7.120 -19.197 282 HG LEU 35 HG LEU 35 27.797 10.069 -19.824 283 HD11 LEU 35 HD11 LEU 35 26.595 8.669 -17.734 284 HD12 LEU 35 HD12 LEU 35 26.935 10.397 -17.805 285 HD13 LEU 35 HD13 LEU 35 28.100 9.299 -17.066 286 HD21 LEU 35 HD21 LEU 35 29.868 9.969 -18.361 287 HD22 LEU 35 HD22 LEU 35 30.029 9.340 -20.001 288 HD23 LEU 35 HD23 LEU 35 29.859 8.227 -18.644 289 H LEU 36 H LEU 36 28.097 5.100 -21.674 290 HA LEU 36 HA LEU 36 30.691 4.514 -20.447 291 HB2 LEU 36 HB2 LEU 36 28.324 2.820 -21.184 292 HB3 LEU 36 HB3 LEU 36 29.885 2.108 -20.780 293 HG LEU 36 HG LEU 36 29.695 3.379 -18.569 294 HD11 LEU 36 HD11 LEU 36 26.880 3.340 -18.413 295 HD12 LEU 36 HD12 LEU 36 27.307 4.268 -19.851 296 HD13 LEU 36 HD13 LEU 36 27.962 4.727 -18.279 297 HD21 LEU 36 HD21 LEU 36 29.422 0.945 -18.820 298 HD22 LEU 36 HD22 LEU 36 27.705 1.185 -19.143 299 HD23 LEU 36 HD23 LEU 36 28.375 1.612 -17.568 300 H GLN 37 H GLN 37 30.368 5.755 -23.111 301 HA GLN 37 HA GLN 37 31.454 3.636 -24.831 302 HB2 GLN 37 HB2 GLN 37 30.435 6.378 -25.593 303 HB3 GLN 37 HB3 GLN 37 30.962 5.125 -26.708 304 HG2 GLN 37 HG2 GLN 37 28.621 4.899 -24.831 305 HG3 GLN 37 HG3 GLN 37 28.519 5.297 -26.545 306 HE21 GLN 37 HE21 GLN 37 27.395 3.045 -25.052 307 HE22 GLN 37 HE22 GLN 37 27.997 1.620 -25.821 308 H TYR 38 H TYR 38 31.957 7.157 -24.701 309 HA TYR 38 HA TYR 38 34.796 6.770 -24.203 310 HB2 TYR 38 HB2 TYR 38 33.672 7.517 -26.820 311 HB3 TYR 38 HB3 TYR 38 34.961 8.571 -26.250 312 HD1 TYR 38 HD1 TYR 38 34.114 5.079 -27.116 313 HD2 TYR 38 HD2 TYR 38 37.225 7.847 -26.242 314 HE1 TYR 38 HE1 TYR 38 35.781 3.435 -27.871 315 HE2 TYR 38 HE2 TYR 38 38.900 6.211 -26.996 316 HH TYR 38 HH TYR 38 38.210 3.580 -28.819 317 HA PRO 39 HA PRO 39 34.301 10.499 -21.931 318 HB2 PRO 39 HB2 PRO 39 36.861 11.403 -21.939 319 HB3 PRO 39 HB3 PRO 39 36.333 10.020 -20.972 320 HG2 PRO 39 HG2 PRO 39 37.738 10.057 -23.615 321 HG3 PRO 39 HG3 PRO 39 38.037 9.027 -22.203 322 HD2 PRO 39 HD2 PRO 39 36.642 8.172 -24.361 323 HD3 PRO 39 HD3 PRO 39 36.297 7.605 -22.715 324 H GLU 40 H GLU 40 33.019 11.389 -23.789 325 HA GLU 40 HA GLU 40 34.007 13.939 -24.515 326 HB2 GLU 40 HB2 GLU 40 33.905 13.558 -27.015 327 HB3 GLU 40 HB3 GLU 40 35.301 12.876 -26.193 328 HG2 GLU 40 HG2 GLU 40 33.477 10.822 -26.125 329 HG3 GLU 40 HG3 GLU 40 33.194 11.562 -27.699 330 H LEU 41 H LEU 41 31.704 11.353 -25.149 331 HA LEU 41 HA LEU 41 29.640 13.334 -25.793 332 HB2 LEU 41 HB2 LEU 41 28.298 11.289 -26.406 333 HB3 LEU 41 HB3 LEU 41 29.702 11.634 -27.414 334 HG LEU 41 HG LEU 41 29.201 9.192 -26.714 335 HD11 LEU 41 HD11 LEU 41 31.517 10.586 -27.401 336 HD12 LEU 41 HD12 LEU 41 31.245 8.846 -27.503 337 HD13 LEU 41 HD13 LEU 41 31.982 9.540 -26.059 338 HD21 LEU 41 HD21 LEU 41 30.190 8.504 -24.617 339 HD22 LEU 41 HD22 LEU 41 28.925 9.696 -24.318 340 HD23 LEU 41 HD23 LEU 41 30.622 10.173 -24.241 341 H ALA 42 H ALA 42 30.806 12.466 -23.073 342 HA ALA 42 HA ALA 42 28.605 11.256 -21.692 343 HB1 ALA 42 HB1 ALA 42 31.043 12.668 -20.616 344 HB2 ALA 42 HB2 ALA 42 29.905 11.713 -19.664 345 HB3 ALA 42 HB3 ALA 42 30.884 10.936 -20.909 346 H GLU 43 H GLU 43 29.550 14.487 -22.499 347 HA GLU 43 HA GLU 43 28.037 15.826 -20.490 348 HB2 GLU 43 HB2 GLU 43 29.976 16.705 -22.004 349 HB3 GLU 43 HB3 GLU 43 28.685 17.063 -23.142 350 HG2 GLU 43 HG2 GLU 43 27.573 18.337 -21.252 351 HG3 GLU 43 HG3 GLU 43 29.106 18.189 -20.395 352 H SER 44 H SER 44 27.458 15.216 -23.950 353 HA SER 44 HA SER 44 24.897 16.371 -24.043 354 HB2 SER 44 HB2 SER 44 25.063 15.877 -26.227 355 HB3 SER 44 HB3 SER 44 26.632 15.157 -25.866 356 HG SER 44 HG SER 44 25.540 13.170 -25.515 357 H TYR 45 H TYR 45 25.999 13.158 -23.174 358 HA TYR 45 HA TYR 45 23.675 11.693 -23.300 359 HB2 TYR 45 HB2 TYR 45 25.682 10.568 -22.716 360 HB3 TYR 45 HB3 TYR 45 25.945 11.603 -21.317 361 HD1 TYR 45 HD1 TYR 45 23.264 9.328 -22.603 362 HD2 TYR 45 HD2 TYR 45 25.567 10.627 -19.270 363 HE1 TYR 45 HE1 TYR 45 22.119 7.682 -21.178 364 HE2 TYR 45 HE2 TYR 45 24.429 8.985 -17.836 365 HH TYR 45 HH TYR 45 23.197 6.649 -18.333 366 H THR 46 H THR 46 24.637 14.075 -20.913 367 HA THR 46 HA THR 46 22.535 13.500 -19.066 368 HB THR 46 HB THR 46 23.200 15.476 -17.889 369 HG1 THR 46 HG1 THR 46 25.033 16.274 -19.850 370 HG21 THR 46 HG21 THR 46 24.835 13.417 -18.219 371 HG22 THR 46 HG22 THR 46 25.321 14.842 -17.302 372 HG23 THR 46 HG23 THR 46 25.845 14.649 -18.975 373 H LYS 47 H LYS 47 23.046 16.058 -21.486 374 HA LYS 47 HA LYS 47 20.705 17.490 -21.088 375 HB2 LYS 47 HB2 LYS 47 21.282 18.636 -22.962 376 HB3 LYS 47 HB3 LYS 47 22.796 17.765 -22.751 377 HG2 LYS 47 HG2 LYS 47 21.690 15.975 -24.260 378 HG3 LYS 47 HG3 LYS 47 20.596 17.284 -24.713 379 HD2 LYS 47 HD2 LYS 47 23.009 18.514 -24.927 380 HD3 LYS 47 HD3 LYS 47 23.426 16.861 -25.386 381 HE2 LYS 47 HE2 LYS 47 21.664 16.876 -27.072 382 HE3 LYS 47 HE3 LYS 47 21.208 18.511 -26.596 383 HZ1 LYS 47 HZ1 LYS 47 23.308 19.332 -27.341 384 HZ2 LYS 47 HZ2 LYS 47 22.636 18.413 -28.593 385 HZ3 LYS 47 HZ3 LYS 47 23.883 17.770 -27.648 386 H VAL 48 H VAL 48 21.228 14.470 -22.763 387 HA VAL 48 HA VAL 48 18.468 14.447 -23.737 388 HB VAL 48 HB VAL 48 20.505 12.284 -24.204 389 HG11 VAL 48 HG11 VAL 48 17.848 13.019 -25.280 390 HG12 VAL 48 HG12 VAL 48 19.028 12.379 -26.426 391 HG13 VAL 48 HG13 VAL 48 18.565 11.430 -25.013 392 HG21 VAL 48 HG21 VAL 48 20.629 13.661 -26.496 393 HG22 VAL 48 HG22 VAL 48 20.360 14.996 -25.375 394 HG23 VAL 48 HG23 VAL 48 21.746 13.926 -25.157 395 H CYS 49 H CYS 49 19.225 14.169 -20.877 396 HA CYS 49 HA CYS 49 18.561 12.982 -19.056 397 HB2 CYS 49 HB2 CYS 49 16.654 12.243 -21.162 398 HB3 CYS 49 HB3 CYS 49 16.795 11.046 -19.880 399 HG CYS 49 HG CYS 49 16.163 14.346 -19.250 400 HA PRO 50 HA PRO 50 20.987 9.343 -18.741 401 HB2 PRO 50 HB2 PRO 50 19.671 7.893 -16.861 402 HB3 PRO 50 HB3 PRO 50 20.575 9.363 -16.481 403 HG2 PRO 50 HG2 PRO 50 17.630 8.999 -16.882 404 HG3 PRO 50 HG3 PRO 50 18.483 9.946 -15.648 405 HD2 PRO 50 HD2 PRO 50 17.382 11.076 -17.849 406 HD3 PRO 50 HD3 PRO 50 18.847 11.716 -17.079 407 H ASN 51 H ASN 51 19.798 9.034 -21.051 408 HA ASN 51 HA ASN 51 19.131 7.491 -22.584 409 HB2 ASN 51 HB2 ASN 51 20.507 6.036 -20.687 410 HB3 ASN 51 HB3 ASN 51 18.969 5.185 -20.787 411 HD21 ASN 51 HD21 ASN 51 21.151 6.787 -23.086 412 HD22 ASN 51 HD22 ASN 51 21.214 5.470 -24.202 413 H ARG 52 H ARG 52 17.213 6.699 -23.377 414 HA ARG 52 HA ARG 52 14.963 6.589 -21.477 415 HB2 ARG 52 HB2 ARG 52 14.776 7.540 -24.336 416 HB3 ARG 52 HB3 ARG 52 13.533 7.625 -23.095 417 HG2 ARG 52 HG2 ARG 52 14.232 9.645 -22.538 418 HG3 ARG 52 HG3 ARG 52 15.813 8.985 -22.116 419 HD2 ARG 52 HD2 ARG 52 16.761 9.679 -24.044 420 HD3 ARG 52 HD3 ARG 52 15.313 9.350 -24.994 421 HE ARG 52 HE ARG 52 15.080 11.620 -23.239 422 HH11 ARG 52 HH11 ARG 52 16.058 10.505 -26.388 423 HH12 ARG 52 HH12 ARG 52 15.878 12.057 -27.137 424 HH21 ARG 52 HH21 ARG 52 14.840 13.669 -24.213 425 HH22 ARG 52 HH22 ARG 52 15.187 13.856 -25.899 426 H CYS 53 H CYS 53 16.653 4.424 -22.502 427 HA CYS 53 HA CYS 53 14.990 2.995 -24.396 428 HB2 CYS 53 HB2 CYS 53 17.368 2.741 -24.652 429 HB3 CYS 53 HB3 CYS 53 17.551 2.263 -22.969 430 HG CYS 53 HG CYS 53 15.918 0.416 -25.344 431 H ASP 54 H ASP 54 16.430 1.822 -21.367 432 HA ASP 54 HA ASP 54 14.077 1.363 -19.953 433 HB2 ASP 54 HB2 ASP 54 14.599 -0.591 -22.052 434 HB3 ASP 54 HB3 ASP 54 14.487 -1.336 -20.460 435 H LEU 55 H LEU 55 16.663 -0.987 -20.596 436 HA LEU 55 HA LEU 55 17.238 -1.424 -17.883 437 HB2 LEU 55 HB2 LEU 55 19.460 -2.318 -18.896 438 HB3 LEU 55 HB3 LEU 55 17.940 -3.146 -19.223 439 HG LEU 55 HG LEU 55 17.837 -2.159 -21.431 440 HD11 LEU 55 HD11 LEU 55 20.142 -0.568 -20.420 441 HD12 LEU 55 HD12 LEU 55 18.745 -0.056 -21.366 442 HD13 LEU 55 HD13 LEU 55 20.052 -0.952 -22.139 443 HD21 LEU 55 HD21 LEU 55 19.134 -3.778 -22.233 444 HD22 LEU 55 HD22 LEU 55 19.679 -4.058 -20.579 445 HD23 LEU 55 HD23 LEU 55 20.598 -2.991 -21.642 446 H ALA 56 H ALA 56 18.105 1.129 -19.961 447 HA ALA 56 HA ALA 56 20.459 1.884 -18.420 448 HB1 ALA 56 HB1 ALA 56 19.154 3.107 -20.844 449 HB2 ALA 56 HB2 ALA 56 20.572 3.782 -20.041 450 HB3 ALA 56 HB3 ALA 56 20.655 2.183 -20.780 451 H THR 57 H THR 57 17.137 2.913 -18.946 452 HA THR 57 HA THR 57 17.304 5.367 -17.546 453 HB THR 57 HB THR 57 14.875 3.618 -17.981 454 HG1 THR 57 HG1 THR 57 16.263 5.440 -19.591 455 HG21 THR 57 HG21 THR 57 15.031 6.580 -17.421 456 HG22 THR 57 HG22 THR 57 14.633 5.358 -16.214 457 HG23 THR 57 HG23 THR 57 13.571 5.607 -17.600 458 H ALA 58 H ALA 58 16.636 2.064 -16.546 459 HA ALA 58 HA ALA 58 15.921 2.827 -13.855 460 HB1 ALA 58 HB1 ALA 58 14.929 0.846 -13.928 461 HB2 ALA 58 HB2 ALA 58 15.710 0.478 -15.467 462 HB3 ALA 58 HB3 ALA 58 16.514 0.074 -13.950 463 H ALA 59 H ALA 59 18.661 1.166 -15.404 464 HA ALA 59 HA ALA 59 20.202 0.713 -13.134 465 HB1 ALA 59 HB1 ALA 59 20.937 1.152 -16.011 466 HB2 ALA 59 HB2 ALA 59 22.157 0.834 -14.777 467 HB3 ALA 59 HB3 ALA 59 20.896 -0.356 -15.097 468 H ASP 60 H ASP 60 19.779 3.623 -15.039 469 HA ASP 60 HA ASP 60 21.951 5.048 -13.830 470 HB2 ASP 60 HB2 ASP 60 19.765 5.679 -15.742 471 HB3 ASP 60 HB3 ASP 60 20.455 7.029 -14.845 472 H ARG 61 H ARG 61 18.422 5.062 -13.434 473 HA ARG 61 HA ARG 61 18.184 7.086 -11.563 474 HB2 ARG 61 HB2 ARG 61 16.545 4.960 -12.565 475 HB3 ARG 61 HB3 ARG 61 16.360 5.049 -10.818 476 HG2 ARG 61 HG2 ARG 61 14.686 6.423 -11.767 477 HG3 ARG 61 HG3 ARG 61 15.908 7.500 -11.086 478 HD2 ARG 61 HD2 ARG 61 16.325 6.740 -13.897 479 HD3 ARG 61 HD3 ARG 61 14.892 7.720 -13.588 480 HE ARG 61 HE ARG 61 17.617 8.577 -13.487 481 HH11 ARG 61 HH11 ARG 61 14.436 9.123 -12.181 482 HH12 ARG 61 HH12 ARG 61 14.745 10.779 -11.774 483 HH21 ARG 61 HH21 ARG 61 18.036 10.755 -12.955 484 HH22 ARG 61 HH22 ARG 61 16.793 11.706 -12.216 485 H ALA 62 H ALA 62 19.057 3.703 -11.093 486 HA ALA 62 HA ALA 62 19.116 3.931 -8.220 487 HB1 ALA 62 HB1 ALA 62 18.601 1.826 -9.589 488 HB2 ALA 62 HB2 ALA 62 20.349 1.694 -9.792 489 HB3 ALA 62 HB3 ALA 62 19.643 1.657 -8.176 490 H ALA 63 H ALA 63 21.538 3.596 -10.803 491 HA ALA 63 HA ALA 63 23.822 3.604 -9.206 492 HB1 ALA 63 HB1 ALA 63 23.940 3.012 -11.534 493 HB2 ALA 63 HB2 ALA 63 23.444 4.636 -12.013 494 HB3 ALA 63 HB3 ALA 63 25.008 4.384 -11.237 495 H LYS 64 H LYS 64 21.712 6.195 -10.137 496 HA LYS 64 HA LYS 64 23.443 8.376 -9.740 497 HB2 LYS 64 HB2 LYS 64 20.455 8.062 -9.619 498 HB3 LYS 64 HB3 LYS 64 21.221 9.601 -9.245 499 HG2 LYS 64 HG2 LYS 64 22.254 8.552 -11.710 500 HG3 LYS 64 HG3 LYS 64 20.491 8.619 -11.758 501 HD2 LYS 64 HD2 LYS 64 21.142 10.723 -12.526 502 HD3 LYS 64 HD3 LYS 64 20.767 11.002 -10.824 503 HE2 LYS 64 HE2 LYS 64 22.971 11.281 -10.245 504 HE3 LYS 64 HE3 LYS 64 23.558 10.287 -11.577 505 HZ1 LYS 64 HZ1 LYS 64 24.095 12.570 -11.993 506 HZ2 LYS 64 HZ2 LYS 64 22.489 13.050 -11.768 507 HZ3 LYS 64 HZ3 LYS 64 22.907 12.094 -13.099 508 H GLY 65 H GLY 65 22.072 6.179 -7.530 509 HA2 GLY 65 HA2 GLY 65 23.153 6.297 -5.289 510 HA3 GLY 65 HA3 GLY 65 22.721 8.001 -5.295 511 H ALA 66 H ALA 66 20.393 5.947 -6.697 512 HA ALA 66 HA ALA 66 18.243 5.472 -6.102 513 HB1 ALA 66 HB1 ALA 66 17.968 4.228 -4.045 514 HB2 ALA 66 HB2 ALA 66 19.466 3.744 -4.842 515 HB3 ALA 66 HB3 ALA 66 19.518 4.822 -3.447 516 H TYR 67 H TYR 67 18.082 7.952 -6.243 517 HA TYR 67 HA TYR 67 17.972 9.640 -4.071 518 HB2 TYR 67 HB2 TYR 67 17.434 9.922 -6.706 519 HB3 TYR 67 HB3 TYR 67 15.801 9.987 -6.054 520 HD1 TYR 67 HD1 TYR 67 19.067 11.654 -6.158 521 HD2 TYR 67 HD2 TYR 67 15.082 11.843 -4.679 522 HE1 TYR 67 HE1 TYR 67 19.405 14.018 -5.568 523 HE2 TYR 67 HE2 TYR 67 15.408 14.208 -4.086 524 HH TYR 67 HH TYR 67 18.464 15.683 -4.029 525 H GLY 68 H GLY 68 17.049 9.069 -2.189 526 HA2 GLY 68 HA2 GLY 68 14.647 7.537 -2.011 527 HA3 GLY 68 HA3 GLY 68 15.469 8.337 -0.680 528 H TYR 69 H TYR 69 13.423 8.951 0.166 529 HA TYR 69 HA TYR 69 11.668 10.357 0.510 530 HB2 TYR 69 HB2 TYR 69 13.716 11.950 0.141 531 HB3 TYR 69 HB3 TYR 69 12.895 12.347 -1.365 532 HD1 TYR 69 HD1 TYR 69 11.901 11.868 2.214 533 HD2 TYR 69 HD2 TYR 69 11.658 14.282 -1.281 534 HE1 TYR 69 HE1 TYR 69 10.469 13.463 3.422 535 HE2 TYR 69 HE2 TYR 69 10.226 15.883 -0.083 536 HH TYR 69 HH TYR 69 9.931 16.494 2.524 537 H ASP 70 H ASP 70 10.130 9.090 -0.562 538 HA ASP 70 HA ASP 70 9.165 10.273 -3.060 539 HB2 ASP 70 HB2 ASP 70 10.519 7.888 -3.098 540 HB3 ASP 70 HB3 ASP 70 8.846 7.355 -2.956 541 H VAL 71 H VAL 71 7.128 10.865 -2.780 542 HA VAL 71 HA VAL 71 5.579 10.247 -0.540 543 HB VAL 71 HB VAL 71 5.221 12.215 -2.030 544 HG11 VAL 71 HG11 VAL 71 5.216 10.484 -4.078 545 HG12 VAL 71 HG12 VAL 71 3.477 10.643 -3.823 546 HG13 VAL 71 HG13 VAL 71 4.456 12.073 -4.154 547 HG21 VAL 71 HG21 VAL 71 3.542 11.680 -0.401 548 HG22 VAL 71 HG22 VAL 71 2.734 12.148 -1.897 549 HG23 VAL 71 HG23 VAL 71 2.848 10.446 -1.451 550 H GLN 72 H GLN 72 6.022 8.544 -3.518 551 HA GLN 72 HA GLN 72 4.818 6.192 -2.596 552 HB2 GLN 72 HB2 GLN 72 2.854 7.929 -3.222 553 HB3 GLN 72 HB3 GLN 72 3.108 7.191 -4.798 554 HG2 GLN 72 HG2 GLN 72 1.888 5.457 -4.189 555 HG3 GLN 72 HG3 GLN 72 3.020 5.112 -2.882 556 HE21 GLN 72 HE21 GLN 72 2.712 6.653 -0.950 557 HE22 GLN 72 HE22 GLN 72 1.079 6.869 -0.430 558 H LEU 73 H LEU 73 7.211 6.732 -3.788 559 HA LEU 73 HA LEU 73 8.613 6.144 -5.485 560 HB2 LEU 73 HB2 LEU 73 6.482 4.076 -6.000 561 HB3 LEU 73 HB3 LEU 73 8.156 4.004 -6.545 562 HG LEU 73 HG LEU 73 8.134 2.559 -4.738 563 HD11 LEU 73 HD11 LEU 73 9.695 3.446 -3.358 564 HD12 LEU 73 HD12 LEU 73 8.774 4.923 -3.079 565 HD13 LEU 73 HD13 LEU 73 9.685 4.722 -4.575 566 HD21 LEU 73 HD21 LEU 73 6.650 4.481 -2.981 567 HD22 LEU 73 HD22 LEU 73 6.851 2.738 -2.804 568 HD23 LEU 73 HD23 LEU 73 5.792 3.380 -4.060 569 H THR 74 H THR 74 6.846 8.239 -6.126 570 HA THR 74 HA THR 74 5.671 7.825 -8.699 571 HB THR 74 HB THR 74 6.383 10.442 -7.360 572 HG1 THR 74 HG1 THR 74 4.399 10.339 -6.425 573 HG21 THR 74 HG21 THR 74 4.258 11.039 -8.833 574 HG22 THR 74 HG22 THR 74 4.867 9.704 -9.811 575 HG23 THR 74 HG23 THR 74 5.891 11.105 -9.495 576 H THR 75 H THR 75 8.835 8.516 -7.584 577 HA THR 75 HA THR 75 9.846 9.938 -9.803 578 HB THR 75 HB THR 75 12.056 9.359 -9.001 579 HG1 THR 75 HG1 THR 75 10.682 7.467 -7.369 580 HG21 THR 75 HG21 THR 75 11.797 10.000 -6.571 581 HG22 THR 75 HG22 THR 75 10.053 9.930 -6.822 582 HG23 THR 75 HG23 THR 75 11.029 11.086 -7.728 583 H LEU 76 H LEU 76 9.943 6.471 -8.997 584 HA LEU 76 HA LEU 76 11.163 5.758 -11.489 585 HB2 LEU 76 HB2 LEU 76 10.510 4.477 -9.014 586 HB3 LEU 76 HB3 LEU 76 9.914 3.500 -10.354 587 HG LEU 76 HG LEU 76 12.655 4.397 -10.753 588 HD11 LEU 76 HD11 LEU 76 11.918 2.940 -8.248 589 HD12 LEU 76 HD12 LEU 76 13.076 4.248 -8.483 590 HD13 LEU 76 HD13 LEU 76 13.456 2.622 -9.050 591 HD21 LEU 76 HD21 LEU 76 11.330 2.609 -11.978 592 HD22 LEU 76 HD22 LEU 76 11.578 1.598 -10.555 593 HD23 LEU 76 HD23 LEU 76 12.966 2.178 -11.476 594 H LYS 77 H LYS 77 7.898 5.927 -10.242 595 HA LYS 77 HA LYS 77 6.668 4.461 -12.349 596 HB2 LYS 77 HB2 LYS 77 5.848 5.486 -9.917 597 HB3 LYS 77 HB3 LYS 77 4.988 6.488 -11.079 598 HG2 LYS 77 HG2 LYS 77 3.596 4.640 -10.491 599 HG3 LYS 77 HG3 LYS 77 4.141 4.418 -12.155 600 HD2 LYS 77 HD2 LYS 77 4.294 2.312 -11.005 601 HD3 LYS 77 HD3 LYS 77 5.927 2.910 -11.310 602 HE2 LYS 77 HE2 LYS 77 4.817 3.787 -8.755 603 HE3 LYS 77 HE3 LYS 77 4.961 2.035 -8.893 604 HZ1 LYS 77 HZ1 LYS 77 7.157 3.981 -9.360 605 HZ2 LYS 77 HZ2 LYS 77 7.288 2.297 -9.456 606 HZ3 LYS 77 HZ3 LYS 77 6.963 3.037 -7.970 607 H GLU 78 H GLU 78 7.317 7.886 -11.785 608 HA GLU 78 HA GLU 78 5.925 8.755 -14.136 609 HB2 GLU 78 HB2 GLU 78 6.139 10.264 -12.253 610 HB3 GLU 78 HB3 GLU 78 7.893 10.170 -12.332 611 HG2 GLU 78 HG2 GLU 78 8.030 11.548 -14.144 612 HG3 GLU 78 HG3 GLU 78 6.427 11.113 -14.735 613 H ASP 79 H ASP 79 9.076 7.566 -13.441 614 HA ASP 79 HA ASP 79 10.354 8.723 -15.745 615 HB2 ASP 79 HB2 ASP 79 11.154 6.742 -13.642 616 HB3 ASP 79 HB3 ASP 79 12.119 6.894 -15.108 617 H ILE 80 H ILE 80 9.194 5.486 -14.847 618 HA ILE 80 HA ILE 80 9.901 4.190 -17.232 619 HB ILE 80 HB ILE 80 9.294 2.918 -15.262 620 HG12 ILE 80 HG12 ILE 80 7.802 1.268 -16.294 621 HG13 ILE 80 HG13 ILE 80 7.301 2.455 -17.493 622 HG21 ILE 80 HG21 ILE 80 7.568 4.511 -14.447 623 HG22 ILE 80 HG22 ILE 80 6.466 3.875 -15.668 624 HG23 ILE 80 HG23 ILE 80 7.062 2.823 -14.384 625 HD11 ILE 80 HD11 ILE 80 9.122 2.133 -18.747 626 HD12 ILE 80 HD12 ILE 80 10.191 2.015 -17.349 627 HD13 ILE 80 HD13 ILE 80 9.247 0.615 -17.858 628 H ARG 81 H ARG 81 6.979 5.943 -16.304 629 HA ARG 81 HA ARG 81 5.527 5.300 -18.672 630 HB2 ARG 81 HB2 ARG 81 3.851 6.730 -17.867 631 HB3 ARG 81 HB3 ARG 81 4.596 6.079 -16.413 632 HG2 ARG 81 HG2 ARG 81 4.589 8.235 -15.781 633 HG3 ARG 81 HG3 ARG 81 6.075 8.297 -16.730 634 HD2 ARG 81 HD2 ARG 81 4.591 10.151 -17.292 635 HD3 ARG 81 HD3 ARG 81 4.814 9.073 -18.669 636 HE ARG 81 HE ARG 81 2.546 8.167 -17.446 637 HH11 ARG 81 HH11 ARG 81 3.600 11.222 -18.743 638 HH12 ARG 81 HH12 ARG 81 2.004 11.734 -19.182 639 HH21 ARG 81 HH21 ARG 81 0.440 8.831 -18.019 640 HH22 ARG 81 HH22 ARG 81 0.207 10.374 -18.769 641 H LEU 82 H LEU 82 7.744 7.837 -17.749 642 HA LEU 82 HA LEU 82 7.152 9.617 -19.880 643 HB2 LEU 82 HB2 LEU 82 8.334 10.224 -17.772 644 HB3 LEU 82 HB3 LEU 82 9.739 9.338 -18.360 645 HG LEU 82 HG LEU 82 9.770 11.871 -18.597 646 HD11 LEU 82 HD11 LEU 82 11.244 11.659 -20.294 647 HD12 LEU 82 HD12 LEU 82 10.127 10.737 -21.299 648 HD13 LEU 82 HD13 LEU 82 10.998 9.940 -19.989 649 HD21 LEU 82 HD21 LEU 82 8.588 12.852 -20.428 650 HD22 LEU 82 HD22 LEU 82 7.415 12.016 -19.411 651 HD23 LEU 82 HD23 LEU 82 7.948 11.285 -20.925 652 H MET 83 H MET 83 9.383 6.925 -19.496 653 HA MET 83 HA MET 83 10.832 7.373 -21.897 654 HB2 MET 83 HB2 MET 83 10.601 5.190 -19.903 655 HB3 MET 83 HB3 MET 83 11.175 4.734 -21.502 656 HG2 MET 83 HG2 MET 83 12.998 5.235 -19.937 657 HG3 MET 83 HG3 MET 83 12.998 6.291 -21.347 658 HE1 MET 83 HE1 MET 83 14.352 8.743 -18.698 659 HE2 MET 83 HE2 MET 83 14.808 7.162 -19.334 660 HE3 MET 83 HE3 MET 83 14.331 8.453 -20.438 661 H VAL 84 H VAL 84 8.257 5.045 -21.079 662 HA VAL 84 HA VAL 84 7.961 3.887 -23.585 663 HB VAL 84 HB VAL 84 6.865 2.965 -21.625 664 HG11 VAL 84 HG11 VAL 84 6.298 5.070 -20.515 665 HG12 VAL 84 HG12 VAL 84 5.062 5.381 -21.736 666 HG13 VAL 84 HG13 VAL 84 4.896 4.009 -20.640 667 HG21 VAL 84 HG21 VAL 84 4.997 2.159 -22.701 668 HG22 VAL 84 HG22 VAL 84 4.578 3.732 -23.379 669 HG23 VAL 84 HG23 VAL 84 5.914 2.805 -24.062 670 H ASN 85 H ASN 85 6.668 6.901 -22.325 671 HA ASN 85 HA ASN 85 4.776 7.427 -24.325 672 HB2 ASN 85 HB2 ASN 85 6.273 9.070 -22.340 673 HB3 ASN 85 HB3 ASN 85 5.466 9.914 -23.659 674 HD21 ASN 85 HD21 ASN 85 5.016 9.571 -20.659 675 HD22 ASN 85 HD22 ASN 85 3.331 9.206 -20.543 676 H ASN 86 H ASN 86 8.153 8.535 -24.053 677 HA ASN 86 HA ASN 86 8.147 9.719 -26.657 678 HB2 ASN 86 HB2 ASN 86 9.647 10.232 -24.560 679 HB3 ASN 86 HB3 ASN 86 10.674 8.970 -25.234 680 HD21 ASN 86 HD21 ASN 86 12.334 10.410 -25.661 681 HD22 ASN 86 HD22 ASN 86 12.250 11.561 -26.946 682 H CYS 87 H CYS 87 8.631 6.555 -25.451 683 HA CYS 87 HA CYS 87 10.401 5.500 -27.349 684 HB2 CYS 87 HB2 CYS 87 9.009 4.516 -25.172 685 HB3 CYS 87 HB3 CYS 87 8.297 3.645 -26.525 686 HG CYS 87 HG CYS 87 10.528 2.350 -25.069 687 H ILE 88 H ILE 88 6.857 5.079 -27.287 688 HA ILE 88 HA ILE 88 6.770 4.227 -30.008 689 HB ILE 88 HB ILE 88 4.366 4.223 -29.780 690 HG12 ILE 88 HG12 ILE 88 3.712 4.952 -27.232 691 HG13 ILE 88 HG13 ILE 88 4.960 6.132 -27.615 692 HG21 ILE 88 HG21 ILE 88 4.923 3.275 -27.084 693 HG22 ILE 88 HG22 ILE 88 4.391 2.386 -28.510 694 HG23 ILE 88 HG23 ILE 88 6.105 2.724 -28.271 695 HD11 ILE 88 HD11 ILE 88 3.355 6.119 -29.860 696 HD12 ILE 88 HD12 ILE 88 2.220 5.971 -28.519 697 HD13 ILE 88 HD13 ILE 88 3.353 7.321 -28.570 698 H LEU 89 H LEU 89 6.412 7.286 -28.370 699 HA LEU 89 HA LEU 89 5.173 8.693 -30.503 700 HB2 LEU 89 HB2 LEU 89 5.114 9.472 -28.186 701 HB3 LEU 89 HB3 LEU 89 6.858 9.720 -28.223 702 HG LEU 89 HG LEU 89 5.608 11.195 -30.350 703 HD11 LEU 89 HD11 LEU 89 3.621 11.188 -28.959 704 HD12 LEU 89 HD12 LEU 89 4.355 12.791 -28.973 705 HD13 LEU 89 HD13 LEU 89 4.564 11.738 -27.574 706 HD21 LEU 89 HD21 LEU 89 7.837 11.433 -28.960 707 HD22 LEU 89 HD22 LEU 89 6.823 12.466 -27.952 708 HD23 LEU 89 HD23 LEU 89 7.037 12.840 -29.662 709 H PHE 90 H PHE 90 8.475 9.157 -29.243 710 HA PHE 90 HA PHE 90 9.459 10.507 -31.466 711 HB2 PHE 90 HB2 PHE 90 10.484 10.081 -29.081 712 HB3 PHE 90 HB3 PHE 90 11.267 8.723 -29.882 713 HD1 PHE 90 HD1 PHE 90 12.161 9.554 -32.376 714 HD2 PHE 90 HD2 PHE 90 11.857 11.887 -28.829 715 HE1 PHE 90 HE1 PHE 90 13.911 11.062 -33.222 716 HE2 PHE 90 HE2 PHE 90 13.606 13.399 -29.670 717 HZ PHE 90 HZ PHE 90 14.637 12.987 -31.868 718 H ASN 91 H ASN 91 10.116 7.103 -30.612 719 HA ASN 91 HA ASN 91 9.571 6.027 -33.123 720 HB2 ASN 91 HB2 ASN 91 12.011 7.475 -33.092 721 HB3 ASN 91 HB3 ASN 91 12.424 5.764 -33.156 722 HD21 ASN 91 HD21 ASN 91 10.409 4.717 -34.632 723 HD22 ASN 91 HD22 ASN 91 10.436 5.374 -36.229 724 H GLY 92 H GLY 92 8.908 4.142 -32.299 725 HA2 GLY 92 HA2 GLY 92 10.863 2.350 -31.157 726 HA3 GLY 92 HA3 GLY 92 9.616 2.851 -30.024 727 H ALA 93 H ALA 93 7.331 2.542 -30.809 728 HA ALA 93 HA ALA 93 7.132 -0.126 -31.988 729 HB1 ALA 93 HB1 ALA 93 5.312 1.535 -30.288 730 HB2 ALA 93 HB2 ALA 93 4.688 0.160 -31.200 731 HB3 ALA 93 HB3 ALA 93 5.950 -0.083 -29.993 732 H GLU 94 H GLU 94 5.168 2.851 -32.177 733 HA GLU 94 HA GLU 94 4.006 3.795 -33.891 734 HB2 GLU 94 HB2 GLU 94 6.571 3.550 -34.746 735 HB3 GLU 94 HB3 GLU 94 5.729 2.647 -35.997 736 HG2 GLU 94 HG2 GLU 94 5.836 4.811 -36.831 737 HG3 GLU 94 HG3 GLU 94 4.200 4.682 -36.189 738 H GLY 95 H GLY 95 3.540 0.917 -33.110 739 HA2 GLY 95 HA2 GLY 95 1.367 0.328 -34.679 740 HA3 GLY 95 HA3 GLY 95 2.720 -0.447 -35.491 741 H ALA 96 H ALA 96 4.063 -0.889 -32.852 742 HA ALA 96 HA ALA 96 2.383 -3.134 -31.940 743 HB1 ALA 96 HB1 ALA 96 4.371 -4.420 -31.537 744 HB2 ALA 96 HB2 ALA 96 4.409 -3.824 -33.197 745 HB3 ALA 96 HB3 ALA 96 5.396 -3.048 -31.958 746 H TYR 97 H TYR 97 1.836 -0.891 -30.673 747 HA TYR 97 HA TYR 97 3.415 0.008 -28.597 748 HB2 TYR 97 HB2 TYR 97 1.370 0.778 -27.535 749 HB3 TYR 97 HB3 TYR 97 1.260 1.025 -29.274 750 HD1 TYR 97 HD1 TYR 97 0.035 -0.968 -26.437 751 HD2 TYR 97 HD2 TYR 97 -0.351 -0.175 -30.599 752 HE1 TYR 97 HE1 TYR 97 -2.086 -2.213 -26.471 753 HE2 TYR 97 HE2 TYR 97 -2.473 -1.417 -30.645 754 HH TYR 97 HH TYR 97 -4.291 -2.019 -28.921 755 H ALA 98 H ALA 98 1.596 -2.949 -28.853 756 HA ALA 98 HA ALA 98 1.366 -3.699 -26.191 757 HB1 ALA 98 HB1 ALA 98 1.660 -5.263 -28.727 758 HB2 ALA 98 HB2 ALA 98 1.586 -6.082 -27.166 759 HB3 ALA 98 HB3 ALA 98 0.244 -5.067 -27.693 760 H ASP 99 H ASP 99 4.170 -3.568 -28.224 761 HA ASP 99 HA ASP 99 5.829 -5.336 -26.765 762 HB2 ASP 99 HB2 ASP 99 6.476 -3.022 -28.597 763 HB3 ASP 99 HB3 ASP 99 7.701 -4.084 -27.907 764 H ALA 100 H ALA 100 5.100 -1.912 -26.464 765 HA ALA 100 HA ALA 100 7.103 -1.460 -24.442 766 HB1 ALA 100 HB1 ALA 100 5.133 0.596 -24.444 767 HB2 ALA 100 HB2 ALA 100 6.794 0.654 -25.035 768 HB3 ALA 100 HB3 ALA 100 5.492 0.155 -26.114 769 H ALA 101 H ALA 101 3.785 -2.435 -24.543 770 HA ALA 101 HA ALA 101 3.089 -1.704 -21.882 771 HB1 ALA 101 HB1 ALA 101 1.049 -2.417 -22.445 772 HB2 ALA 101 HB2 ALA 101 1.707 -2.615 -24.069 773 HB3 ALA 101 HB3 ALA 101 1.647 -3.992 -22.969 774 H ARG 102 H ARG 102 4.589 -4.509 -23.343 775 HA ARG 102 HA ARG 102 4.266 -6.372 -21.300 776 HB2 ARG 102 HB2 ARG 102 5.428 -6.463 -23.708 777 HB3 ARG 102 HB3 ARG 102 6.876 -6.302 -22.722 778 HG2 ARG 102 HG2 ARG 102 4.889 -8.343 -21.907 779 HG3 ARG 102 HG3 ARG 102 5.843 -8.656 -23.358 780 HD2 ARG 102 HD2 ARG 102 7.176 -7.761 -20.834 781 HD3 ARG 102 HD3 ARG 102 6.723 -9.451 -21.048 782 HE ARG 102 HE ARG 102 8.897 -8.082 -22.299 783 HH11 ARG 102 HH11 ARG 102 6.591 -10.661 -22.689 784 HH12 ARG 102 HH12 ARG 102 7.586 -11.560 -23.787 785 HH21 ARG 102 HH21 ARG 102 10.215 -9.255 -23.744 786 HH22 ARG 102 HH22 ARG 102 9.647 -10.759 -24.386 787 H THR 103 H THR 103 6.962 -4.102 -21.823 788 HA THR 103 HA THR 103 8.338 -4.777 -19.446 789 HB THR 103 HB THR 103 9.524 -3.680 -21.245 790 HG1 THR 103 HG1 THR 103 10.724 -2.800 -19.751 791 HG21 THR 103 HG21 THR 103 9.110 -1.317 -21.799 792 HG22 THR 103 HG22 THR 103 7.722 -1.314 -20.712 793 HG23 THR 103 HG23 THR 103 7.711 -2.330 -22.154 794 H PHE 104 H PHE 104 5.827 -2.442 -20.185 795 HA PHE 104 HA PHE 104 5.984 -0.803 -17.949 796 HB2 PHE 104 HB2 PHE 104 4.515 -0.255 -19.788 797 HB3 PHE 104 HB3 PHE 104 3.558 -1.706 -19.510 798 HD1 PHE 104 HD1 PHE 104 4.501 1.561 -18.056 799 HD2 PHE 104 HD2 PHE 104 1.776 -1.709 -17.985 800 HE1 PHE 104 HE1 PHE 104 3.019 2.832 -16.559 801 HE2 PHE 104 HE2 PHE 104 0.290 -0.442 -16.488 802 HZ PHE 104 HZ PHE 104 0.911 1.831 -15.772 803 H GLU 105 H GLU 105 3.900 -3.669 -18.370 804 HA GLU 105 HA GLU 105 2.889 -3.752 -15.779 805 HB2 GLU 105 HB2 GLU 105 3.270 -5.804 -17.923 806 HB3 GLU 105 HB3 GLU 105 2.753 -6.319 -16.324 807 HG2 GLU 105 HG2 GLU 105 0.682 -5.536 -16.605 808 HG3 GLU 105 HG3 GLU 105 1.240 -4.057 -17.384 809 H LYS 106 H LYS 106 5.826 -5.192 -17.119 810 HA LYS 106 HA LYS 106 6.593 -6.703 -14.894 811 HB2 LYS 106 HB2 LYS 106 7.725 -5.939 -17.399 812 HB3 LYS 106 HB3 LYS 106 8.928 -5.661 -16.147 813 HG2 LYS 106 HG2 LYS 106 9.160 -7.880 -17.090 814 HG3 LYS 106 HG3 LYS 106 8.682 -7.971 -15.393 815 HD2 LYS 106 HD2 LYS 106 6.437 -8.507 -15.969 816 HD3 LYS 106 HD3 LYS 106 6.716 -8.125 -17.670 817 HE2 LYS 106 HE2 LYS 106 8.017 -10.378 -16.143 818 HE3 LYS 106 HE3 LYS 106 6.657 -10.548 -17.251 819 HZ1 LYS 106 HZ1 LYS 106 8.283 -10.959 -18.725 820 HZ2 LYS 106 HZ2 LYS 106 9.474 -10.167 -17.822 821 HZ3 LYS 106 HZ3 LYS 106 8.417 -9.274 -18.795 822 H PHE 107 H PHE 107 7.243 -3.326 -15.727 823 HA PHE 107 HA PHE 107 9.051 -2.702 -13.714 824 HB2 PHE 107 HB2 PHE 107 7.243 -1.215 -15.479 825 HB3 PHE 107 HB3 PHE 107 7.565 -0.397 -13.953 826 HD1 PHE 107 HD1 PHE 107 9.395 -2.190 -16.665 827 HD2 PHE 107 HD2 PHE 107 9.392 0.986 -13.830 828 HE1 PHE 107 HE1 PHE 107 11.553 -1.404 -17.547 829 HE2 PHE 107 HE2 PHE 107 11.550 1.777 -14.709 830 HZ PHE 107 HZ PHE 107 12.633 0.581 -16.569 831 H ALA 108 H ALA 108 5.503 -2.547 -13.651 832 HA ALA 108 HA ALA 108 5.205 -1.529 -11.068 833 HB1 ALA 108 HB1 ALA 108 3.435 -3.247 -12.779 834 HB2 ALA 108 HB2 ALA 108 2.948 -2.717 -11.169 835 HB3 ALA 108 HB3 ALA 108 3.293 -1.526 -12.422 836 H MET 109 H MET 109 5.617 -4.846 -12.202 837 HA MET 109 HA MET 109 5.063 -6.182 -9.810 838 HB2 MET 109 HB2 MET 109 5.401 -7.197 -12.109 839 HB3 MET 109 HB3 MET 109 7.130 -7.045 -11.831 840 HG2 MET 109 HG2 MET 109 7.158 -8.937 -10.695 841 HG3 MET 109 HG3 MET 109 5.930 -8.331 -9.586 842 HE1 MET 109 HE1 MET 109 3.185 -10.431 -9.945 843 HE2 MET 109 HE2 MET 109 3.968 -9.008 -9.259 844 HE3 MET 109 HE3 MET 109 2.860 -8.834 -10.620 845 H GLY 110 H GLY 110 8.136 -4.915 -11.070 846 HA2 GLY 110 HA2 GLY 110 9.806 -5.823 -9.023 847 HA3 GLY 110 HA3 GLY 110 10.106 -4.401 -10.011 848 H LYS 111 H LYS 111 7.942 -2.816 -9.248 849 HA LYS 111 HA LYS 111 8.912 -1.518 -7.002 850 HB2 LYS 111 HB2 LYS 111 7.335 -0.563 -8.690 851 HB3 LYS 111 HB3 LYS 111 6.042 -1.499 -7.951 852 HG2 LYS 111 HG2 LYS 111 7.597 0.220 -6.130 853 HG3 LYS 111 HG3 LYS 111 6.587 1.048 -7.317 854 HD2 LYS 111 HD2 LYS 111 4.651 -0.264 -6.561 855 HD3 LYS 111 HD3 LYS 111 5.669 -1.055 -5.355 856 HE2 LYS 111 HE2 LYS 111 5.876 0.870 -4.082 857 HE3 LYS 111 HE3 LYS 111 5.484 1.928 -5.436 858 HZ1 LYS 111 HZ1 LYS 111 3.714 1.665 -3.692 859 HZ2 LYS 111 HZ2 LYS 111 3.509 0.076 -4.236 860 HZ3 LYS 111 HZ3 LYS 111 3.217 1.372 -5.282 861 H ILE 112 H ILE 112 6.224 -3.831 -7.230 862 HA ILE 112 HA ILE 112 5.381 -3.778 -4.588 863 HB ILE 112 HB ILE 112 5.462 -6.180 -6.418 864 HG12 ILE 112 HG12 ILE 112 3.161 -4.289 -5.923 865 HG13 ILE 112 HG13 ILE 112 4.284 -4.095 -7.265 866 HG21 ILE 112 HG21 ILE 112 3.981 -5.627 -3.862 867 HG22 ILE 112 HG22 ILE 112 3.474 -6.869 -5.005 868 HG23 ILE 112 HG23 ILE 112 5.057 -6.974 -4.235 869 HD11 ILE 112 HD11 ILE 112 2.903 -5.378 -8.428 870 HD12 ILE 112 HD12 ILE 112 3.482 -6.728 -7.454 871 HD13 ILE 112 HD13 ILE 112 2.017 -5.866 -6.983 872 H ASP 113 H ASP 113 7.855 -5.852 -6.079 873 HA ASP 113 HA ASP 113 8.535 -7.379 -3.871 874 HB2 ASP 113 HB2 ASP 113 10.135 -6.419 -6.231 875 HB3 ASP 113 HB3 ASP 113 10.869 -7.419 -4.980 876 H ALA 114 H ALA 114 9.653 -4.157 -4.789 877 HA ALA 114 HA ALA 114 11.652 -3.870 -2.838 878 HB1 ALA 114 HB1 ALA 114 10.225 -1.407 -3.495 879 HB2 ALA 114 HB2 ALA 114 11.922 -1.831 -3.719 880 HB3 ALA 114 HB3 ALA 114 10.721 -2.341 -4.906 881 H TYR 115 H TYR 115 8.200 -3.062 -2.779 882 HA TYR 115 HA TYR 115 8.048 -1.742 -0.361 883 HB2 TYR 115 HB2 TYR 115 6.107 -1.853 -1.744 884 HB3 TYR 115 HB3 TYR 115 6.089 -3.612 -1.693 885 HD1 TYR 115 HD1 TYR 115 6.528 -1.263 1.153 886 HD2 TYR 115 HD2 TYR 115 3.980 -4.072 -0.776 887 HE1 TYR 115 HE1 TYR 115 4.998 -1.187 3.077 888 HE2 TYR 115 HE2 TYR 115 2.442 -4.003 1.142 889 HH TYR 115 HH TYR 115 2.304 -1.711 3.307 890 H ILE 116 H ILE 116 7.881 -5.241 -0.951 891 HA ILE 116 HA ILE 116 7.491 -6.025 1.714 892 HB ILE 116 HB ILE 116 8.879 -7.554 -0.490 893 HG12 ILE 116 HG12 ILE 116 5.995 -7.689 0.408 894 HG13 ILE 116 HG13 ILE 116 6.547 -6.777 -0.993 895 HG21 ILE 116 HG21 ILE 116 9.425 -8.797 1.347 896 HG22 ILE 116 HG22 ILE 116 8.013 -8.271 2.260 897 HG23 ILE 116 HG23 ILE 116 7.839 -9.478 0.987 898 HD11 ILE 116 HD11 ILE 116 5.681 -9.375 -0.994 899 HD12 ILE 116 HD12 ILE 116 6.620 -8.595 -2.267 900 HD13 ILE 116 HD13 ILE 116 7.437 -9.542 -1.022 901 H SER 117 H SER 117 10.411 -5.326 -0.116 902 HA SER 117 HA SER 117 12.267 -6.338 1.755 903 HB2 SER 117 HB2 SER 117 12.390 -4.481 -0.575 904 HB3 SER 117 HB3 SER 117 13.747 -4.477 0.552 905 HG SER 117 HG SER 117 14.116 -6.607 0.116 906 H GLN 118 H GLN 118 10.802 -3.149 1.329 907 HA GLN 118 HA GLN 118 12.048 -2.299 3.857 908 HB2 GLN 118 HB2 GLN 118 11.508 0.025 3.074 909 HB3 GLN 118 HB3 GLN 118 12.691 -0.826 2.090 910 HG2 GLN 118 HG2 GLN 118 10.123 -1.355 1.016 911 HG3 GLN 118 HG3 GLN 118 10.257 0.381 1.291 912 HE21 GLN 118 HE21 GLN 118 12.670 -2.040 0.367 913 HE22 GLN 118 HE22 GLN 118 13.135 -1.268 -1.107 914 H LYS 119 H LYS 119 10.302 -3.614 4.867 915 HA LYS 119 HA LYS 119 7.793 -2.075 5.026 916 HB2 LYS 119 HB2 LYS 119 7.692 -4.442 4.062 917 HB3 LYS 119 HB3 LYS 119 8.061 -5.003 5.687 918 HG2 LYS 119 HG2 LYS 119 5.964 -3.242 6.061 919 HG3 LYS 119 HG3 LYS 119 5.555 -4.084 4.563 920 HD2 LYS 119 HD2 LYS 119 5.696 -6.211 5.632 921 HD3 LYS 119 HD3 LYS 119 6.394 -5.499 7.089 922 HE2 LYS 119 HE2 LYS 119 4.149 -4.108 7.057 923 HE3 LYS 119 HE3 LYS 119 3.579 -5.488 6.120 924 HZ1 LYS 119 HZ1 LYS 119 4.737 -5.565 8.852 925 HZ2 LYS 119 HZ2 LYS 119 4.331 -6.935 7.946 926 HZ3 LYS 119 HZ3 LYS 119 3.125 -5.852 8.429 927 H VAL 120 H VAL 120 10.535 -3.174 6.684 928 HA VAL 120 HA VAL 120 9.492 -3.423 9.304 929 HB VAL 120 HB VAL 120 11.684 -4.327 8.703 930 HG11 VAL 120 HG11 VAL 120 13.506 -3.071 8.052 931 HG12 VAL 120 HG12 VAL 120 12.182 -2.211 7.262 932 HG13 VAL 120 HG13 VAL 120 12.871 -1.587 8.762 933 HG21 VAL 120 HG21 VAL 120 11.153 -3.750 11.055 934 HG22 VAL 120 HG22 VAL 120 12.878 -3.679 10.693 935 HG23 VAL 120 HG23 VAL 120 11.941 -2.190 10.817 936 H GLY 121 H GLY 121 10.307 -0.700 7.332 937 HA2 GLY 121 HA2 GLY 121 9.008 1.204 8.818 938 HA3 GLY 121 HA3 GLY 121 10.639 1.177 9.472 939 H GLY 122 H GLY 122 9.492 0.796 6.127 940 HA2 GLY 122 HA2 GLY 122 10.949 3.272 5.451 941 HA3 GLY 122 HA3 GLY 122 11.176 1.806 4.510 942 H LEU 123 H LEU 123 8.596 0.873 4.296 943 HA LEU 123 HA LEU 123 7.275 3.040 2.797 944 HB2 LEU 123 HB2 LEU 123 8.069 0.367 2.022 945 HB3 LEU 123 HB3 LEU 123 6.343 0.625 1.776 946 HG LEU 123 HG LEU 123 6.812 2.529 0.337 947 HD11 LEU 123 HD11 LEU 123 8.708 3.634 0.751 948 HD12 LEU 123 HD12 LEU 123 9.475 2.429 -0.283 949 HD13 LEU 123 HD13 LEU 123 9.485 2.222 1.468 950 HD21 LEU 123 HD21 LEU 123 8.652 0.476 -0.751 951 HD22 LEU 123 HD22 LEU 123 7.274 1.281 -1.503 952 HD23 LEU 123 HD23 LEU 123 7.010 -0.033 -0.356 953 H GLU 124 H GLU 124 6.987 0.691 5.256 954 HA GLU 124 HA GLU 124 5.289 0.056 6.631 955 HB2 GLU 124 HB2 GLU 124 5.158 2.515 6.949 956 HB3 GLU 124 HB3 GLU 124 3.977 2.596 5.650 957 HG2 GLU 124 HG2 GLU 124 2.612 0.942 7.054 958 HG3 GLU 124 HG3 GLU 124 3.687 1.397 8.375 Start of MODEL 15 1 H1 MET 1 H1 MET 1 1.047 -0.649 -1.430 2 HA MET 1 HA MET 1 0.280 1.955 -1.950 3 HB2 MET 1 HB2 MET 1 0.088 0.104 0.265 4 HB3 MET 1 HB3 MET 1 0.329 1.747 0.844 5 HG2 MET 1 HG2 MET 1 -1.566 2.258 -0.927 6 HG3 MET 1 HG3 MET 1 -1.954 0.566 -0.628 7 HE1 MET 1 HE1 MET 1 -4.646 1.514 1.738 8 HE2 MET 1 HE2 MET 1 -4.410 2.340 0.197 9 HE3 MET 1 HE3 MET 1 -4.084 0.612 0.330 10 H SER 2 H SER 2 3.088 0.772 -0.179 11 HA SER 2 HA SER 2 4.921 1.819 0.680 12 HB2 SER 2 HB2 SER 2 4.962 4.154 -1.013 13 HB3 SER 2 HB3 SER 2 6.034 2.755 -1.026 14 HG SER 2 HG SER 2 4.202 1.704 -2.196 15 H GLN 3 H GLN 3 5.707 4.398 1.011 16 HA GLN 3 HA GLN 3 3.506 5.658 2.506 17 HB2 GLN 3 HB2 GLN 3 5.729 4.433 3.642 18 HB3 GLN 3 HB3 GLN 3 6.128 6.145 3.668 19 HG2 GLN 3 HG2 GLN 3 3.735 4.807 4.899 20 HG3 GLN 3 HG3 GLN 3 5.077 5.592 5.729 21 HE21 GLN 3 HE21 GLN 3 5.394 7.946 4.913 22 HE22 GLN 3 HE22 GLN 3 3.954 8.898 4.869 23 H ASN 4 H ASN 4 3.504 7.908 2.600 24 HA ASN 4 HA ASN 4 5.121 9.190 0.524 25 HB2 ASN 4 HB2 ASN 4 3.462 11.110 0.939 26 HB3 ASN 4 HB3 ASN 4 2.839 9.650 0.176 27 HD21 ASN 4 HD21 ASN 4 2.516 11.823 2.725 28 HD22 ASN 4 HD22 ASN 4 1.330 10.963 3.640 29 H ARG 5 H ARG 5 7.027 9.155 1.917 30 HA ARG 5 HA ARG 5 7.405 11.644 3.228 31 HB2 ARG 5 HB2 ARG 5 6.165 10.232 4.964 32 HB3 ARG 5 HB3 ARG 5 7.628 9.261 5.057 33 HG2 ARG 5 HG2 ARG 5 8.853 11.422 5.575 34 HG3 ARG 5 HG3 ARG 5 7.258 12.143 5.802 35 HD2 ARG 5 HD2 ARG 5 6.990 11.170 7.797 36 HD3 ARG 5 HD3 ARG 5 7.565 9.612 7.205 37 HE ARG 5 HE ARG 5 9.835 11.063 7.424 38 HH11 ARG 5 HH11 ARG 5 7.210 10.388 9.609 39 HH12 ARG 5 HH12 ARG 5 8.197 10.480 11.030 40 HH21 ARG 5 HH21 ARG 5 11.145 11.188 9.287 41 HH22 ARG 5 HH22 ARG 5 10.435 10.936 10.846 42 H GLN 6 H GLN 6 8.782 8.412 3.823 43 HA GLN 6 HA GLN 6 11.257 9.298 2.511 44 HB2 GLN 6 HB2 GLN 6 12.611 8.736 4.284 45 HB3 GLN 6 HB3 GLN 6 11.194 9.328 5.140 46 HG2 GLN 6 HG2 GLN 6 11.867 6.444 4.600 47 HG3 GLN 6 HG3 GLN 6 12.026 7.285 6.142 48 HE21 GLN 6 HE21 GLN 6 10.252 5.070 4.742 49 HE22 GLN 6 HE22 GLN 6 8.694 5.396 5.413 50 H LEU 7 H LEU 7 12.618 7.577 1.744 51 HA LEU 7 HA LEU 7 11.119 5.088 1.254 52 HB2 LEU 7 HB2 LEU 7 12.641 6.867 -0.493 53 HB3 LEU 7 HB3 LEU 7 13.078 5.168 -0.665 54 HG LEU 7 HG LEU 7 11.284 6.141 -2.225 55 HD11 LEU 7 HD11 LEU 7 11.241 3.579 -0.729 56 HD12 LEU 7 HD12 LEU 7 11.481 3.885 -2.449 57 HD13 LEU 7 HD13 LEU 7 9.860 3.961 -1.758 58 HD21 LEU 7 HD21 LEU 7 9.103 6.389 -1.445 59 HD22 LEU 7 HD22 LEU 7 10.079 7.176 -0.204 60 HD23 LEU 7 HD23 LEU 7 9.446 5.552 0.070 61 H LEU 8 H LEU 8 11.971 3.247 1.973 62 HA LEU 8 HA LEU 8 14.196 3.135 3.635 63 HB2 LEU 8 HB2 LEU 8 12.265 1.467 3.326 64 HB3 LEU 8 HB3 LEU 8 13.251 0.777 2.039 65 HG LEU 8 HG LEU 8 15.009 0.257 3.644 66 HD11 LEU 8 HD11 LEU 8 13.178 1.667 5.555 67 HD12 LEU 8 HD12 LEU 8 14.899 1.927 5.269 68 HD13 LEU 8 HD13 LEU 8 14.355 0.475 6.110 69 HD21 LEU 8 HD21 LEU 8 13.782 -1.444 4.960 70 HD22 LEU 8 HD22 LEU 8 13.338 -1.435 3.253 71 HD23 LEU 8 HD23 LEU 8 12.265 -0.704 4.447 72 H TYR 9 H TYR 9 13.971 1.708 0.369 73 HA TYR 9 HA TYR 9 16.354 2.781 -0.611 74 HB2 TYR 9 HB2 TYR 9 16.705 0.496 1.153 75 HB3 TYR 9 HB3 TYR 9 17.349 0.186 -0.455 76 HD1 TYR 9 HD1 TYR 9 18.550 2.565 -1.361 77 HD2 TYR 9 HD2 TYR 9 18.359 1.106 2.631 78 HE1 TYR 9 HE1 TYR 9 20.573 3.847 -0.802 79 HE2 TYR 9 HE2 TYR 9 20.382 2.384 3.201 80 HH TYR 9 HH TYR 9 21.809 3.980 2.503 81 HA PRO 10 HA PRO 10 13.556 0.570 -3.576 82 HB2 PRO 10 HB2 PRO 10 13.300 2.682 -5.262 83 HB3 PRO 10 HB3 PRO 10 12.261 2.448 -3.851 84 HG2 PRO 10 HG2 PRO 10 14.658 4.214 -4.167 85 HG3 PRO 10 HG3 PRO 10 13.104 4.565 -3.388 86 HD2 PRO 10 HD2 PRO 10 15.324 3.907 -1.983 87 HD3 PRO 10 HD3 PRO 10 13.689 3.470 -1.445 88 H ARG 11 H ARG 11 14.652 -0.751 -4.877 89 HA ARG 11 HA ARG 11 16.097 0.080 -7.112 90 HB2 ARG 11 HB2 ARG 11 18.379 -0.850 -6.256 91 HB3 ARG 11 HB3 ARG 11 17.928 0.812 -5.900 92 HG2 ARG 11 HG2 ARG 11 17.441 0.326 -3.668 93 HG3 ARG 11 HG3 ARG 11 17.357 -1.410 -3.973 94 HD2 ARG 11 HD2 ARG 11 19.912 -0.748 -4.766 95 HD3 ARG 11 HD3 ARG 11 19.651 0.274 -3.354 96 HE ARG 11 HE ARG 11 18.805 -2.282 -2.681 97 HH11 ARG 11 HH11 ARG 11 21.760 -0.683 -3.590 98 HH12 ARG 11 HH12 ARG 11 22.774 -1.764 -2.693 99 HH21 ARG 11 HH21 ARG 11 20.129 -3.712 -1.496 100 HH22 ARG 11 HH22 ARG 11 21.846 -3.487 -1.503 101 H GLU 12 H GLU 12 15.575 -2.383 -4.671 102 HA GLU 12 HA GLU 12 16.524 -4.638 -5.958 103 HB2 GLU 12 HB2 GLU 12 15.481 -4.400 -3.617 104 HB3 GLU 12 HB3 GLU 12 13.937 -4.646 -4.421 105 HG2 GLU 12 HG2 GLU 12 14.862 -6.706 -3.446 106 HG3 GLU 12 HG3 GLU 12 14.618 -6.815 -5.188 107 H GLU 13 H GLU 13 13.678 -2.752 -6.622 108 HA GLU 13 HA GLU 13 12.444 -4.735 -8.302 109 HB2 GLU 13 HB2 GLU 13 11.790 -1.799 -8.316 110 HB3 GLU 13 HB3 GLU 13 10.733 -3.157 -8.673 111 HG2 GLU 13 HG2 GLU 13 10.004 -3.073 -6.592 112 HG3 GLU 13 HG3 GLU 13 11.611 -3.551 -6.047 113 H MET 14 H MET 14 14.129 -1.650 -8.851 114 HA MET 14 HA MET 14 13.987 -1.509 -11.594 115 HB2 MET 14 HB2 MET 14 14.930 0.317 -10.391 116 HB3 MET 14 HB3 MET 14 16.197 -0.696 -9.711 117 HG2 MET 14 HG2 MET 14 16.218 -0.676 -12.615 118 HG3 MET 14 HG3 MET 14 16.413 0.930 -11.917 119 HE1 MET 14 HE1 MET 14 17.803 -2.339 -12.818 120 HE2 MET 14 HE2 MET 14 18.768 -1.102 -13.623 121 HE3 MET 14 HE3 MET 14 19.523 -2.189 -12.457 122 H VAL 15 H VAL 15 16.550 -3.089 -9.687 123 HA VAL 15 HA VAL 15 18.076 -4.069 -11.784 124 HB VAL 15 HB VAL 15 18.885 -5.796 -10.226 125 HG11 VAL 15 HG11 VAL 15 18.547 -3.040 -9.051 126 HG12 VAL 15 HG12 VAL 15 19.675 -4.254 -8.445 127 HG13 VAL 15 HG13 VAL 15 19.866 -3.607 -10.075 128 HG21 VAL 15 HG21 VAL 15 16.753 -4.763 -8.357 129 HG22 VAL 15 HG22 VAL 15 16.719 -6.321 -9.183 130 HG23 VAL 15 HG23 VAL 15 17.970 -5.984 -7.986 131 H SER 16 H SER 16 15.053 -5.228 -10.493 132 HA SER 16 HA SER 16 15.090 -7.835 -11.548 133 HB2 SER 16 HB2 SER 16 13.403 -6.542 -9.914 134 HB3 SER 16 HB3 SER 16 12.490 -6.395 -11.415 135 HG SER 16 HG SER 16 12.096 -8.333 -10.095 136 H LEU 17 H LEU 17 13.643 -4.849 -12.844 137 HA LEU 17 HA LEU 17 12.677 -5.910 -15.233 138 HB2 LEU 17 HB2 LEU 17 13.745 -3.132 -14.751 139 HB3 LEU 17 HB3 LEU 17 12.688 -3.621 -16.074 140 HG LEU 17 HG LEU 17 11.116 -2.723 -14.719 141 HD11 LEU 17 HD11 LEU 17 10.733 -5.213 -14.874 142 HD12 LEU 17 HD12 LEU 17 9.905 -4.383 -13.557 143 HD13 LEU 17 HD13 LEU 17 11.361 -5.323 -13.230 144 HD21 LEU 17 HD21 LEU 17 11.910 -1.770 -12.872 145 HD22 LEU 17 HD22 LEU 17 13.214 -2.950 -12.739 146 HD23 LEU 17 HD23 LEU 17 11.628 -3.308 -12.055 147 H VAL 18 H VAL 18 15.685 -4.035 -14.799 148 HA VAL 18 HA VAL 18 16.755 -4.366 -17.312 149 HB VAL 18 HB VAL 18 17.741 -2.913 -15.581 150 HG11 VAL 18 HG11 VAL 18 18.771 -5.494 -14.407 151 HG12 VAL 18 HG12 VAL 18 19.236 -3.872 -13.890 152 HG13 VAL 18 HG13 VAL 18 17.573 -4.424 -13.679 153 HG21 VAL 18 HG21 VAL 18 19.006 -4.117 -17.619 154 HG22 VAL 18 HG22 VAL 18 19.785 -2.948 -16.552 155 HG23 VAL 18 HG23 VAL 18 20.007 -4.676 -16.279 156 H ARG 19 H ARG 19 16.680 -6.639 -14.652 157 HA ARG 19 HA ARG 19 18.568 -8.470 -15.744 158 HB2 ARG 19 HB2 ARG 19 16.683 -8.421 -13.471 159 HB3 ARG 19 HB3 ARG 19 17.061 -10.017 -14.104 160 HG2 ARG 19 HG2 ARG 19 19.303 -8.146 -13.547 161 HG3 ARG 19 HG3 ARG 19 18.489 -8.927 -12.189 162 HD2 ARG 19 HD2 ARG 19 19.439 -10.520 -14.543 163 HD3 ARG 19 HD3 ARG 19 20.546 -10.079 -13.244 164 HE ARG 19 HE ARG 19 18.136 -11.308 -12.298 165 HH11 ARG 19 HH11 ARG 19 21.318 -11.902 -13.578 166 HH12 ARG 19 HH12 ARG 19 21.453 -13.476 -12.867 167 HH21 ARG 19 HH21 ARG 19 18.301 -13.379 -11.356 168 HH22 ARG 19 HH22 ARG 19 19.736 -14.315 -11.603 169 H SER 20 H SER 20 15.064 -8.141 -15.912 170 HA SER 20 HA SER 20 14.482 -10.609 -17.111 171 HB2 SER 20 HB2 SER 20 12.340 -9.749 -17.534 172 HB3 SER 20 HB3 SER 20 12.878 -8.829 -16.129 173 HG SER 20 HG SER 20 12.430 -8.002 -18.734 174 H LEU 21 H LEU 21 15.709 -7.621 -18.422 175 HA LEU 21 HA LEU 21 15.510 -8.700 -21.147 176 HB2 LEU 21 HB2 LEU 21 15.799 -6.485 -21.951 177 HB3 LEU 21 HB3 LEU 21 14.587 -6.433 -20.672 178 HG LEU 21 HG LEU 21 17.082 -5.897 -19.462 179 HD11 LEU 21 HD11 LEU 21 18.234 -4.494 -20.774 180 HD12 LEU 21 HD12 LEU 21 16.777 -3.768 -21.451 181 HD13 LEU 21 HD13 LEU 21 17.383 -5.293 -22.096 182 HD21 LEU 21 HD21 LEU 21 15.248 -4.913 -18.490 183 HD22 LEU 21 HD22 LEU 21 14.553 -4.424 -20.036 184 HD23 LEU 21 HD23 LEU 21 15.932 -3.547 -19.372 185 H ASP 22 H ASP 22 17.371 -8.380 -22.580 186 HA ASP 22 HA ASP 22 19.936 -7.704 -21.718 187 HB2 ASP 22 HB2 ASP 22 19.236 -10.013 -20.478 188 HB3 ASP 22 HB3 ASP 22 19.966 -10.650 -21.949 189 H ARG 23 H ARG 23 18.599 -7.147 -23.984 190 HA ARG 23 HA ARG 23 20.009 -8.742 -26.022 191 HB2 ARG 23 HB2 ARG 23 18.097 -7.990 -27.558 192 HB3 ARG 23 HB3 ARG 23 17.749 -9.253 -26.385 193 HG2 ARG 23 HG2 ARG 23 17.225 -6.667 -25.250 194 HG3 ARG 23 HG3 ARG 23 16.363 -6.864 -26.777 195 HD2 ARG 23 HD2 ARG 23 15.133 -7.625 -24.708 196 HD3 ARG 23 HD3 ARG 23 15.257 -8.807 -26.010 197 HE ARG 23 HE ARG 23 17.409 -9.209 -24.283 198 HH11 ARG 23 HH11 ARG 23 13.936 -9.451 -24.255 199 HH12 ARG 23 HH12 ARG 23 13.903 -10.718 -23.074 200 HH21 ARG 23 HH21 ARG 23 17.379 -10.876 -22.727 201 HH22 ARG 23 HH22 ARG 23 15.862 -11.527 -22.204 202 HA PRO 24 HA PRO 24 21.325 -4.257 -26.157 203 HB2 PRO 24 HB2 PRO 24 23.990 -4.766 -26.070 204 HB3 PRO 24 HB3 PRO 24 23.002 -4.569 -24.618 205 HG2 PRO 24 HG2 PRO 24 23.934 -7.083 -25.949 206 HG3 PRO 24 HG3 PRO 24 23.888 -6.682 -24.222 207 HD2 PRO 24 HD2 PRO 24 22.008 -8.228 -25.408 208 HD3 PRO 24 HD3 PRO 24 21.640 -7.155 -24.043 209 H GLN 25 H GLN 25 20.387 -4.701 -28.353 210 HA GLN 25 HA GLN 25 21.887 -5.869 -30.421 211 HB2 GLN 25 HB2 GLN 25 19.637 -3.877 -30.378 212 HB3 GLN 25 HB3 GLN 25 20.398 -4.351 -31.891 213 HG2 GLN 25 HG2 GLN 25 19.883 -6.765 -30.716 214 HG3 GLN 25 HG3 GLN 25 18.505 -5.791 -30.207 215 HE21 GLN 25 HE21 GLN 25 20.417 -6.554 -33.091 216 HE22 GLN 25 HE22 GLN 25 19.080 -6.566 -34.186 217 H GLU 26 H GLU 26 21.501 -2.448 -29.509 218 HA GLU 26 HA GLU 26 23.466 -1.576 -31.414 219 HB2 GLU 26 HB2 GLU 26 21.559 -0.343 -29.601 220 HB3 GLU 26 HB3 GLU 26 23.113 0.480 -29.567 221 HG2 GLU 26 HG2 GLU 26 22.116 -0.153 -32.250 222 HG3 GLU 26 HG3 GLU 26 21.130 0.988 -31.338 223 H ASN 27 H ASN 27 23.342 -1.813 -27.866 224 HA ASN 27 HA ASN 27 24.978 -1.782 -26.279 225 HB2 ASN 27 HB2 ASN 27 25.424 -3.948 -27.491 226 HB3 ASN 27 HB3 ASN 27 26.665 -3.103 -28.411 227 HD21 ASN 27 HD21 ASN 27 25.675 -4.034 -25.169 228 HD22 ASN 27 HD22 ASN 27 27.263 -4.051 -24.490 229 H GLY 28 H GLY 28 24.865 0.656 -27.033 230 HA2 GLY 28 HA2 GLY 28 27.576 1.599 -26.953 231 HA3 GLY 28 HA3 GLY 28 26.796 1.930 -28.492 232 H LEU 29 H LEU 29 24.169 2.369 -27.437 233 HA LEU 29 HA LEU 29 24.198 4.358 -25.417 234 HB2 LEU 29 HB2 LEU 29 25.219 5.835 -26.896 235 HB3 LEU 29 HB3 LEU 29 24.314 5.224 -28.279 236 HG LEU 29 HG LEU 29 22.785 6.595 -26.133 237 HD11 LEU 29 HD11 LEU 29 24.009 8.448 -26.208 238 HD12 LEU 29 HD12 LEU 29 23.489 8.628 -27.883 239 HD13 LEU 29 HD13 LEU 29 25.011 7.817 -27.515 240 HD21 LEU 29 HD21 LEU 29 21.220 6.695 -27.717 241 HD22 LEU 29 HD22 LEU 29 22.236 5.594 -28.646 242 HD23 LEU 29 HD23 LEU 29 22.354 7.334 -28.908 243 H PHE 30 H PHE 30 22.610 3.015 -28.256 244 HA PHE 30 HA PHE 30 19.992 3.893 -27.565 245 HB2 PHE 30 HB2 PHE 30 21.205 2.137 -29.604 246 HB3 PHE 30 HB3 PHE 30 19.546 1.741 -29.167 247 HD1 PHE 30 HD1 PHE 30 21.707 4.533 -30.308 248 HD2 PHE 30 HD2 PHE 30 17.768 2.940 -30.066 249 HE1 PHE 30 HE1 PHE 30 20.897 6.322 -31.789 250 HE2 PHE 30 HE2 PHE 30 16.951 4.727 -31.548 251 HZ PHE 30 HZ PHE 30 18.516 6.422 -32.410 252 H SER 31 H SER 31 21.998 1.605 -26.200 253 HA SER 31 HA SER 31 19.796 0.487 -24.668 254 HB2 SER 31 HB2 SER 31 21.743 -1.317 -26.126 255 HB3 SER 31 HB3 SER 31 20.446 -1.833 -25.048 256 HG SER 31 HG SER 31 20.238 -1.590 -27.585 257 H GLN 32 H GLN 32 22.212 2.217 -24.301 258 HA GLN 32 HA GLN 32 23.069 1.064 -21.817 259 HB2 GLN 32 HB2 GLN 32 24.650 0.608 -24.154 260 HB3 GLN 32 HB3 GLN 32 25.529 1.696 -23.088 261 HG2 GLN 32 HG2 GLN 32 26.089 0.024 -21.759 262 HG3 GLN 32 HG3 GLN 32 24.399 -0.435 -21.555 263 HE21 GLN 32 HE21 GLN 32 23.620 -1.330 -23.919 264 HE22 GLN 32 HE22 GLN 32 24.568 -2.679 -24.435 265 H ASP 33 H ASP 33 25.022 2.546 -20.974 266 HA ASP 33 HA ASP 33 23.975 5.261 -21.129 267 HB2 ASP 33 HB2 ASP 33 25.934 3.913 -19.270 268 HB3 ASP 33 HB3 ASP 33 25.614 5.644 -19.222 269 H VAL 34 H VAL 34 24.743 6.396 -22.802 270 HA VAL 34 HA VAL 34 27.156 6.007 -24.134 271 HB VAL 34 HB VAL 34 25.238 7.351 -24.994 272 HG11 VAL 34 HG11 VAL 34 25.277 8.681 -22.687 273 HG12 VAL 34 HG12 VAL 34 26.275 9.776 -23.645 274 HG13 VAL 34 HG13 VAL 34 24.639 9.382 -24.173 275 HG21 VAL 34 HG21 VAL 34 28.032 7.811 -25.317 276 HG22 VAL 34 HG22 VAL 34 26.737 7.991 -26.500 277 HG23 VAL 34 HG23 VAL 34 27.183 9.349 -25.467 278 H LEU 35 H LEU 35 26.486 7.650 -21.165 279 HA LEU 35 HA LEU 35 28.820 9.280 -21.100 280 HB2 LEU 35 HB2 LEU 35 26.538 9.154 -19.638 281 HB3 LEU 35 HB3 LEU 35 27.686 8.400 -18.534 282 HG LEU 35 HG LEU 35 27.411 10.793 -18.091 283 HD11 LEU 35 HD11 LEU 35 29.717 11.334 -17.902 284 HD12 LEU 35 HD12 LEU 35 30.146 10.250 -19.224 285 HD13 LEU 35 HD13 LEU 35 29.572 9.589 -17.693 286 HD21 LEU 35 HD21 LEU 35 27.469 12.380 -19.662 287 HD22 LEU 35 HD22 LEU 35 27.299 11.060 -20.820 288 HD23 LEU 35 HD23 LEU 35 28.899 11.692 -20.432 289 H LEU 36 H LEU 36 28.240 5.953 -20.557 290 HA LEU 36 HA LEU 36 30.701 5.617 -19.014 291 HB2 LEU 36 HB2 LEU 36 28.372 3.857 -19.658 292 HB3 LEU 36 HB3 LEU 36 29.899 3.145 -19.140 293 HG LEU 36 HG LEU 36 28.373 3.335 -17.269 294 HD11 LEU 36 HD11 LEU 36 30.362 5.505 -16.782 295 HD12 LEU 36 HD12 LEU 36 30.922 3.872 -17.141 296 HD13 LEU 36 HD13 LEU 36 29.884 4.161 -15.745 297 HD21 LEU 36 HD21 LEU 36 27.462 5.604 -18.462 298 HD22 LEU 36 HD22 LEU 36 28.426 6.263 -17.141 299 HD23 LEU 36 HD23 LEU 36 27.116 5.132 -16.798 300 H GLN 37 H GLN 37 30.367 6.264 -22.005 301 HA GLN 37 HA GLN 37 31.764 3.973 -23.166 302 HB2 GLN 37 HB2 GLN 37 30.728 6.481 -24.498 303 HB3 GLN 37 HB3 GLN 37 31.396 5.076 -25.319 304 HG2 GLN 37 HG2 GLN 37 28.968 4.926 -23.560 305 HG3 GLN 37 HG3 GLN 37 28.882 5.278 -25.285 306 HE21 GLN 37 HE21 GLN 37 27.631 3.087 -24.159 307 HE22 GLN 37 HE22 GLN 37 28.396 1.645 -24.725 308 H TYR 38 H TYR 38 32.148 7.471 -23.683 309 HA TYR 38 HA TYR 38 34.914 7.368 -22.823 310 HB2 TYR 38 HB2 TYR 38 34.335 6.916 -25.517 311 HB3 TYR 38 HB3 TYR 38 34.822 8.606 -25.447 312 HD1 TYR 38 HD1 TYR 38 35.919 5.254 -24.213 313 HD2 TYR 38 HD2 TYR 38 37.073 9.111 -25.587 314 HE1 TYR 38 HE1 TYR 38 38.279 4.564 -24.147 315 HE2 TYR 38 HE2 TYR 38 39.437 8.432 -25.526 316 HH TYR 38 HH TYR 38 40.375 5.119 -24.715 317 HA PRO 39 HA PRO 39 33.928 11.485 -21.616 318 HB2 PRO 39 HB2 PRO 39 36.447 12.441 -21.280 319 HB3 PRO 39 HB3 PRO 39 35.689 11.313 -20.150 320 HG2 PRO 39 HG2 PRO 39 37.640 10.764 -22.354 321 HG3 PRO 39 HG3 PRO 39 37.600 10.109 -20.706 322 HD2 PRO 39 HD2 PRO 39 36.694 8.722 -22.848 323 HD3 PRO 39 HD3 PRO 39 35.983 8.552 -21.230 324 H GLU 40 H GLU 40 33.158 11.749 -23.953 325 HA GLU 40 HA GLU 40 34.383 14.104 -25.025 326 HB2 GLU 40 HB2 GLU 40 34.767 13.163 -27.299 327 HB3 GLU 40 HB3 GLU 40 35.861 12.526 -26.079 328 HG2 GLU 40 HG2 GLU 40 34.025 10.637 -25.925 329 HG3 GLU 40 HG3 GLU 40 33.683 11.174 -27.569 330 H LEU 41 H LEU 41 32.081 11.468 -25.482 331 HA LEU 41 HA LEU 41 30.299 13.233 -26.981 332 HB2 LEU 41 HB2 LEU 41 28.913 11.132 -27.184 333 HB3 LEU 41 HB3 LEU 41 30.484 11.118 -27.983 334 HG LEU 41 HG LEU 41 29.678 9.025 -26.677 335 HD11 LEU 41 HD11 LEU 41 32.378 9.578 -25.749 336 HD12 LEU 41 HD12 LEU 41 32.135 9.986 -27.447 337 HD13 LEU 41 HD13 LEU 41 31.793 8.353 -26.875 338 HD21 LEU 41 HD21 LEU 41 29.098 10.246 -24.621 339 HD22 LEU 41 HD22 LEU 41 30.794 10.689 -24.422 340 HD23 LEU 41 HD23 LEU 41 30.310 8.995 -24.336 341 H ALA 42 H ALA 42 30.855 13.532 -24.080 342 HA ALA 42 HA ALA 42 28.629 12.645 -22.579 343 HB1 ALA 42 HB1 ALA 42 29.447 13.963 -20.828 344 HB2 ALA 42 HB2 ALA 42 30.889 13.495 -21.731 345 HB3 ALA 42 HB3 ALA 42 30.211 15.111 -21.928 346 H GLU 43 H GLU 43 29.057 15.232 -24.808 347 HA GLU 43 HA GLU 43 27.028 16.967 -23.849 348 HB2 GLU 43 HB2 GLU 43 28.555 16.676 -26.394 349 HB3 GLU 43 HB3 GLU 43 27.091 17.649 -26.412 350 HG2 GLU 43 HG2 GLU 43 27.980 19.269 -25.074 351 HG3 GLU 43 HG3 GLU 43 29.091 18.156 -24.277 352 H SER 44 H SER 44 27.061 14.468 -26.375 353 HA SER 44 HA SER 44 24.402 14.769 -27.204 354 HB2 SER 44 HB2 SER 44 24.683 12.765 -28.393 355 HB3 SER 44 HB3 SER 44 26.324 13.399 -28.272 356 HG SER 44 HG SER 44 26.677 11.983 -26.532 357 H TYR 45 H TYR 45 25.794 13.154 -24.457 358 HA TYR 45 HA TYR 45 23.845 11.345 -23.748 359 HB2 TYR 45 HB2 TYR 45 25.967 11.606 -22.536 360 HB3 TYR 45 HB3 TYR 45 25.414 13.148 -21.891 361 HD1 TYR 45 HD1 TYR 45 23.581 9.919 -22.226 362 HD2 TYR 45 HD2 TYR 45 25.238 12.822 -19.594 363 HE1 TYR 45 HE1 TYR 45 22.572 8.751 -20.312 364 HE2 TYR 45 HE2 TYR 45 24.234 11.661 -17.672 365 HH TYR 45 HH TYR 45 22.652 8.558 -18.021 366 H THR 46 H THR 46 24.011 14.762 -22.745 367 HA THR 46 HA THR 46 21.439 14.723 -21.514 368 HB THR 46 HB THR 46 23.038 16.331 -20.725 369 HG1 THR 46 HG1 THR 46 21.031 17.195 -20.529 370 HG21 THR 46 HG21 THR 46 23.048 17.377 -23.556 371 HG22 THR 46 HG22 THR 46 24.397 16.649 -22.684 372 HG23 THR 46 HG23 THR 46 23.768 18.220 -22.185 373 H LYS 47 H LYS 47 22.642 15.559 -24.698 374 HA LYS 47 HA LYS 47 20.537 17.012 -25.733 375 HB2 LYS 47 HB2 LYS 47 22.610 16.628 -26.963 376 HB3 LYS 47 HB3 LYS 47 22.221 14.920 -27.124 377 HG2 LYS 47 HG2 LYS 47 20.244 16.863 -28.165 378 HG3 LYS 47 HG3 LYS 47 21.759 16.683 -29.053 379 HD2 LYS 47 HD2 LYS 47 20.413 14.182 -28.237 380 HD3 LYS 47 HD3 LYS 47 19.597 15.140 -29.474 381 HE2 LYS 47 HE2 LYS 47 22.441 14.929 -29.977 382 HE3 LYS 47 HE3 LYS 47 21.682 13.343 -29.858 383 HZ1 LYS 47 HZ1 LYS 47 20.883 13.616 -31.888 384 HZ2 LYS 47 HZ2 LYS 47 21.606 15.141 -31.999 385 HZ3 LYS 47 HZ3 LYS 47 20.031 14.993 -31.400 386 H VAL 48 H VAL 48 20.735 13.592 -25.067 387 HA VAL 48 HA VAL 48 17.972 13.284 -26.051 388 HB VAL 48 HB VAL 48 19.722 11.974 -27.315 389 HG11 VAL 48 HG11 VAL 48 20.939 11.443 -25.089 390 HG12 VAL 48 HG12 VAL 48 19.785 10.114 -24.973 391 HG13 VAL 48 HG13 VAL 48 20.880 10.214 -26.352 392 HG21 VAL 48 HG21 VAL 48 18.172 9.773 -26.375 393 HG22 VAL 48 HG22 VAL 48 17.162 11.219 -26.387 394 HG23 VAL 48 HG23 VAL 48 17.983 10.705 -27.860 395 H CYS 49 H CYS 49 18.845 14.148 -23.407 396 HA CYS 49 HA CYS 49 18.279 13.812 -21.231 397 HB2 CYS 49 HB2 CYS 49 16.378 12.152 -22.736 398 HB3 CYS 49 HB3 CYS 49 16.621 11.633 -21.073 399 HG CYS 49 HG CYS 49 14.872 14.179 -22.239 400 HA PRO 50 HA PRO 50 20.897 10.746 -19.507 401 HB2 PRO 50 HB2 PRO 50 19.645 10.055 -17.200 402 HB3 PRO 50 HB3 PRO 50 20.439 11.617 -17.431 403 HG2 PRO 50 HG2 PRO 50 17.535 10.920 -17.634 404 HG3 PRO 50 HG3 PRO 50 18.297 12.330 -16.875 405 HD2 PRO 50 HD2 PRO 50 17.166 12.432 -19.333 406 HD3 PRO 50 HD3 PRO 50 18.569 13.423 -18.886 407 H ASN 51 H ASN 51 20.044 9.379 -21.442 408 HA ASN 51 HA ASN 51 19.526 7.312 -22.237 409 HB2 ASN 51 HB2 ASN 51 19.587 6.502 -19.321 410 HB3 ASN 51 HB3 ASN 51 19.657 5.409 -20.700 411 HD21 ASN 51 HD21 ASN 51 21.389 6.790 -22.346 412 HD22 ASN 51 HD22 ASN 51 22.953 6.830 -21.614 413 H ARG 52 H ARG 52 17.558 7.279 -23.116 414 HA ARG 52 HA ARG 52 15.237 7.018 -21.318 415 HB2 ARG 52 HB2 ARG 52 15.245 8.169 -24.112 416 HB3 ARG 52 HB3 ARG 52 13.890 8.131 -22.991 417 HG2 ARG 52 HG2 ARG 52 15.805 9.445 -21.546 418 HG3 ARG 52 HG3 ARG 52 16.109 10.009 -23.190 419 HD2 ARG 52 HD2 ARG 52 13.277 9.932 -22.452 420 HD3 ARG 52 HD3 ARG 52 14.243 11.042 -21.480 421 HE ARG 52 HE ARG 52 14.557 12.369 -23.341 422 HH11 ARG 52 HH11 ARG 52 13.069 9.357 -24.253 423 HH12 ARG 52 HH12 ARG 52 12.683 9.884 -25.858 424 HH21 ARG 52 HH21 ARG 52 14.053 13.075 -25.451 425 HH22 ARG 52 HH22 ARG 52 13.244 11.998 -26.538 426 H CYS 53 H CYS 53 16.850 4.835 -22.252 427 HA CYS 53 HA CYS 53 15.248 3.553 -24.323 428 HB2 CYS 53 HB2 CYS 53 17.614 3.280 -24.583 429 HB3 CYS 53 HB3 CYS 53 17.796 2.748 -22.916 430 HG CYS 53 HG CYS 53 15.797 0.572 -23.919 431 H ASP 54 H ASP 54 16.651 2.175 -21.367 432 HA ASP 54 HA ASP 54 14.264 1.663 -20.011 433 HB2 ASP 54 HB2 ASP 54 14.874 -0.209 -22.175 434 HB3 ASP 54 HB3 ASP 54 14.660 -1.000 -20.616 435 H LEU 55 H LEU 55 16.872 -0.645 -20.711 436 HA LEU 55 HA LEU 55 17.391 -1.219 -18.015 437 HB2 LEU 55 HB2 LEU 55 19.211 -2.495 -18.764 438 HB3 LEU 55 HB3 LEU 55 18.005 -2.591 -20.045 439 HG LEU 55 HG LEU 55 20.334 -0.687 -20.147 440 HD11 LEU 55 HD11 LEU 55 20.155 -3.510 -21.184 441 HD12 LEU 55 HD12 LEU 55 21.279 -2.888 -19.976 442 HD13 LEU 55 HD13 LEU 55 21.395 -2.345 -21.650 443 HD21 LEU 55 HD21 LEU 55 18.969 0.061 -21.789 444 HD22 LEU 55 HD22 LEU 55 18.123 -1.480 -21.940 445 HD23 LEU 55 HD23 LEU 55 19.706 -1.267 -22.687 446 H ALA 56 H ALA 56 18.764 1.157 -20.206 447 HA ALA 56 HA ALA 56 20.906 1.929 -18.484 448 HB1 ALA 56 HB1 ALA 56 19.650 3.356 -20.824 449 HB2 ALA 56 HB2 ALA 56 21.134 3.855 -20.012 450 HB3 ALA 56 HB3 ALA 56 21.071 2.311 -20.863 451 H THR 57 H THR 57 17.617 3.068 -19.027 452 HA THR 57 HA THR 57 17.823 5.426 -17.469 453 HB THR 57 HB THR 57 15.276 3.874 -17.913 454 HG1 THR 57 HG1 THR 57 15.943 4.087 -19.962 455 HG21 THR 57 HG21 THR 57 15.822 6.835 -17.687 456 HG22 THR 57 HG22 THR 57 15.186 5.818 -16.396 457 HG23 THR 57 HG23 THR 57 14.242 6.074 -17.863 458 H ALA 58 H ALA 58 16.658 2.154 -16.737 459 HA ALA 58 HA ALA 58 15.963 2.743 -14.038 460 HB1 ALA 58 HB1 ALA 58 15.586 0.608 -15.787 461 HB2 ALA 58 HB2 ALA 58 16.570 -0.043 -14.475 462 HB3 ALA 58 HB3 ALA 58 15.025 0.729 -14.119 463 H ALA 59 H ALA 59 18.741 1.094 -15.530 464 HA ALA 59 HA ALA 59 20.135 0.427 -13.229 465 HB1 ALA 59 HB1 ALA 59 21.168 1.196 -15.952 466 HB2 ALA 59 HB2 ALA 59 22.173 0.515 -14.672 467 HB3 ALA 59 HB3 ALA 59 20.842 -0.427 -15.344 468 H ASP 60 H ASP 60 20.117 3.468 -15.034 469 HA ASP 60 HA ASP 60 22.145 4.725 -13.492 470 HB2 ASP 60 HB2 ASP 60 21.449 5.446 -15.782 471 HB3 ASP 60 HB3 ASP 60 19.944 6.046 -15.092 472 H ARG 61 H ARG 61 18.687 4.387 -13.148 473 HA ARG 61 HA ARG 61 18.223 6.442 -11.290 474 HB2 ARG 61 HB2 ARG 61 16.764 4.236 -12.409 475 HB3 ARG 61 HB3 ARG 61 16.494 4.293 -10.672 476 HG2 ARG 61 HG2 ARG 61 14.815 5.561 -11.930 477 HG3 ARG 61 HG3 ARG 61 15.737 6.580 -10.824 478 HD2 ARG 61 HD2 ARG 61 16.836 6.351 -13.544 479 HD3 ARG 61 HD3 ARG 61 15.278 7.168 -13.428 480 HE ARG 61 HE ARG 61 17.819 8.147 -12.518 481 HH11 ARG 61 HH11 ARG 61 14.369 8.329 -12.091 482 HH12 ARG 61 HH12 ARG 61 14.406 9.923 -11.412 483 HH21 ARG 61 HH21 ARG 61 17.881 10.245 -11.625 484 HH22 ARG 61 HH22 ARG 61 16.404 11.012 -11.148 485 H ALA 62 H ALA 62 19.080 3.030 -10.833 486 HA ALA 62 HA ALA 62 19.189 3.329 -7.956 487 HB1 ALA 62 HB1 ALA 62 19.711 0.989 -7.894 488 HB2 ALA 62 HB2 ALA 62 18.402 1.239 -9.050 489 HB3 ALA 62 HB3 ALA 62 20.048 0.971 -9.625 490 H ALA 63 H ALA 63 21.475 2.856 -10.624 491 HA ALA 63 HA ALA 63 23.826 2.571 -9.194 492 HB1 ALA 63 HB1 ALA 63 24.893 3.690 -11.232 493 HB2 ALA 63 HB2 ALA 63 23.960 2.217 -11.502 494 HB3 ALA 63 HB3 ALA 63 23.254 3.789 -11.876 495 H LYS 64 H LYS 64 21.895 5.410 -9.721 496 HA LYS 64 HA LYS 64 23.792 7.405 -9.205 497 HB2 LYS 64 HB2 LYS 64 20.816 7.227 -8.977 498 HB3 LYS 64 HB3 LYS 64 21.638 8.621 -8.287 499 HG2 LYS 64 HG2 LYS 64 22.413 7.932 -11.039 500 HG3 LYS 64 HG3 LYS 64 20.752 8.490 -10.825 501 HD2 LYS 64 HD2 LYS 64 21.953 10.452 -11.221 502 HD3 LYS 64 HD3 LYS 64 21.788 10.409 -9.464 503 HE2 LYS 64 HE2 LYS 64 23.998 10.176 -9.145 504 HE3 LYS 64 HE3 LYS 64 24.169 9.041 -10.483 505 HZ1 LYS 64 HZ1 LYS 64 23.904 11.074 -11.960 506 HZ2 LYS 64 HZ2 LYS 64 25.369 10.914 -11.129 507 HZ3 LYS 64 HZ3 LYS 64 24.193 11.995 -10.571 508 H GLY 65 H GLY 65 22.397 5.073 -7.131 509 HA2 GLY 65 HA2 GLY 65 23.521 4.728 -4.992 510 HA3 GLY 65 HA3 GLY 65 23.567 6.475 -4.810 511 H ALA 66 H ALA 66 20.673 5.196 -6.111 512 HA ALA 66 HA ALA 66 18.526 5.276 -5.334 513 HB1 ALA 66 HB1 ALA 66 19.808 3.976 -2.933 514 HB2 ALA 66 HB2 ALA 66 18.099 3.915 -3.366 515 HB3 ALA 66 HB3 ALA 66 19.299 3.143 -4.402 516 H TYR 67 H TYR 67 18.994 7.703 -5.219 517 HA TYR 67 HA TYR 67 19.562 9.108 -2.930 518 HB2 TYR 67 HB2 TYR 67 18.401 9.678 -5.466 519 HB3 TYR 67 HB3 TYR 67 17.407 10.450 -4.236 520 HD1 TYR 67 HD1 TYR 67 21.045 9.989 -4.987 521 HD2 TYR 67 HD2 TYR 67 17.959 12.616 -3.691 522 HE1 TYR 67 HE1 TYR 67 22.680 11.819 -4.823 523 HE2 TYR 67 HE2 TYR 67 19.584 14.454 -3.525 524 HH TYR 67 HH TYR 67 22.872 14.004 -3.509 525 H GLY 68 H GLY 68 16.601 7.446 -3.783 526 HA2 GLY 68 HA2 GLY 68 14.865 6.772 -2.415 527 HA3 GLY 68 HA3 GLY 68 15.713 7.496 -1.056 528 H TYR 69 H TYR 69 13.796 8.377 -0.228 529 HA TYR 69 HA TYR 69 12.181 9.952 0.069 530 HB2 TYR 69 HB2 TYR 69 14.382 11.317 -1.328 531 HB3 TYR 69 HB3 TYR 69 12.826 12.129 -1.451 532 HD1 TYR 69 HD1 TYR 69 11.558 11.818 1.072 533 HD2 TYR 69 HD2 TYR 69 15.702 12.340 0.259 534 HE1 TYR 69 HE1 TYR 69 11.873 12.769 3.318 535 HE2 TYR 69 HE2 TYR 69 16.028 13.292 2.504 536 HH TYR 69 HH TYR 69 13.641 14.431 4.382 537 H ASP 70 H ASP 70 10.445 8.927 -0.878 538 HA ASP 70 HA ASP 70 9.566 10.071 -3.407 539 HB2 ASP 70 HB2 ASP 70 10.750 7.601 -3.456 540 HB3 ASP 70 HB3 ASP 70 9.050 7.181 -3.266 541 H VAL 71 H VAL 71 7.555 10.762 -3.154 542 HA VAL 71 HA VAL 71 6.015 10.303 -0.862 543 HB VAL 71 HB VAL 71 5.766 12.252 -2.414 544 HG11 VAL 71 HG11 VAL 71 4.103 10.376 -4.084 545 HG12 VAL 71 HG12 VAL 71 4.475 12.070 -4.411 546 HG13 VAL 71 HG13 VAL 71 5.751 10.854 -4.493 547 HG21 VAL 71 HG21 VAL 71 3.248 12.311 -2.237 548 HG22 VAL 71 HG22 VAL 71 3.338 10.662 -1.618 549 HG23 VAL 71 HG23 VAL 71 4.112 11.978 -0.736 550 H GLN 72 H GLN 72 6.300 8.512 -3.807 551 HA GLN 72 HA GLN 72 4.980 6.255 -2.819 552 HB2 GLN 72 HB2 GLN 72 3.111 8.112 -3.445 553 HB3 GLN 72 HB3 GLN 72 3.265 7.290 -4.992 554 HG2 GLN 72 HG2 GLN 72 1.702 5.934 -4.142 555 HG3 GLN 72 HG3 GLN 72 3.076 5.171 -3.344 556 HE21 GLN 72 HE21 GLN 72 3.608 5.986 -1.172 557 HE22 GLN 72 HE22 GLN 72 2.310 6.460 -0.136 558 H LEU 73 H LEU 73 7.366 6.686 -4.112 559 HA LEU 73 HA LEU 73 8.683 5.960 -5.821 560 HB2 LEU 73 HB2 LEU 73 6.394 4.043 -6.236 561 HB3 LEU 73 HB3 LEU 73 8.024 3.858 -6.882 562 HG LEU 73 HG LEU 73 8.003 2.414 -5.069 563 HD11 LEU 73 HD11 LEU 73 8.933 4.810 -3.561 564 HD12 LEU 73 HD12 LEU 73 9.775 4.342 -5.038 565 HD13 LEU 73 HD13 LEU 73 9.658 3.207 -3.694 566 HD21 LEU 73 HD21 LEU 73 6.759 4.465 -3.263 567 HD22 LEU 73 HD22 LEU 73 6.893 2.722 -3.031 568 HD23 LEU 73 HD23 LEU 73 5.782 3.367 -4.239 569 H THR 74 H THR 74 7.139 8.187 -6.453 570 HA THR 74 HA THR 74 5.866 7.831 -9.004 571 HB THR 74 HB THR 74 6.732 10.405 -7.673 572 HG1 THR 74 HG1 THR 74 4.390 10.407 -7.140 573 HG21 THR 74 HG21 THR 74 6.297 10.783 -9.995 574 HG22 THR 74 HG22 THR 74 4.896 11.359 -9.094 575 HG23 THR 74 HG23 THR 74 4.827 9.811 -9.936 576 H THR 75 H THR 75 9.072 8.332 -7.920 577 HA THR 75 HA THR 75 10.165 9.729 -10.100 578 HB THR 75 HB THR 75 12.337 8.868 -9.383 579 HG1 THR 75 HG1 THR 75 10.790 7.166 -7.696 580 HG21 THR 75 HG21 THR 75 11.468 10.708 -8.103 581 HG22 THR 75 HG22 THR 75 12.245 9.581 -6.992 582 HG23 THR 75 HG23 THR 75 10.487 9.622 -7.120 583 H LEU 76 H LEU 76 9.986 6.230 -9.458 584 HA LEU 76 HA LEU 76 11.084 5.551 -12.020 585 HB2 LEU 76 HB2 LEU 76 9.969 4.052 -9.702 586 HB3 LEU 76 HB3 LEU 76 10.090 3.231 -11.256 587 HG LEU 76 HG LEU 76 11.995 2.822 -9.687 588 HD11 LEU 76 HD11 LEU 76 12.503 4.070 -12.376 589 HD12 LEU 76 HD12 LEU 76 12.342 2.359 -11.984 590 HD13 LEU 76 HD13 LEU 76 13.753 3.260 -11.432 591 HD21 LEU 76 HD21 LEU 76 12.171 5.023 -8.695 592 HD22 LEU 76 HD22 LEU 76 12.573 5.727 -10.261 593 HD23 LEU 76 HD23 LEU 76 13.689 4.601 -9.488 594 H LYS 77 H LYS 77 7.865 5.705 -10.597 595 HA LYS 77 HA LYS 77 6.465 4.474 -12.711 596 HB2 LYS 77 HB2 LYS 77 5.812 5.507 -10.230 597 HB3 LYS 77 HB3 LYS 77 4.982 6.588 -11.342 598 HG2 LYS 77 HG2 LYS 77 3.481 4.839 -10.742 599 HG3 LYS 77 HG3 LYS 77 3.963 4.592 -12.422 600 HD2 LYS 77 HD2 LYS 77 3.988 2.474 -11.270 601 HD3 LYS 77 HD3 LYS 77 5.647 2.945 -11.649 602 HE2 LYS 77 HE2 LYS 77 4.865 3.975 -9.078 603 HE3 LYS 77 HE3 LYS 77 4.596 2.234 -9.150 604 HZ1 LYS 77 HZ1 LYS 77 7.129 3.709 -9.543 605 HZ2 LYS 77 HZ2 LYS 77 6.940 2.110 -10.061 606 HZ3 LYS 77 HZ3 LYS 77 6.786 2.492 -8.420 607 H GLU 78 H GLU 78 7.326 7.848 -12.082 608 HA GLU 78 HA GLU 78 5.961 8.818 -14.419 609 HB2 GLU 78 HB2 GLU 78 6.392 10.137 -12.290 610 HB3 GLU 78 HB3 GLU 78 8.063 10.273 -12.818 611 HG2 GLU 78 HG2 GLU 78 6.634 11.084 -15.026 612 HG3 GLU 78 HG3 GLU 78 5.711 11.739 -13.675 613 H ASP 79 H ASP 79 9.109 7.601 -13.679 614 HA ASP 79 HA ASP 79 10.414 8.747 -15.971 615 HB2 ASP 79 HB2 ASP 79 11.170 6.838 -13.807 616 HB3 ASP 79 HB3 ASP 79 12.120 6.827 -15.290 617 H ILE 80 H ILE 80 9.286 5.491 -15.085 618 HA ILE 80 HA ILE 80 9.989 4.225 -17.486 619 HB ILE 80 HB ILE 80 9.401 2.960 -15.482 620 HG12 ILE 80 HG12 ILE 80 8.031 1.235 -16.544 621 HG13 ILE 80 HG13 ILE 80 7.490 2.389 -17.759 622 HG21 ILE 80 HG21 ILE 80 7.350 2.970 -14.456 623 HG22 ILE 80 HG22 ILE 80 7.438 4.638 -15.021 624 HG23 ILE 80 HG23 ILE 80 6.496 3.450 -15.922 625 HD11 ILE 80 HD11 ILE 80 10.381 1.681 -17.397 626 HD12 ILE 80 HD12 ILE 80 9.299 0.763 -18.444 627 HD13 ILE 80 HD13 ILE 80 9.605 2.469 -18.771 628 H ARG 81 H ARG 81 7.098 6.000 -16.541 629 HA ARG 81 HA ARG 81 5.605 5.326 -18.883 630 HB2 ARG 81 HB2 ARG 81 3.957 6.830 -18.086 631 HB3 ARG 81 HB3 ARG 81 4.647 6.070 -16.658 632 HG2 ARG 81 HG2 ARG 81 6.010 8.038 -16.244 633 HG3 ARG 81 HG3 ARG 81 5.373 8.799 -17.703 634 HD2 ARG 81 HD2 ARG 81 4.275 9.589 -15.630 635 HD3 ARG 81 HD3 ARG 81 3.155 8.844 -16.771 636 HE ARG 81 HE ARG 81 4.152 6.999 -14.821 637 HH11 ARG 81 HH11 ARG 81 1.774 9.467 -15.434 638 HH12 ARG 81 HH12 ARG 81 0.655 8.864 -14.257 639 HH21 ARG 81 HH21 ARG 81 2.686 6.195 -13.269 640 HH22 ARG 81 HH22 ARG 81 1.175 7.004 -13.025 641 H LEU 82 H LEU 82 7.805 7.895 -17.983 642 HA LEU 82 HA LEU 82 7.188 9.624 -20.159 643 HB2 LEU 82 HB2 LEU 82 8.308 10.292 -18.021 644 HB3 LEU 82 HB3 LEU 82 9.760 9.476 -18.597 645 HG LEU 82 HG LEU 82 9.676 12.001 -18.846 646 HD11 LEU 82 HD11 LEU 82 10.061 10.736 -21.515 647 HD12 LEU 82 HD12 LEU 82 11.072 10.220 -20.165 648 HD13 LEU 82 HD13 LEU 82 11.066 11.911 -20.666 649 HD21 LEU 82 HD21 LEU 82 7.290 11.975 -19.670 650 HD22 LEU 82 HD22 LEU 82 7.917 11.373 -21.205 651 HD23 LEU 82 HD23 LEU 82 8.418 12.955 -20.608 652 H MET 83 H MET 83 9.666 7.155 -19.606 653 HA MET 83 HA MET 83 11.086 7.559 -22.005 654 HB2 MET 83 HB2 MET 83 10.913 5.406 -19.965 655 HB3 MET 83 HB3 MET 83 11.584 4.969 -21.531 656 HG2 MET 83 HG2 MET 83 13.314 5.600 -19.928 657 HG3 MET 83 HG3 MET 83 13.278 6.677 -21.322 658 HE1 MET 83 HE1 MET 83 14.952 7.598 -19.444 659 HE2 MET 83 HE2 MET 83 14.379 9.097 -20.176 660 HE3 MET 83 HE3 MET 83 14.448 8.944 -18.421 661 H VAL 84 H VAL 84 8.616 5.125 -21.171 662 HA VAL 84 HA VAL 84 8.448 3.910 -23.676 663 HB VAL 84 HB VAL 84 7.426 2.911 -21.712 664 HG11 VAL 84 HG11 VAL 84 6.658 5.168 -20.803 665 HG12 VAL 84 HG12 VAL 84 5.242 4.969 -21.838 666 HG13 VAL 84 HG13 VAL 84 5.579 3.794 -20.566 667 HG21 VAL 84 HG21 VAL 84 6.544 2.517 -24.078 668 HG22 VAL 84 HG22 VAL 84 5.508 2.032 -22.736 669 HG23 VAL 84 HG23 VAL 84 5.179 3.529 -23.607 670 H ASN 85 H ASN 85 6.901 6.807 -22.426 671 HA ASN 85 HA ASN 85 4.963 7.184 -24.397 672 HB2 ASN 85 HB2 ASN 85 6.358 8.909 -22.433 673 HB3 ASN 85 HB3 ASN 85 5.604 9.738 -23.792 674 HD21 ASN 85 HD21 ASN 85 4.974 9.597 -20.879 675 HD22 ASN 85 HD22 ASN 85 3.307 9.146 -20.811 676 H ASN 86 H ASN 86 8.347 8.241 -24.291 677 HA ASN 86 HA ASN 86 8.187 9.457 -26.903 678 HB2 ASN 86 HB2 ASN 86 9.720 10.091 -24.864 679 HB3 ASN 86 HB3 ASN 86 10.784 8.858 -25.536 680 HD21 ASN 86 HD21 ASN 86 8.921 11.712 -26.500 681 HD22 ASN 86 HD22 ASN 86 10.083 12.299 -27.636 682 H CYS 87 H CYS 87 8.915 6.360 -25.607 683 HA CYS 87 HA CYS 87 10.630 5.361 -27.598 684 HB2 CYS 87 HB2 CYS 87 8.745 4.091 -25.639 685 HB3 CYS 87 HB3 CYS 87 9.545 3.106 -26.858 686 HG CYS 87 HG CYS 87 11.581 5.116 -25.096 687 H ILE 88 H ILE 88 7.095 5.061 -27.260 688 HA ILE 88 HA ILE 88 6.836 3.895 -29.882 689 HB ILE 88 HB ILE 88 4.433 3.926 -29.469 690 HG12 ILE 88 HG12 ILE 88 4.113 4.709 -26.838 691 HG13 ILE 88 HG13 ILE 88 5.218 5.921 -27.477 692 HG21 ILE 88 HG21 ILE 88 5.275 3.025 -26.824 693 HG22 ILE 88 HG22 ILE 88 4.570 2.118 -28.161 694 HG23 ILE 88 HG23 ILE 88 6.304 2.438 -28.131 695 HD11 ILE 88 HD11 ILE 88 2.483 5.956 -27.671 696 HD12 ILE 88 HD12 ILE 88 3.605 6.914 -28.637 697 HD13 ILE 88 HD13 ILE 88 2.990 5.383 -29.259 698 H LEU 89 H LEU 89 6.529 7.059 -28.445 699 HA LEU 89 HA LEU 89 5.130 8.263 -30.620 700 HB2 LEU 89 HB2 LEU 89 5.101 9.180 -28.346 701 HB3 LEU 89 HB3 LEU 89 6.825 9.526 -28.469 702 HG LEU 89 HG LEU 89 5.391 10.775 -30.633 703 HD11 LEU 89 HD11 LEU 89 4.568 11.771 -27.926 704 HD12 LEU 89 HD12 LEU 89 3.580 10.631 -28.838 705 HD13 LEU 89 HD13 LEU 89 3.938 12.222 -29.510 706 HD21 LEU 89 HD21 LEU 89 6.638 12.313 -28.425 707 HD22 LEU 89 HD22 LEU 89 6.793 12.504 -30.172 708 HD23 LEU 89 HD23 LEU 89 7.673 11.218 -29.345 709 H PHE 90 H PHE 90 8.451 8.894 -29.480 710 HA PHE 90 HA PHE 90 9.340 10.188 -31.768 711 HB2 PHE 90 HB2 PHE 90 10.455 9.825 -29.412 712 HB3 PHE 90 HB3 PHE 90 11.230 8.464 -30.215 713 HD1 PHE 90 HD1 PHE 90 12.019 9.259 -32.756 714 HD2 PHE 90 HD2 PHE 90 11.809 11.655 -29.244 715 HE1 PHE 90 HE1 PHE 90 13.713 10.777 -33.694 716 HE2 PHE 90 HE2 PHE 90 13.502 13.178 -30.178 717 HZ PHE 90 HZ PHE 90 14.457 12.739 -32.405 718 H ASN 91 H ASN 91 10.076 6.813 -30.866 719 HA ASN 91 HA ASN 91 9.453 5.672 -33.328 720 HB2 ASN 91 HB2 ASN 91 12.021 7.039 -33.273 721 HB3 ASN 91 HB3 ASN 91 12.196 5.329 -33.655 722 HD21 ASN 91 HD21 ASN 91 10.310 4.607 -35.217 723 HD22 ASN 91 HD22 ASN 91 10.155 5.598 -36.623 724 H GLY 92 H GLY 92 8.907 3.749 -32.532 725 HA2 GLY 92 HA2 GLY 92 10.897 1.998 -31.456 726 HA3 GLY 92 HA3 GLY 92 9.776 2.547 -30.219 727 H ALA 93 H ALA 93 7.407 2.293 -30.828 728 HA ALA 93 HA ALA 93 7.060 -0.411 -31.899 729 HB1 ALA 93 HB1 ALA 93 5.170 -0.620 -30.590 730 HB2 ALA 93 HB2 ALA 93 6.193 0.413 -29.591 731 HB3 ALA 93 HB3 ALA 93 4.884 1.120 -30.538 732 H GLU 94 H GLU 94 5.101 2.575 -31.933 733 HA GLU 94 HA GLU 94 3.798 3.517 -33.542 734 HB2 GLU 94 HB2 GLU 94 6.259 3.164 -34.665 735 HB3 GLU 94 HB3 GLU 94 5.236 2.304 -35.807 736 HG2 GLU 94 HG2 GLU 94 3.888 4.279 -36.146 737 HG3 GLU 94 HG3 GLU 94 4.813 5.150 -34.924 738 H GLY 95 H GLY 95 3.410 0.632 -32.668 739 HA2 GLY 95 HA2 GLY 95 1.058 0.070 -33.998 740 HA3 GLY 95 HA3 GLY 95 2.313 -0.768 -34.898 741 H ALA 96 H ALA 96 3.895 -1.183 -32.412 742 HA ALA 96 HA ALA 96 2.291 -3.405 -31.332 743 HB1 ALA 96 HB1 ALA 96 4.558 -3.732 -32.630 744 HB2 ALA 96 HB2 ALA 96 5.252 -3.354 -31.053 745 HB3 ALA 96 HB3 ALA 96 4.156 -4.724 -31.228 746 H TYR 97 H TYR 97 1.838 -0.945 -30.222 747 HA TYR 97 HA TYR 97 3.416 -0.102 -28.122 748 HB2 TYR 97 HB2 TYR 97 1.404 0.883 -27.167 749 HB3 TYR 97 HB3 TYR 97 1.399 1.084 -28.915 750 HD1 TYR 97 HD1 TYR 97 -0.101 -0.322 -30.313 751 HD2 TYR 97 HD2 TYR 97 -0.290 -0.375 -26.063 752 HE1 TYR 97 HE1 TYR 97 -2.325 -1.366 -30.431 753 HE2 TYR 97 HE2 TYR 97 -2.514 -1.421 -26.169 754 HH TYR 97 HH TYR 97 -4.143 -1.964 -29.262 755 H ALA 98 H ALA 98 1.348 -2.893 -28.334 756 HA ALA 98 HA ALA 98 0.948 -3.504 -25.658 757 HB1 ALA 98 HB1 ALA 98 1.548 -5.776 -27.449 758 HB2 ALA 98 HB2 ALA 98 0.167 -5.498 -26.387 759 HB3 ALA 98 HB3 ALA 98 0.251 -4.693 -27.954 760 H ASP 99 H ASP 99 3.830 -3.714 -27.575 761 HA ASP 99 HA ASP 99 5.264 -5.549 -25.962 762 HB2 ASP 99 HB2 ASP 99 6.237 -3.387 -27.840 763 HB3 ASP 99 HB3 ASP 99 7.276 -4.605 -27.104 764 H ALA 100 H ALA 100 4.795 -2.077 -25.838 765 HA ALA 100 HA ALA 100 6.784 -1.671 -23.792 766 HB1 ALA 100 HB1 ALA 100 6.566 0.494 -24.281 767 HB2 ALA 100 HB2 ALA 100 5.542 -0.030 -25.618 768 HB3 ALA 100 HB3 ALA 100 4.814 0.450 -24.085 769 H ALA 101 H ALA 101 3.443 -2.498 -23.916 770 HA ALA 101 HA ALA 101 2.734 -1.577 -21.306 771 HB1 ALA 101 HB1 ALA 101 0.965 -1.848 -22.853 772 HB2 ALA 101 HB2 ALA 101 1.436 -3.509 -23.212 773 HB3 ALA 101 HB3 ALA 101 0.753 -3.107 -21.636 774 H ARG 102 H ARG 102 3.992 -4.576 -22.635 775 HA ARG 102 HA ARG 102 3.544 -6.242 -20.423 776 HB2 ARG 102 HB2 ARG 102 4.525 -6.645 -22.897 777 HB3 ARG 102 HB3 ARG 102 6.029 -6.654 -21.986 778 HG2 ARG 102 HG2 ARG 102 3.882 -8.286 -20.832 779 HG3 ARG 102 HG3 ARG 102 4.470 -8.823 -22.407 780 HD2 ARG 102 HD2 ARG 102 6.643 -8.080 -20.645 781 HD3 ARG 102 HD3 ARG 102 5.625 -9.330 -19.931 782 HE ARG 102 HE ARG 102 7.413 -9.624 -22.140 783 HH11 ARG 102 HH11 ARG 102 4.453 -10.800 -20.734 784 HH12 ARG 102 HH12 ARG 102 4.566 -12.360 -21.479 785 HH21 ARG 102 HH21 ARG 102 7.573 -11.675 -23.126 786 HH22 ARG 102 HH22 ARG 102 6.341 -12.857 -22.839 787 H THR 103 H THR 103 6.455 -4.397 -21.329 788 HA THR 103 HA THR 103 7.986 -5.062 -19.080 789 HB THR 103 HB THR 103 9.048 -4.064 -21.002 790 HG1 THR 103 HG1 THR 103 9.303 -2.032 -19.069 791 HG21 THR 103 HG21 THR 103 7.159 -2.624 -21.693 792 HG22 THR 103 HG22 THR 103 8.693 -1.756 -21.658 793 HG23 THR 103 HG23 THR 103 7.526 -1.537 -20.354 794 H PHE 104 H PHE 104 5.662 -2.465 -19.625 795 HA PHE 104 HA PHE 104 6.168 -0.948 -17.334 796 HB2 PHE 104 HB2 PHE 104 4.765 -0.071 -19.087 797 HB3 PHE 104 HB3 PHE 104 3.602 -1.376 -18.873 798 HD1 PHE 104 HD1 PHE 104 5.092 1.562 -17.172 799 HD2 PHE 104 HD2 PHE 104 1.821 -1.151 -17.389 800 HE1 PHE 104 HE1 PHE 104 3.843 2.947 -15.568 801 HE2 PHE 104 HE2 PHE 104 0.565 0.230 -15.785 802 HZ PHE 104 HZ PHE 104 1.576 2.281 -14.872 803 H GLU 105 H GLU 105 3.749 -3.518 -17.830 804 HA GLU 105 HA GLU 105 2.648 -3.562 -15.296 805 HB2 GLU 105 HB2 GLU 105 2.988 -5.598 -17.447 806 HB3 GLU 105 HB3 GLU 105 2.460 -6.151 -15.864 807 HG2 GLU 105 HG2 GLU 105 0.749 -4.147 -16.158 808 HG3 GLU 105 HG3 GLU 105 1.052 -4.481 -17.862 809 H LYS 106 H LYS 106 5.634 -5.018 -16.450 810 HA LYS 106 HA LYS 106 6.189 -6.617 -14.203 811 HB2 LYS 106 HB2 LYS 106 7.446 -5.994 -16.642 812 HB3 LYS 106 HB3 LYS 106 8.600 -5.566 -15.386 813 HG2 LYS 106 HG2 LYS 106 7.273 -8.179 -15.081 814 HG3 LYS 106 HG3 LYS 106 8.386 -8.022 -16.442 815 HD2 LYS 106 HD2 LYS 106 10.213 -7.725 -15.089 816 HD3 LYS 106 HD3 LYS 106 9.261 -7.032 -13.774 817 HE2 LYS 106 HE2 LYS 106 8.507 -9.143 -13.066 818 HE3 LYS 106 HE3 LYS 106 9.004 -9.917 -14.570 819 HZ1 LYS 106 HZ1 LYS 106 11.349 -9.164 -13.826 820 HZ2 LYS 106 HZ2 LYS 106 10.659 -10.541 -13.126 821 HZ3 LYS 106 HZ3 LYS 106 10.655 -9.073 -12.287 822 H PHE 107 H PHE 107 7.107 -3.284 -14.995 823 HA PHE 107 HA PHE 107 8.784 -2.728 -12.877 824 HB2 PHE 107 HB2 PHE 107 7.020 -1.126 -14.632 825 HB3 PHE 107 HB3 PHE 107 7.508 -0.355 -13.126 826 HD1 PHE 107 HD1 PHE 107 8.640 -1.654 -16.348 827 HD2 PHE 107 HD2 PHE 107 9.812 0.235 -12.718 828 HE1 PHE 107 HE1 PHE 107 10.800 -1.054 -17.361 829 HE2 PHE 107 HE2 PHE 107 11.974 0.839 -13.726 830 HZ PHE 107 HZ PHE 107 12.471 0.193 -16.050 831 H ALA 108 H ALA 108 5.247 -2.363 -12.983 832 HA ALA 108 HA ALA 108 4.964 -1.480 -10.318 833 HB1 ALA 108 HB1 ALA 108 2.984 -2.833 -12.145 834 HB2 ALA 108 HB2 ALA 108 2.578 -2.077 -10.604 835 HB3 ALA 108 HB3 ALA 108 3.213 -1.098 -11.926 836 H MET 109 H MET 109 5.013 -4.680 -11.781 837 HA MET 109 HA MET 109 4.063 -6.170 -9.613 838 HB2 MET 109 HB2 MET 109 4.737 -6.824 -12.099 839 HB3 MET 109 HB3 MET 109 6.237 -7.298 -11.313 840 HG2 MET 109 HG2 MET 109 5.310 -9.084 -10.322 841 HG3 MET 109 HG3 MET 109 3.790 -8.251 -10.004 842 HE1 MET 109 HE1 MET 109 1.896 -10.711 -11.716 843 HE2 MET 109 HE2 MET 109 3.410 -11.532 -11.332 844 HE3 MET 109 HE3 MET 109 2.761 -10.320 -10.228 845 H GLY 110 H GLY 110 7.344 -5.099 -10.418 846 HA2 GLY 110 HA2 GLY 110 8.652 -6.468 -8.317 847 HA3 GLY 110 HA3 GLY 110 9.282 -5.076 -9.185 848 H LYS 111 H LYS 111 7.334 -3.185 -8.535 849 HA LYS 111 HA LYS 111 8.269 -2.221 -6.089 850 HB2 LYS 111 HB2 LYS 111 7.017 -1.023 -8.042 851 HB3 LYS 111 HB3 LYS 111 5.569 -1.447 -7.139 852 HG2 LYS 111 HG2 LYS 111 7.705 -0.166 -5.575 853 HG3 LYS 111 HG3 LYS 111 6.944 0.843 -6.806 854 HD2 LYS 111 HD2 LYS 111 5.349 -0.753 -4.817 855 HD3 LYS 111 HD3 LYS 111 5.908 0.888 -4.483 856 HE2 LYS 111 HE2 LYS 111 4.381 1.813 -5.849 857 HE3 LYS 111 HE3 LYS 111 4.577 0.561 -7.075 858 HZ1 LYS 111 HZ1 LYS 111 2.353 0.589 -6.048 859 HZ2 LYS 111 HZ2 LYS 111 3.050 0.210 -4.553 860 HZ3 LYS 111 HZ3 LYS 111 3.150 -0.888 -5.836 861 H ILE 112 H ILE 112 5.601 -4.333 -6.838 862 HA ILE 112 HA ILE 112 4.248 -4.087 -4.348 863 HB ILE 112 HB ILE 112 4.181 -6.343 -6.355 864 HG12 ILE 112 HG12 ILE 112 2.025 -4.295 -5.980 865 HG13 ILE 112 HG13 ILE 112 3.437 -3.898 -6.953 866 HG21 ILE 112 HG21 ILE 112 2.750 -5.861 -3.805 867 HG22 ILE 112 HG22 ILE 112 1.818 -6.520 -5.149 868 HG23 ILE 112 HG23 ILE 112 3.243 -7.376 -4.561 869 HD11 ILE 112 HD11 ILE 112 2.358 -4.804 -8.661 870 HD12 ILE 112 HD12 ILE 112 2.644 -6.370 -7.902 871 HD13 ILE 112 HD13 ILE 112 1.133 -5.509 -7.607 872 H ASP 113 H ASP 113 6.428 -6.583 -5.656 873 HA ASP 113 HA ASP 113 6.525 -8.153 -3.325 874 HB2 ASP 113 HB2 ASP 113 8.512 -7.859 -5.585 875 HB3 ASP 113 HB3 ASP 113 8.626 -9.086 -4.326 876 H ALA 114 H ALA 114 8.806 -5.704 -4.545 877 HA ALA 114 HA ALA 114 10.618 -5.804 -2.426 878 HB1 ALA 114 HB1 ALA 114 11.305 -4.671 -4.365 879 HB2 ALA 114 HB2 ALA 114 9.893 -3.613 -4.347 880 HB3 ALA 114 HB3 ALA 114 11.155 -3.419 -3.131 881 H TYR 115 H TYR 115 7.705 -3.831 -2.851 882 HA TYR 115 HA TYR 115 7.890 -2.137 -0.702 883 HB2 TYR 115 HB2 TYR 115 6.065 -1.889 -2.217 884 HB3 TYR 115 HB3 TYR 115 5.475 -3.512 -1.879 885 HD1 TYR 115 HD1 TYR 115 6.546 -0.902 0.545 886 HD2 TYR 115 HD2 TYR 115 3.310 -3.140 -1.074 887 HE1 TYR 115 HE1 TYR 115 5.058 0.005 2.280 888 HE2 TYR 115 HE2 TYR 115 1.812 -2.238 0.656 889 HH TYR 115 HH TYR 115 1.606 -0.819 2.356 890 H ILE 116 H ILE 116 6.435 -5.390 -0.689 891 HA ILE 116 HA ILE 116 5.796 -5.499 2.021 892 HB ILE 116 HB ILE 116 6.627 -7.797 0.245 893 HG12 ILE 116 HG12 ILE 116 3.875 -6.691 0.849 894 HG13 ILE 116 HG13 ILE 116 4.751 -6.461 -0.661 895 HG21 ILE 116 HG21 ILE 116 6.398 -9.078 2.042 896 HG22 ILE 116 HG22 ILE 116 5.952 -7.681 3.020 897 HG23 ILE 116 HG23 ILE 116 4.710 -8.582 2.151 898 HD11 ILE 116 HD11 ILE 116 3.009 -8.549 0.040 899 HD12 ILE 116 HD12 ILE 116 3.950 -8.365 -1.440 900 HD13 ILE 116 HD13 ILE 116 4.625 -9.247 -0.070 901 H SER 117 H SER 117 8.820 -6.170 0.358 902 HA SER 117 HA SER 117 10.158 -7.346 2.564 903 HB2 SER 117 HB2 SER 117 10.735 -6.921 -0.125 904 HB3 SER 117 HB3 SER 117 11.921 -5.932 0.726 905 HG SER 117 HG SER 117 12.639 -8.091 0.406 906 H GLN 118 H GLN 118 9.414 -4.096 1.714 907 HA GLN 118 HA GLN 118 11.159 -3.130 3.883 908 HB2 GLN 118 HB2 GLN 118 11.168 -0.940 2.705 909 HB3 GLN 118 HB3 GLN 118 11.931 -2.230 1.786 910 HG2 GLN 118 HG2 GLN 118 9.589 -2.472 0.688 911 HG3 GLN 118 HG3 GLN 118 9.342 -0.836 1.297 912 HE21 GLN 118 HE21 GLN 118 12.140 -2.503 -0.108 913 HE22 GLN 118 HE22 GLN 118 12.410 -1.351 -1.367 914 H LYS 119 H LYS 119 9.183 -3.837 5.140 915 HA LYS 119 HA LYS 119 7.084 -1.776 5.077 916 HB2 LYS 119 HB2 LYS 119 7.116 -4.618 6.062 917 HB3 LYS 119 HB3 LYS 119 5.885 -3.483 6.600 918 HG2 LYS 119 HG2 LYS 119 5.566 -3.085 4.031 919 HG3 LYS 119 HG3 LYS 119 6.320 -4.677 3.909 920 HD2 LYS 119 HD2 LYS 119 4.188 -4.465 5.921 921 HD3 LYS 119 HD3 LYS 119 3.658 -4.253 4.251 922 HE2 LYS 119 HE2 LYS 119 4.147 -6.399 3.681 923 HE3 LYS 119 HE3 LYS 119 5.499 -6.506 4.808 924 HZ1 LYS 119 HZ1 LYS 119 3.943 -7.875 5.772 925 HZ2 LYS 119 HZ2 LYS 119 2.629 -6.913 5.312 926 HZ3 LYS 119 HZ3 LYS 119 3.635 -6.420 6.578 927 H VAL 120 H VAL 120 9.057 -3.676 7.352 928 HA VAL 120 HA VAL 120 8.506 -1.742 9.466 929 HB VAL 120 HB VAL 120 10.375 -4.016 9.900 930 HG11 VAL 120 HG11 VAL 120 9.733 -2.359 11.659 931 HG12 VAL 120 HG12 VAL 120 8.085 -2.982 11.563 932 HG13 VAL 120 HG13 VAL 120 9.400 -4.039 12.080 933 HG21 VAL 120 HG21 VAL 120 8.437 -5.535 10.286 934 HG22 VAL 120 HG22 VAL 120 7.403 -4.334 9.512 935 HG23 VAL 120 HG23 VAL 120 8.690 -5.113 8.592 936 H GLY 121 H GLY 121 11.101 -2.797 7.367 937 HA2 GLY 121 HA2 GLY 121 13.352 -1.830 8.593 938 HA3 GLY 121 HA3 GLY 121 13.099 -1.775 6.855 939 H GLY 122 H GLY 122 10.824 0.035 7.017 940 HA2 GLY 122 HA2 GLY 122 10.938 2.346 8.323 941 HA3 GLY 122 HA3 GLY 122 12.354 2.501 7.294 942 H LEU 123 H LEU 123 8.962 1.457 6.923 943 HA LEU 123 HA LEU 123 8.553 3.485 4.890 944 HB2 LEU 123 HB2 LEU 123 9.462 1.168 3.959 945 HB3 LEU 123 HB3 LEU 123 7.757 0.740 4.087 946 HG LEU 123 HG LEU 123 7.410 2.942 2.710 947 HD11 LEU 123 HD11 LEU 123 10.236 2.189 1.980 948 HD12 LEU 123 HD12 LEU 123 9.740 3.663 2.811 949 HD13 LEU 123 HD13 LEU 123 9.229 3.374 1.148 950 HD21 LEU 123 HD21 LEU 123 6.867 1.536 1.063 951 HD22 LEU 123 HD22 LEU 123 7.449 0.254 2.126 952 HD23 LEU 123 HD23 LEU 123 8.521 0.944 0.907 953 H GLU 124 H GLU 124 7.083 0.511 6.207 954 HA GLU 124 HA GLU 124 4.726 2.086 6.947 955 HB2 GLU 124 HB2 GLU 124 3.189 0.566 5.980 956 HB3 GLU 124 HB3 GLU 124 4.377 0.910 4.730 957 HG2 GLU 124 HG2 GLU 124 4.685 -1.262 4.486 958 HG3 GLU 124 HG3 GLU 124 5.346 -1.321 6.119 Start of MODEL 16 1 H1 MET 1 H1 MET 1 1.075 -1.067 -2.296 2 HA MET 1 HA MET 1 -0.369 1.165 -1.083 3 HB2 MET 1 HB2 MET 1 0.293 -1.625 -0.197 4 HB3 MET 1 HB3 MET 1 -0.198 -0.411 0.977 5 HG2 MET 1 HG2 MET 1 -2.160 -0.096 -0.806 6 HG3 MET 1 HG3 MET 1 -1.771 -1.789 -1.106 7 HE1 MET 1 HE1 MET 1 -3.143 0.686 1.979 8 HE2 MET 1 HE2 MET 1 -3.844 0.489 0.372 9 HE3 MET 1 HE3 MET 1 -4.613 -0.267 1.768 10 H SER 2 H SER 2 2.240 1.732 -1.957 11 HA SER 2 HA SER 2 4.214 1.479 0.021 12 HB2 SER 2 HB2 SER 2 4.358 3.959 -1.538 13 HB3 SER 2 HB3 SER 2 5.504 2.623 -1.437 14 HG SER 2 HG SER 2 3.646 3.151 -3.332 15 H GLN 3 H GLN 3 5.181 3.943 0.633 16 HA GLN 3 HA GLN 3 3.038 5.137 2.265 17 HB2 GLN 3 HB2 GLN 3 5.263 3.819 3.209 18 HB3 GLN 3 HB3 GLN 3 5.764 5.503 3.268 19 HG2 GLN 3 HG2 GLN 3 3.504 4.165 4.699 20 HG3 GLN 3 HG3 GLN 3 4.845 5.095 5.364 21 HE21 GLN 3 HE21 GLN 3 4.885 7.414 4.786 22 HE22 GLN 3 HE22 GLN 3 3.377 8.250 4.684 23 H ASN 4 H ASN 4 2.768 7.289 2.154 24 HA ASN 4 HA ASN 4 4.455 8.763 0.290 25 HB2 ASN 4 HB2 ASN 4 2.673 10.550 0.608 26 HB3 ASN 4 HB3 ASN 4 2.136 9.045 -0.135 27 HD21 ASN 4 HD21 ASN 4 0.946 7.555 1.142 28 HD22 ASN 4 HD22 ASN 4 0.050 8.095 2.517 29 H ARG 5 H ARG 5 6.265 8.737 1.841 30 HA ARG 5 HA ARG 5 6.361 11.206 3.293 31 HB2 ARG 5 HB2 ARG 5 5.275 9.782 4.971 32 HB3 ARG 5 HB3 ARG 5 6.584 8.616 4.836 33 HG2 ARG 5 HG2 ARG 5 8.126 10.518 5.543 34 HG3 ARG 5 HG3 ARG 5 6.654 11.375 6.005 35 HD2 ARG 5 HD2 ARG 5 6.776 8.624 6.984 36 HD3 ARG 5 HD3 ARG 5 8.067 9.654 7.602 37 HE ARG 5 HE ARG 5 5.683 11.060 7.866 38 HH11 ARG 5 HH11 ARG 5 7.148 8.156 9.108 39 HH12 ARG 5 HH12 ARG 5 6.308 8.223 10.621 40 HH21 ARG 5 HH21 ARG 5 4.571 11.159 9.855 41 HH22 ARG 5 HH22 ARG 5 4.841 9.931 11.045 42 H GLN 6 H GLN 6 8.117 8.156 3.790 43 HA GLN 6 HA GLN 6 10.463 9.351 2.489 44 HB2 GLN 6 HB2 GLN 6 11.871 8.994 4.269 45 HB3 GLN 6 HB3 GLN 6 10.382 9.381 5.123 46 HG2 GLN 6 HG2 GLN 6 11.492 6.633 4.602 47 HG3 GLN 6 HG3 GLN 6 11.458 7.485 6.145 48 HE21 GLN 6 HE21 GLN 6 10.190 4.951 4.921 49 HE22 GLN 6 HE22 GLN 6 8.547 5.047 5.444 50 H LEU 7 H LEU 7 12.015 7.828 1.700 51 HA LEU 7 HA LEU 7 10.846 5.171 1.209 52 HB2 LEU 7 HB2 LEU 7 12.315 7.086 -0.480 53 HB3 LEU 7 HB3 LEU 7 12.769 5.394 -0.676 54 HG LEU 7 HG LEU 7 10.974 6.407 -2.232 55 HD11 LEU 7 HD11 LEU 7 11.194 4.179 -2.576 56 HD12 LEU 7 HD12 LEU 7 9.601 4.159 -1.821 57 HD13 LEU 7 HD13 LEU 7 11.034 3.783 -0.865 58 HD21 LEU 7 HD21 LEU 7 9.748 7.228 -0.048 59 HD22 LEU 7 HD22 LEU 7 9.045 5.612 -0.111 60 HD23 LEU 7 HD23 LEU 7 8.840 6.716 -1.471 61 H LEU 8 H LEU 8 11.824 3.500 2.125 62 HA LEU 8 HA LEU 8 14.014 3.627 3.792 63 HB2 LEU 8 HB2 LEU 8 12.274 1.748 3.395 64 HB3 LEU 8 HB3 LEU 8 13.438 1.149 2.215 65 HG LEU 8 HG LEU 8 13.597 0.007 4.392 66 HD11 LEU 8 HD11 LEU 8 15.836 -0.221 4.225 67 HD12 LEU 8 HD12 LEU 8 16.129 1.517 4.271 68 HD13 LEU 8 HD13 LEU 8 15.601 0.752 2.772 69 HD21 LEU 8 HD21 LEU 8 14.957 2.124 5.805 70 HD22 LEU 8 HD22 LEU 8 13.625 1.094 6.331 71 HD23 LEU 8 HD23 LEU 8 13.292 2.575 5.432 72 H TYR 9 H TYR 9 14.100 2.014 0.612 73 HA TYR 9 HA TYR 9 16.355 3.376 -0.355 74 HB2 TYR 9 HB2 TYR 9 17.219 1.877 1.653 75 HB3 TYR 9 HB3 TYR 9 17.184 0.616 0.426 76 HD1 TYR 9 HD1 TYR 9 18.196 4.218 0.390 77 HD2 TYR 9 HD2 TYR 9 19.309 0.179 -0.350 78 HE1 TYR 9 HE1 TYR 9 20.380 4.980 -0.446 79 HE2 TYR 9 HE2 TYR 9 21.497 0.929 -1.187 80 HH TYR 9 HH TYR 9 22.355 3.247 -2.276 81 HA PRO 10 HA PRO 10 13.948 0.741 -3.318 82 HB2 PRO 10 HB2 PRO 10 13.489 2.750 -5.086 83 HB3 PRO 10 HB3 PRO 10 12.441 2.433 -3.698 84 HG2 PRO 10 HG2 PRO 10 14.610 4.473 -4.007 85 HG3 PRO 10 HG3 PRO 10 13.000 4.652 -3.286 86 HD2 PRO 10 HD2 PRO 10 15.236 4.321 -1.795 87 HD3 PRO 10 HD3 PRO 10 13.651 3.702 -1.289 88 H ARG 11 H ARG 11 15.274 -0.480 -4.501 89 HA ARG 11 HA ARG 11 16.656 0.434 -6.743 90 HB2 ARG 11 HB2 ARG 11 19.019 -0.028 -5.871 91 HB3 ARG 11 HB3 ARG 11 18.277 1.500 -5.418 92 HG2 ARG 11 HG2 ARG 11 18.126 0.940 -3.226 93 HG3 ARG 11 HG3 ARG 11 17.916 -0.779 -3.565 94 HD2 ARG 11 HD2 ARG 11 20.414 -0.509 -4.434 95 HD3 ARG 11 HD3 ARG 11 20.400 0.819 -3.275 96 HE ARG 11 HE ARG 11 19.356 -1.388 -1.969 97 HH11 ARG 11 HH11 ARG 11 22.358 -0.467 -3.471 98 HH12 ARG 11 HH12 ARG 11 23.331 -1.460 -2.437 99 HH21 ARG 11 HH21 ARG 11 20.625 -2.700 -0.602 100 HH22 ARG 11 HH22 ARG 11 22.344 -2.731 -0.806 101 H GLU 12 H GLU 12 16.440 -1.953 -4.178 102 HA GLU 12 HA GLU 12 17.722 -4.109 -5.340 103 HB2 GLU 12 HB2 GLU 12 16.678 -3.949 -3.022 104 HB3 GLU 12 HB3 GLU 12 15.148 -4.351 -3.789 105 HG2 GLU 12 HG2 GLU 12 16.315 -6.416 -4.691 106 HG3 GLU 12 HG3 GLU 12 17.613 -6.042 -3.560 107 H GLU 13 H GLU 13 14.642 -2.691 -6.117 108 HA GLU 13 HA GLU 13 13.850 -4.923 -7.797 109 HB2 GLU 13 HB2 GLU 13 11.809 -3.712 -8.173 110 HB3 GLU 13 HB3 GLU 13 12.188 -3.633 -6.458 111 HG2 GLU 13 HG2 GLU 13 13.125 -1.377 -6.803 112 HG3 GLU 13 HG3 GLU 13 12.631 -1.461 -8.493 113 H MET 14 H MET 14 15.154 -1.683 -8.118 114 HA MET 14 HA MET 14 14.751 -1.166 -10.793 115 HB2 MET 14 HB2 MET 14 16.634 -0.299 -8.742 116 HB3 MET 14 HB3 MET 14 17.334 -0.266 -10.354 117 HG2 MET 14 HG2 MET 14 16.401 1.736 -10.557 118 HG3 MET 14 HG3 MET 14 14.872 0.879 -10.737 119 HE1 MET 14 HE1 MET 14 13.399 0.613 -7.449 120 HE2 MET 14 HE2 MET 14 12.708 1.822 -8.532 121 HE3 MET 14 HE3 MET 14 13.370 0.325 -9.189 122 H VAL 15 H VAL 15 17.270 -3.154 -9.301 123 HA VAL 15 HA VAL 15 18.679 -3.701 -11.700 124 HB VAL 15 HB VAL 15 19.775 -5.496 -10.458 125 HG11 VAL 15 HG11 VAL 15 19.488 -2.769 -9.376 126 HG12 VAL 15 HG12 VAL 15 20.239 -3.951 -8.302 127 HG13 VAL 15 HG13 VAL 15 20.930 -3.640 -9.895 128 HG21 VAL 15 HG21 VAL 15 18.523 -6.635 -9.001 129 HG22 VAL 15 HG22 VAL 15 18.838 -5.319 -7.870 130 HG23 VAL 15 HG23 VAL 15 17.365 -5.315 -8.840 131 H SER 16 H SER 16 15.897 -5.132 -10.159 132 HA SER 16 HA SER 16 15.857 -7.628 -11.405 133 HB2 SER 16 HB2 SER 16 14.301 -6.545 -9.561 134 HB3 SER 16 HB3 SER 16 13.287 -6.164 -10.953 135 HG SER 16 HG SER 16 12.900 -8.247 -9.885 136 H LEU 17 H LEU 17 14.398 -4.558 -12.449 137 HA LEU 17 HA LEU 17 13.196 -5.468 -14.790 138 HB2 LEU 17 HB2 LEU 17 14.435 -2.766 -14.291 139 HB3 LEU 17 HB3 LEU 17 13.251 -3.149 -15.538 140 HG LEU 17 HG LEU 17 11.838 -2.241 -14.025 141 HD11 LEU 17 HD11 LEU 17 11.335 -4.710 -14.235 142 HD12 LEU 17 HD12 LEU 17 10.647 -3.891 -12.833 143 HD13 LEU 17 HD13 LEU 17 12.080 -4.901 -12.648 144 HD21 LEU 17 HD21 LEU 17 12.529 -2.939 -11.437 145 HD22 LEU 17 HD22 LEU 17 12.840 -1.393 -12.227 146 HD23 LEU 17 HD23 LEU 17 14.077 -2.650 -12.232 147 H VAL 18 H VAL 18 16.244 -3.618 -14.642 148 HA VAL 18 HA VAL 18 17.078 -4.024 -17.234 149 HB VAL 18 HB VAL 18 18.182 -2.509 -15.595 150 HG11 VAL 18 HG11 VAL 18 19.449 -5.059 -14.597 151 HG12 VAL 18 HG12 VAL 18 19.917 -3.424 -14.123 152 HG13 VAL 18 HG13 VAL 18 18.317 -4.040 -13.708 153 HG21 VAL 18 HG21 VAL 18 20.022 -2.434 -16.885 154 HG22 VAL 18 HG22 VAL 18 20.445 -4.114 -16.552 155 HG23 VAL 18 HG23 VAL 18 19.237 -3.735 -17.781 156 H ARG 19 H ARG 19 17.274 -6.203 -14.505 157 HA ARG 19 HA ARG 19 19.102 -8.043 -15.665 158 HB2 ARG 19 HB2 ARG 19 17.260 -8.043 -13.325 159 HB3 ARG 19 HB3 ARG 19 17.833 -9.598 -13.913 160 HG2 ARG 19 HG2 ARG 19 20.082 -9.047 -13.482 161 HG3 ARG 19 HG3 ARG 19 19.698 -7.340 -13.257 162 HD2 ARG 19 HD2 ARG 19 20.097 -8.404 -11.113 163 HD3 ARG 19 HD3 ARG 19 18.410 -7.908 -11.247 164 HE ARG 19 HE ARG 19 18.343 -10.475 -12.068 165 HH11 ARG 19 HH11 ARG 19 19.691 -8.921 -9.260 166 HH12 ARG 19 HH12 ARG 19 19.470 -10.298 -8.231 167 HH21 ARG 19 HH21 ARG 19 18.047 -12.294 -10.724 168 HH22 ARG 19 HH22 ARG 19 18.535 -12.216 -9.065 169 H SER 20 H SER 20 15.594 -7.749 -15.662 170 HA SER 20 HA SER 20 14.979 -10.260 -16.757 171 HB2 SER 20 HB2 SER 20 12.831 -9.516 -16.771 172 HB3 SER 20 HB3 SER 20 13.499 -8.178 -15.836 173 HG SER 20 HG SER 20 13.694 -7.006 -17.776 174 H LEU 21 H LEU 21 15.955 -7.234 -18.237 175 HA LEU 21 HA LEU 21 15.670 -8.409 -20.907 176 HB2 LEU 21 HB2 LEU 21 15.906 -6.199 -21.776 177 HB3 LEU 21 HB3 LEU 21 14.725 -6.161 -20.468 178 HG LEU 21 HG LEU 21 17.274 -5.539 -19.373 179 HD11 LEU 21 HD11 LEU 21 17.175 -3.261 -20.870 180 HD12 LEU 21 HD12 LEU 21 16.846 -4.506 -22.074 181 HD13 LEU 21 HD13 LEU 21 18.317 -4.584 -21.105 182 HD21 LEU 21 HD21 LEU 21 15.483 -4.652 -18.253 183 HD22 LEU 21 HD22 LEU 21 14.627 -4.222 -19.735 184 HD23 LEU 21 HD23 LEU 21 15.994 -3.249 -19.192 185 H ASP 22 H ASP 22 17.434 -8.118 -22.454 186 HA ASP 22 HA ASP 22 20.021 -7.341 -21.839 187 HB2 ASP 22 HB2 ASP 22 19.323 -9.850 -20.628 188 HB3 ASP 22 HB3 ASP 22 20.564 -10.117 -21.849 189 H ARG 23 H ARG 23 19.559 -6.649 -24.008 190 HA ARG 23 HA ARG 23 20.769 -8.245 -25.978 191 HB2 ARG 23 HB2 ARG 23 18.403 -9.302 -25.637 192 HB3 ARG 23 HB3 ARG 23 17.850 -7.917 -26.570 193 HG2 ARG 23 HG2 ARG 23 18.170 -9.818 -28.017 194 HG3 ARG 23 HG3 ARG 23 19.355 -8.567 -28.398 195 HD2 ARG 23 HD2 ARG 23 20.237 -10.929 -28.315 196 HD3 ARG 23 HD3 ARG 23 21.093 -9.753 -27.319 197 HE ARG 23 HE ARG 23 20.386 -10.867 -25.434 198 HH11 ARG 23 HH11 ARG 23 18.666 -12.051 -28.220 199 HH12 ARG 23 HH12 ARG 23 17.967 -13.395 -27.379 200 HH21 ARG 23 HH21 ARG 23 19.471 -12.632 -24.316 201 HH22 ARG 23 HH22 ARG 23 18.425 -13.724 -25.159 202 HA PRO 24 HA PRO 24 20.302 -3.650 -26.698 203 HB2 PRO 24 HB2 PRO 24 22.965 -3.129 -26.769 204 HB3 PRO 24 HB3 PRO 24 22.026 -3.126 -25.272 205 HG2 PRO 24 HG2 PRO 24 23.785 -5.270 -26.399 206 HG3 PRO 24 HG3 PRO 24 23.651 -4.697 -24.727 207 HD2 PRO 24 HD2 PRO 24 22.447 -6.963 -25.591 208 HD3 PRO 24 HD3 PRO 24 21.751 -5.936 -24.321 209 H GLN 25 H GLN 25 19.544 -3.990 -28.787 210 HA GLN 25 HA GLN 25 20.960 -5.203 -30.875 211 HB2 GLN 25 HB2 GLN 25 18.949 -2.979 -31.210 212 HB3 GLN 25 HB3 GLN 25 19.330 -4.264 -32.349 213 HG2 GLN 25 HG2 GLN 25 18.547 -5.592 -30.042 214 HG3 GLN 25 HG3 GLN 25 17.440 -4.226 -30.171 215 HE21 GLN 25 HE21 GLN 25 19.004 -6.367 -32.531 216 HE22 GLN 25 HE22 GLN 25 17.546 -6.833 -33.331 217 H GLU 26 H GLU 26 20.621 -1.754 -30.060 218 HA GLU 26 HA GLU 26 22.472 -0.940 -32.095 219 HB2 GLU 26 HB2 GLU 26 20.693 0.347 -30.189 220 HB3 GLU 26 HB3 GLU 26 22.246 1.164 -30.289 221 HG2 GLU 26 HG2 GLU 26 20.329 0.616 -32.538 222 HG3 GLU 26 HG3 GLU 26 20.749 2.180 -31.842 223 H ASN 27 H ASN 27 22.570 -1.136 -28.548 224 HA ASN 27 HA ASN 27 24.299 -1.107 -27.064 225 HB2 ASN 27 HB2 ASN 27 24.706 -3.242 -28.396 226 HB3 ASN 27 HB3 ASN 27 25.936 -2.342 -29.278 227 HD21 ASN 27 HD21 ASN 27 24.943 -2.860 -25.908 228 HD22 ASN 27 HD22 ASN 27 26.541 -3.113 -25.300 229 H GLY 28 H GLY 28 24.104 1.334 -27.747 230 HA2 GLY 28 HA2 GLY 28 26.791 2.330 -27.833 231 HA3 GLY 28 HA3 GLY 28 25.910 2.668 -29.316 232 H LEU 29 H LEU 29 23.346 3.033 -28.080 233 HA LEU 29 HA LEU 29 23.472 5.000 -26.042 234 HB2 LEU 29 HB2 LEU 29 24.437 6.340 -27.828 235 HB3 LEU 29 HB3 LEU 29 23.056 5.980 -28.863 236 HG LEU 29 HG LEU 29 22.116 7.165 -26.438 237 HD11 LEU 29 HD11 LEU 29 23.172 9.328 -26.541 238 HD12 LEU 29 HD12 LEU 29 24.189 8.807 -27.885 239 HD13 LEU 29 HD13 LEU 29 24.402 8.090 -26.288 240 HD21 LEU 29 HD21 LEU 29 22.148 8.685 -28.973 241 HD22 LEU 29 HD22 LEU 29 20.814 8.332 -27.874 242 HD23 LEU 29 HD23 LEU 29 21.369 7.102 -29.010 243 H PHE 30 H PHE 30 21.721 3.644 -28.776 244 HA PHE 30 HA PHE 30 19.138 4.476 -27.996 245 HB2 PHE 30 HB2 PHE 30 20.291 2.600 -29.947 246 HB3 PHE 30 HB3 PHE 30 18.687 2.156 -29.375 247 HD1 PHE 30 HD1 PHE 30 20.566 5.089 -30.696 248 HD2 PHE 30 HD2 PHE 30 16.841 3.048 -30.421 249 HE1 PHE 30 HE1 PHE 30 19.567 6.708 -32.257 250 HE2 PHE 30 HE2 PHE 30 15.837 4.663 -31.983 251 HZ PHE 30 HZ PHE 30 17.200 6.496 -32.902 252 H SER 31 H SER 31 21.249 2.222 -26.639 253 HA SER 31 HA SER 31 19.269 1.391 -24.723 254 HB2 SER 31 HB2 SER 31 19.028 -0.199 -26.711 255 HB3 SER 31 HB3 SER 31 20.629 -0.805 -26.285 256 HG SER 31 HG SER 31 18.207 -1.230 -25.070 257 H GLN 32 H GLN 32 21.722 2.854 -24.643 258 HA GLN 32 HA GLN 32 23.017 1.440 -22.511 259 HB2 GLN 32 HB2 GLN 32 24.032 0.975 -25.059 260 HB3 GLN 32 HB3 GLN 32 25.099 2.204 -24.391 261 HG2 GLN 32 HG2 GLN 32 26.039 0.088 -23.887 262 HG3 GLN 32 HG3 GLN 32 25.394 0.752 -22.387 263 HE21 GLN 32 HE21 GLN 32 24.268 -1.216 -25.121 264 HE22 GLN 32 HE22 GLN 32 23.435 -2.383 -24.157 265 H ASP 33 H ASP 33 25.156 2.791 -21.946 266 HA ASP 33 HA ASP 33 24.287 5.601 -21.902 267 HB2 ASP 33 HB2 ASP 33 25.894 3.946 -19.966 268 HB3 ASP 33 HB3 ASP 33 25.914 5.707 -19.910 269 H VAL 34 H VAL 34 25.372 6.935 -23.176 270 HA VAL 34 HA VAL 34 27.615 6.305 -24.675 271 HB VAL 34 HB VAL 34 26.115 8.218 -25.144 272 HG11 VAL 34 HG11 VAL 34 26.042 10.146 -23.894 273 HG12 VAL 34 HG12 VAL 34 26.263 8.934 -22.630 274 HG13 VAL 34 HG13 VAL 34 27.640 9.883 -23.195 275 HG21 VAL 34 HG21 VAL 34 27.747 8.922 -26.476 276 HG22 VAL 34 HG22 VAL 34 28.516 9.755 -25.125 277 HG23 VAL 34 HG23 VAL 34 28.919 8.073 -25.468 278 H LEU 35 H LEU 35 27.387 7.622 -21.438 279 HA LEU 35 HA LEU 35 30.014 8.533 -21.126 280 HB2 LEU 35 HB2 LEU 35 27.830 8.570 -19.579 281 HB3 LEU 35 HB3 LEU 35 28.699 7.244 -18.809 282 HG LEU 35 HG LEU 35 29.076 9.409 -17.700 283 HD11 LEU 35 HD11 LEU 35 31.303 9.029 -17.278 284 HD12 LEU 35 HD12 LEU 35 31.675 8.674 -18.965 285 HD13 LEU 35 HD13 LEU 35 30.820 7.485 -17.981 286 HD21 LEU 35 HD21 LEU 35 29.359 11.247 -18.907 287 HD22 LEU 35 HD22 LEU 35 29.434 10.296 -20.391 288 HD23 LEU 35 HD23 LEU 35 30.907 10.617 -19.474 289 H LEU 36 H LEU 36 28.730 5.340 -21.262 290 HA LEU 36 HA LEU 36 31.147 4.170 -20.109 291 HB2 LEU 36 HB2 LEU 36 28.488 3.054 -20.939 292 HB3 LEU 36 HB3 LEU 36 29.862 2.005 -20.595 293 HG LEU 36 HG LEU 36 29.941 3.072 -18.304 294 HD11 LEU 36 HD11 LEU 36 27.819 4.621 -19.489 295 HD12 LEU 36 HD12 LEU 36 28.680 4.868 -17.971 296 HD13 LEU 36 HD13 LEU 36 27.271 3.809 -18.023 297 HD21 LEU 36 HD21 LEU 36 27.321 1.698 -18.771 298 HD22 LEU 36 HD22 LEU 36 28.449 1.523 -17.427 299 HD23 LEU 36 HD23 LEU 36 28.846 0.842 -19.005 300 H GLN 37 H GLN 37 31.194 5.598 -22.667 301 HA GLN 37 HA GLN 37 31.847 3.393 -24.502 302 HB2 GLN 37 HB2 GLN 37 31.316 6.307 -25.109 303 HB3 GLN 37 HB3 GLN 37 31.700 5.073 -26.301 304 HG2 GLN 37 HG2 GLN 37 29.274 5.072 -24.519 305 HG3 GLN 37 HG3 GLN 37 29.306 5.584 -26.206 306 HE21 GLN 37 HE21 GLN 37 27.661 3.550 -25.194 307 HE22 GLN 37 HE22 GLN 37 28.135 2.057 -25.922 308 H TYR 38 H TYR 38 32.991 6.751 -24.305 309 HA TYR 38 HA TYR 38 35.645 5.991 -23.540 310 HB2 TYR 38 HB2 TYR 38 34.981 6.476 -26.404 311 HB3 TYR 38 HB3 TYR 38 36.497 7.129 -25.793 312 HD1 TYR 38 HD1 TYR 38 37.496 5.124 -23.994 313 HD2 TYR 38 HD2 TYR 38 35.436 4.605 -27.680 314 HE1 TYR 38 HE1 TYR 38 38.560 2.924 -24.272 315 HE2 TYR 38 HE2 TYR 38 36.494 2.403 -27.968 316 HH TYR 38 HH TYR 38 39.124 1.371 -26.111 317 HA PRO 39 HA PRO 39 35.799 10.178 -22.238 318 HB2 PRO 39 HB2 PRO 39 38.455 10.711 -22.415 319 HB3 PRO 39 HB3 PRO 39 37.767 9.658 -21.173 320 HG2 PRO 39 HG2 PRO 39 39.116 8.924 -23.743 321 HG3 PRO 39 HG3 PRO 39 39.302 8.200 -22.135 322 HD2 PRO 39 HD2 PRO 39 37.768 7.084 -24.066 323 HD3 PRO 39 HD3 PRO 39 37.381 6.944 -22.339 324 H GLU 40 H GLU 40 34.628 10.666 -24.369 325 HA GLU 40 HA GLU 40 35.923 12.887 -25.599 326 HB2 GLU 40 HB2 GLU 40 35.739 11.965 -27.946 327 HB3 GLU 40 HB3 GLU 40 37.040 11.303 -26.967 328 HG2 GLU 40 HG2 GLU 40 34.950 9.586 -26.471 329 HG3 GLU 40 HG3 GLU 40 34.756 9.982 -28.178 330 H LEU 41 H LEU 41 33.298 10.534 -25.712 331 HA LEU 41 HA LEU 41 31.501 12.546 -26.844 332 HB2 LEU 41 HB2 LEU 41 29.880 10.604 -26.881 333 HB3 LEU 41 HB3 LEU 41 31.280 10.491 -27.946 334 HG LEU 41 HG LEU 41 30.509 8.403 -26.623 335 HD11 LEU 41 HD11 LEU 41 32.973 9.282 -27.630 336 HD12 LEU 41 HD12 LEU 41 32.460 7.622 -27.330 337 HD13 LEU 41 HD13 LEU 41 33.322 8.517 -26.079 338 HD21 LEU 41 HD21 LEU 41 32.134 9.798 -24.499 339 HD22 LEU 41 HD22 LEU 41 31.465 8.168 -24.419 340 HD23 LEU 41 HD23 LEU 41 30.386 9.563 -24.446 341 H ALA 42 H ALA 42 32.601 12.044 -23.917 342 HA ALA 42 HA ALA 42 30.489 11.515 -22.207 343 HB1 ALA 42 HB1 ALA 42 32.966 13.164 -21.945 344 HB2 ALA 42 HB2 ALA 42 31.772 13.152 -20.647 345 HB3 ALA 42 HB3 ALA 42 32.538 11.647 -21.153 346 H GLU 43 H GLU 43 31.135 14.347 -24.108 347 HA GLU 43 HA GLU 43 29.577 16.217 -22.700 348 HB2 GLU 43 HB2 GLU 43 31.233 16.518 -24.705 349 HB3 GLU 43 HB3 GLU 43 29.795 16.281 -25.688 350 HG2 GLU 43 HG2 GLU 43 28.719 18.169 -24.582 351 HG3 GLU 43 HG3 GLU 43 30.152 18.403 -23.583 352 H SER 44 H SER 44 28.742 13.691 -24.955 353 HA SER 44 HA SER 44 26.090 14.622 -25.483 354 HB2 SER 44 HB2 SER 44 25.854 12.748 -26.824 355 HB3 SER 44 HB3 SER 44 27.607 12.935 -26.823 356 HG SER 44 HG SER 44 27.470 11.446 -24.912 357 H TYR 45 H TYR 45 27.584 12.665 -23.034 358 HA TYR 45 HA TYR 45 25.472 11.183 -22.062 359 HB2 TYR 45 HB2 TYR 45 27.737 10.951 -21.195 360 HB3 TYR 45 HB3 TYR 45 27.660 12.563 -20.493 361 HD1 TYR 45 HD1 TYR 45 25.394 9.584 -20.445 362 HD2 TYR 45 HD2 TYR 45 27.552 12.479 -18.195 363 HE1 TYR 45 HE1 TYR 45 24.496 8.627 -18.364 364 HE2 TYR 45 HE2 TYR 45 26.662 11.530 -16.108 365 HH TYR 45 HH TYR 45 25.623 9.685 -15.220 366 H THR 46 H THR 46 26.469 14.383 -20.835 367 HA THR 46 HA THR 46 24.349 14.830 -19.123 368 HB THR 46 HB THR 46 26.176 16.343 -19.033 369 HG1 THR 46 HG1 THR 46 24.238 18.015 -20.207 370 HG21 THR 46 HG21 THR 46 26.893 16.152 -21.374 371 HG22 THR 46 HG22 THR 46 26.787 17.837 -20.867 372 HG23 THR 46 HG23 THR 46 25.518 17.137 -21.873 373 H LYS 47 H LYS 47 24.575 15.526 -22.587 374 HA LYS 47 HA LYS 47 22.187 16.915 -22.915 375 HB2 LYS 47 HB2 LYS 47 23.766 16.817 -24.716 376 HB3 LYS 47 HB3 LYS 47 23.662 15.063 -24.789 377 HG2 LYS 47 HG2 LYS 47 21.161 16.590 -25.217 378 HG3 LYS 47 HG3 LYS 47 22.381 16.642 -26.491 379 HD2 LYS 47 HD2 LYS 47 22.058 14.483 -27.062 380 HD3 LYS 47 HD3 LYS 47 21.831 13.969 -25.389 381 HE2 LYS 47 HE2 LYS 47 19.632 13.921 -25.689 382 HE3 LYS 47 HE3 LYS 47 19.641 15.629 -26.124 383 HZ1 LYS 47 HZ1 LYS 47 18.684 14.220 -27.864 384 HZ2 LYS 47 HZ2 LYS 47 20.153 13.395 -28.012 385 HZ3 LYS 47 HZ3 LYS 47 20.062 15.037 -28.407 386 H VAL 48 H VAL 48 22.765 13.526 -22.423 387 HA VAL 48 HA VAL 48 19.867 13.036 -22.654 388 HB VAL 48 HB VAL 48 21.266 11.918 -24.440 389 HG11 VAL 48 HG11 VAL 48 22.085 9.969 -22.322 390 HG12 VAL 48 HG12 VAL 48 22.737 10.194 -23.946 391 HG13 VAL 48 HG13 VAL 48 23.088 11.373 -22.682 392 HG21 VAL 48 HG21 VAL 48 20.167 9.571 -23.263 393 HG22 VAL 48 HG22 VAL 48 19.118 10.936 -22.880 394 HG23 VAL 48 HG23 VAL 48 19.508 10.567 -24.560 395 H CYS 49 H CYS 49 21.451 13.840 -20.323 396 HA CYS 49 HA CYS 49 22.237 11.970 -18.550 397 HB2 CYS 49 HB2 CYS 49 21.082 14.605 -18.364 398 HB3 CYS 49 HB3 CYS 49 20.509 13.602 -17.037 399 HG CYS 49 HG CYS 49 22.595 13.922 -15.592 400 HA PRO 50 HA PRO 50 17.732 10.895 -17.191 401 HB2 PRO 50 HB2 PRO 50 15.700 11.883 -18.695 402 HB3 PRO 50 HB3 PRO 50 16.382 12.749 -17.313 403 HG2 PRO 50 HG2 PRO 50 16.926 13.115 -20.234 404 HG3 PRO 50 HG3 PRO 50 16.682 14.344 -18.979 405 HD2 PRO 50 HD2 PRO 50 19.139 13.650 -19.879 406 HD3 PRO 50 HD3 PRO 50 18.846 14.166 -18.206 407 H ASN 51 H ASN 51 18.731 8.985 -18.188 408 HA ASN 51 HA ASN 51 18.535 8.111 -20.764 409 HB2 ASN 51 HB2 ASN 51 18.471 6.699 -18.132 410 HB3 ASN 51 HB3 ASN 51 18.140 5.769 -19.591 411 HD21 ASN 51 HD21 ASN 51 19.780 6.451 -21.426 412 HD22 ASN 51 HD22 ASN 51 21.436 6.373 -20.941 413 H ARG 52 H ARG 52 16.969 7.519 -22.131 414 HA ARG 52 HA ARG 52 14.262 7.106 -21.043 415 HB2 ARG 52 HB2 ARG 52 14.631 9.301 -22.266 416 HB3 ARG 52 HB3 ARG 52 14.862 8.348 -23.725 417 HG2 ARG 52 HG2 ARG 52 12.476 7.422 -22.611 418 HG3 ARG 52 HG3 ARG 52 12.427 9.179 -22.450 419 HD2 ARG 52 HD2 ARG 52 11.721 9.186 -24.571 420 HD3 ARG 52 HD3 ARG 52 13.397 8.837 -24.992 421 HE ARG 52 HE ARG 52 11.797 6.507 -24.420 422 HH11 ARG 52 HH11 ARG 52 12.876 8.744 -26.860 423 HH12 ARG 52 HH12 ARG 52 12.607 7.645 -28.172 424 HH21 ARG 52 HH21 ARG 52 11.439 5.051 -26.140 425 HH22 ARG 52 HH22 ARG 52 11.789 5.545 -27.761 426 H CYS 53 H CYS 53 16.386 5.173 -21.733 427 HA CYS 53 HA CYS 53 15.286 3.842 -24.091 428 HB2 CYS 53 HB2 CYS 53 17.726 3.235 -22.409 429 HB3 CYS 53 HB3 CYS 53 17.225 2.296 -23.810 430 HG CYS 53 HG CYS 53 17.329 4.872 -25.347 431 H ASP 54 H ASP 54 16.559 2.447 -21.087 432 HA ASP 54 HA ASP 54 14.170 1.506 -20.016 433 HB2 ASP 54 HB2 ASP 54 15.160 -0.055 -22.280 434 HB3 ASP 54 HB3 ASP 54 14.953 -1.021 -20.822 435 H LEU 55 H LEU 55 17.048 -0.462 -20.671 436 HA LEU 55 HA LEU 55 17.433 -1.095 -17.941 437 HB2 LEU 55 HB2 LEU 55 19.753 -1.826 -18.862 438 HB3 LEU 55 HB3 LEU 55 18.297 -2.699 -19.334 439 HG LEU 55 HG LEU 55 18.279 -1.558 -21.478 440 HD11 LEU 55 HD11 LEU 55 19.136 0.537 -21.320 441 HD12 LEU 55 HD12 LEU 55 20.577 -0.291 -21.910 442 HD13 LEU 55 HD13 LEU 55 20.402 0.057 -20.190 443 HD21 LEU 55 HD21 LEU 55 19.596 -3.175 -22.231 444 HD22 LEU 55 HD22 LEU 55 20.216 -3.410 -20.596 445 HD23 LEU 55 HD23 LEU 55 21.028 -2.295 -21.695 446 H ALA 56 H ALA 56 18.322 1.609 -19.818 447 HA ALA 56 HA ALA 56 20.538 2.369 -18.091 448 HB1 ALA 56 HB1 ALA 56 20.562 2.749 -20.572 449 HB2 ALA 56 HB2 ALA 56 19.322 3.979 -20.326 450 HB3 ALA 56 HB3 ALA 56 20.914 4.173 -19.593 451 H THR 57 H THR 57 17.162 3.065 -18.544 452 HA THR 57 HA THR 57 17.137 5.503 -17.046 453 HB THR 57 HB THR 57 14.807 3.670 -17.636 454 HG1 THR 57 HG1 THR 57 15.763 4.293 -19.582 455 HG21 THR 57 HG21 THR 57 13.487 5.219 -16.710 456 HG22 THR 57 HG22 THR 57 14.310 6.529 -17.555 457 HG23 THR 57 HG23 THR 57 14.951 5.926 -16.027 458 H ALA 58 H ALA 58 16.379 2.118 -16.328 459 HA ALA 58 HA ALA 58 15.617 2.660 -13.615 460 HB1 ALA 58 HB1 ALA 58 15.638 0.179 -13.392 461 HB2 ALA 58 HB2 ALA 58 14.626 0.776 -14.708 462 HB3 ALA 58 HB3 ALA 58 16.209 0.083 -15.058 463 H ALA 59 H ALA 59 18.467 1.230 -15.185 464 HA ALA 59 HA ALA 59 19.920 0.641 -12.871 465 HB1 ALA 59 HB1 ALA 59 20.494 -0.189 -15.116 466 HB2 ALA 59 HB2 ALA 59 21.020 1.433 -15.565 467 HB3 ALA 59 HB3 ALA 59 21.873 0.549 -14.300 468 H ASP 60 H ASP 60 19.794 3.594 -14.821 469 HA ASP 60 HA ASP 60 21.810 4.995 -13.429 470 HB2 ASP 60 HB2 ASP 60 21.155 5.786 -15.589 471 HB3 ASP 60 HB3 ASP 60 19.474 5.944 -15.089 472 H ARG 61 H ARG 61 18.308 4.797 -12.988 473 HA ARG 61 HA ARG 61 17.956 6.779 -11.084 474 HB2 ARG 61 HB2 ARG 61 16.461 4.545 -12.087 475 HB3 ARG 61 HB3 ARG 61 16.294 4.614 -10.338 476 HG2 ARG 61 HG2 ARG 61 14.520 5.849 -11.460 477 HG3 ARG 61 HG3 ARG 61 15.531 6.917 -10.484 478 HD2 ARG 61 HD2 ARG 61 16.352 6.577 -13.295 479 HD3 ARG 61 HD3 ARG 61 14.827 7.425 -13.037 480 HE ARG 61 HE ARG 61 17.472 8.374 -12.409 481 HH11 ARG 61 HH11 ARG 61 14.069 8.678 -11.741 482 HH12 ARG 61 HH12 ARG 61 14.197 10.303 -11.153 483 HH21 ARG 61 HH21 ARG 61 17.654 10.513 -11.637 484 HH22 ARG 61 HH22 ARG 61 16.236 11.346 -11.095 485 H ALA 62 H ALA 62 19.050 3.448 -10.679 486 HA ALA 62 HA ALA 62 19.200 3.700 -7.800 487 HB1 ALA 62 HB1 ALA 62 19.470 1.536 -9.765 488 HB2 ALA 62 HB2 ALA 62 20.524 1.398 -8.357 489 HB3 ALA 62 HB3 ALA 62 18.777 1.520 -8.142 490 H ALA 63 H ALA 63 21.475 3.434 -10.513 491 HA ALA 63 HA ALA 63 23.853 3.425 -9.065 492 HB1 ALA 63 HB1 ALA 63 23.737 2.944 -11.457 493 HB2 ALA 63 HB2 ALA 63 23.351 4.634 -11.782 494 HB3 ALA 63 HB3 ALA 63 24.925 4.202 -11.114 495 H LYS 64 H LYS 64 21.754 6.080 -9.979 496 HA LYS 64 HA LYS 64 23.517 8.205 -9.436 497 HB2 LYS 64 HB2 LYS 64 20.522 7.964 -9.503 498 HB3 LYS 64 HB3 LYS 64 21.294 9.472 -9.030 499 HG2 LYS 64 HG2 LYS 64 22.112 8.165 -11.578 500 HG3 LYS 64 HG3 LYS 64 20.586 9.049 -11.508 501 HD2 LYS 64 HD2 LYS 64 21.831 10.853 -11.981 502 HD3 LYS 64 HD3 LYS 64 22.312 10.783 -10.284 503 HE2 LYS 64 HE2 LYS 64 24.253 9.424 -10.894 504 HE3 LYS 64 HE3 LYS 64 23.768 9.486 -12.587 505 HZ1 LYS 64 HZ1 LYS 64 24.707 11.720 -10.885 506 HZ2 LYS 64 HZ2 LYS 64 23.944 11.970 -12.374 507 HZ3 LYS 64 HZ3 LYS 64 25.409 11.127 -12.305 508 H GLY 65 H GLY 65 21.972 5.995 -7.359 509 HA2 GLY 65 HA2 GLY 65 22.931 6.042 -5.059 510 HA3 GLY 65 HA3 GLY 65 22.529 7.753 -5.048 511 H ALA 66 H ALA 66 20.242 5.795 -6.633 512 HA ALA 66 HA ALA 66 18.053 5.351 -6.170 513 HB1 ALA 66 HB1 ALA 66 17.646 4.106 -4.092 514 HB2 ALA 66 HB2 ALA 66 19.078 3.525 -4.944 515 HB3 ALA 66 HB3 ALA 66 19.255 4.552 -3.522 516 H TYR 67 H TYR 67 17.945 7.834 -6.237 517 HA TYR 67 HA TYR 67 17.761 9.460 -4.026 518 HB2 TYR 67 HB2 TYR 67 16.841 9.544 -6.774 519 HB3 TYR 67 HB3 TYR 67 15.693 10.330 -5.696 520 HD1 TYR 67 HD1 TYR 67 19.429 10.170 -5.717 521 HD2 TYR 67 HD2 TYR 67 15.952 12.619 -5.851 522 HE1 TYR 67 HE1 TYR 67 20.849 12.178 -5.679 523 HE2 TYR 67 HE2 TYR 67 17.362 14.633 -5.815 524 HH TYR 67 HH TYR 67 20.888 14.411 -5.930 525 H GLY 68 H GLY 68 16.747 8.857 -2.201 526 HA2 GLY 68 HA2 GLY 68 14.307 7.368 -2.179 527 HA3 GLY 68 HA3 GLY 68 15.094 8.097 -0.787 528 H TYR 69 H TYR 69 13.071 8.768 0.029 529 HA TYR 69 HA TYR 69 11.327 10.194 0.352 530 HB2 TYR 69 HB2 TYR 69 13.464 11.820 -0.885 531 HB3 TYR 69 HB3 TYR 69 11.853 12.528 -0.921 532 HD1 TYR 69 HD1 TYR 69 10.626 11.912 1.552 533 HD2 TYR 69 HD2 TYR 69 14.732 12.738 0.803 534 HE1 TYR 69 HE1 TYR 69 10.896 12.653 3.881 535 HE2 TYR 69 HE2 TYR 69 15.014 13.480 3.130 536 HH TYR 69 HH TYR 69 12.271 13.779 5.308 537 H ASP 70 H ASP 70 9.825 8.971 -0.839 538 HA ASP 70 HA ASP 70 8.971 10.278 -3.319 539 HB2 ASP 70 HB2 ASP 70 10.267 7.862 -3.391 540 HB3 ASP 70 HB3 ASP 70 8.578 7.366 -3.328 541 H VAL 71 H VAL 71 6.924 10.877 -3.144 542 HA VAL 71 HA VAL 71 5.280 10.223 -0.968 543 HB VAL 71 HB VAL 71 5.037 12.264 -2.383 544 HG11 VAL 71 HG11 VAL 71 4.350 12.235 -4.537 545 HG12 VAL 71 HG12 VAL 71 5.051 10.616 -4.503 546 HG13 VAL 71 HG13 VAL 71 3.312 10.830 -4.302 547 HG21 VAL 71 HG21 VAL 71 3.283 11.771 -0.852 548 HG22 VAL 71 HG22 VAL 71 2.522 12.226 -2.377 549 HG23 VAL 71 HG23 VAL 71 2.621 10.528 -1.912 550 H GLN 72 H GLN 72 5.785 8.654 -4.013 551 HA GLN 72 HA GLN 72 4.458 6.303 -3.235 552 HB2 GLN 72 HB2 GLN 72 2.553 8.024 -3.805 553 HB3 GLN 72 HB3 GLN 72 2.951 7.606 -5.466 554 HG2 GLN 72 HG2 GLN 72 1.104 6.268 -4.652 555 HG3 GLN 72 HG3 GLN 72 2.508 5.259 -4.993 556 HE21 GLN 72 HE21 GLN 72 1.737 7.286 -2.198 557 HE22 GLN 72 HE22 GLN 72 1.797 6.010 -1.035 558 H LEU 73 H LEU 73 6.944 6.819 -4.262 559 HA LEU 73 HA LEU 73 8.432 6.239 -5.887 560 HB2 LEU 73 HB2 LEU 73 6.287 4.237 -6.579 561 HB3 LEU 73 HB3 LEU 73 7.988 4.138 -7.030 562 HG LEU 73 HG LEU 73 7.828 2.649 -5.265 563 HD11 LEU 73 HD11 LEU 73 9.417 4.767 -4.957 564 HD12 LEU 73 HD12 LEU 73 9.326 3.463 -3.773 565 HD13 LEU 73 HD13 LEU 73 8.425 4.956 -3.510 566 HD21 LEU 73 HD21 LEU 73 5.470 3.516 -4.700 567 HD22 LEU 73 HD22 LEU 73 6.293 4.562 -3.543 568 HD23 LEU 73 HD23 LEU 73 6.438 2.810 -3.405 569 H THR 74 H THR 74 6.810 8.405 -6.585 570 HA THR 74 HA THR 74 5.717 8.108 -9.202 571 HB THR 74 HB THR 74 6.575 10.645 -7.796 572 HG1 THR 74 HG1 THR 74 4.181 10.690 -7.444 573 HG21 THR 74 HG21 THR 74 6.297 11.134 -10.097 574 HG22 THR 74 HG22 THR 74 4.798 11.633 -9.314 575 HG23 THR 74 HG23 THR 74 4.861 10.118 -10.215 576 H THR 75 H THR 75 8.886 8.565 -7.977 577 HA THR 75 HA THR 75 10.078 9.925 -10.138 578 HB THR 75 HB THR 75 12.218 9.039 -9.305 579 HG1 THR 75 HG1 THR 75 11.856 7.018 -8.591 580 HG21 THR 75 HG21 THR 75 10.235 10.117 -7.323 581 HG22 THR 75 HG22 THR 75 11.539 10.963 -8.154 582 HG23 THR 75 HG23 THR 75 11.912 9.812 -6.870 583 H LEU 76 H LEU 76 9.877 6.445 -9.407 584 HA LEU 76 HA LEU 76 11.092 5.697 -11.895 585 HB2 LEU 76 HB2 LEU 76 10.841 4.454 -9.533 586 HB3 LEU 76 HB3 LEU 76 9.478 3.731 -10.385 587 HG LEU 76 HG LEU 76 11.392 3.347 -12.222 588 HD11 LEU 76 HD11 LEU 76 13.379 2.486 -10.829 589 HD12 LEU 76 HD12 LEU 76 12.783 3.579 -9.580 590 HD13 LEU 76 HD13 LEU 76 13.263 4.216 -11.153 591 HD21 LEU 76 HD21 LEU 76 11.050 1.534 -9.841 592 HD22 LEU 76 HD22 LEU 76 11.475 1.081 -11.492 593 HD23 LEU 76 HD23 LEU 76 9.859 1.692 -11.134 594 H LYS 77 H LYS 77 7.832 6.077 -10.688 595 HA LYS 77 HA LYS 77 6.534 4.736 -12.841 596 HB2 LYS 77 HB2 LYS 77 5.751 5.751 -10.393 597 HB3 LYS 77 HB3 LYS 77 4.977 6.840 -11.537 598 HG2 LYS 77 HG2 LYS 77 3.446 5.090 -11.035 599 HG3 LYS 77 HG3 LYS 77 4.023 4.845 -12.685 600 HD2 LYS 77 HD2 LYS 77 3.980 2.726 -11.530 601 HD3 LYS 77 HD3 LYS 77 5.656 3.194 -11.826 602 HE2 LYS 77 HE2 LYS 77 4.683 4.196 -9.287 603 HE3 LYS 77 HE3 LYS 77 4.541 2.442 -9.397 604 HZ1 LYS 77 HZ1 LYS 77 6.972 2.669 -10.295 605 HZ2 LYS 77 HZ2 LYS 77 6.662 2.649 -8.632 606 HZ3 LYS 77 HZ3 LYS 77 6.944 4.117 -9.422 607 H GLU 78 H GLU 78 7.629 8.011 -12.282 608 HA GLU 78 HA GLU 78 6.206 9.157 -14.486 609 HB2 GLU 78 HB2 GLU 78 6.867 10.553 -12.615 610 HB3 GLU 78 HB3 GLU 78 8.561 10.170 -12.886 611 HG2 GLU 78 HG2 GLU 78 8.773 11.672 -14.533 612 HG3 GLU 78 HG3 GLU 78 7.181 11.320 -15.201 613 H ASP 79 H ASP 79 9.387 7.761 -14.002 614 HA ASP 79 HA ASP 79 10.516 8.627 -16.456 615 HB2 ASP 79 HB2 ASP 79 11.348 7.102 -14.199 616 HB3 ASP 79 HB3 ASP 79 11.688 6.156 -15.645 617 H ILE 80 H ILE 80 9.022 5.559 -15.455 618 HA ILE 80 HA ILE 80 9.315 4.175 -17.853 619 HB ILE 80 HB ILE 80 7.418 3.964 -15.565 620 HG12 ILE 80 HG12 ILE 80 9.683 2.943 -15.523 621 HG13 ILE 80 HG13 ILE 80 8.397 1.752 -15.366 622 HG21 ILE 80 HG21 ILE 80 5.865 3.551 -17.275 623 HG22 ILE 80 HG22 ILE 80 7.040 2.664 -18.244 624 HG23 ILE 80 HG23 ILE 80 6.407 1.954 -16.759 625 HD11 ILE 80 HD11 ILE 80 10.522 1.694 -17.139 626 HD12 ILE 80 HD12 ILE 80 9.090 0.665 -17.165 627 HD13 ILE 80 HD13 ILE 80 9.132 2.143 -18.127 628 H ARG 81 H ARG 81 6.595 6.185 -16.746 629 HA ARG 81 HA ARG 81 5.025 5.864 -19.066 630 HB2 ARG 81 HB2 ARG 81 3.737 7.758 -18.248 631 HB3 ARG 81 HB3 ARG 81 4.127 6.674 -16.920 632 HG2 ARG 81 HG2 ARG 81 5.881 8.155 -16.173 633 HG3 ARG 81 HG3 ARG 81 5.611 9.214 -17.560 634 HD2 ARG 81 HD2 ARG 81 4.482 10.259 -15.796 635 HD3 ARG 81 HD3 ARG 81 3.216 9.431 -16.702 636 HE ARG 81 HE ARG 81 4.024 7.668 -14.743 637 HH11 ARG 81 HH11 ARG 81 2.663 10.870 -14.872 638 HH12 ARG 81 HH12 ARG 81 1.833 10.720 -13.359 639 HH21 ARG 81 HH21 ARG 81 2.936 7.458 -12.749 640 HH22 ARG 81 HH22 ARG 81 1.990 8.779 -12.152 641 H LEU 82 H LEU 82 7.618 8.063 -18.239 642 HA LEU 82 HA LEU 82 7.201 9.894 -20.372 643 HB2 LEU 82 HB2 LEU 82 8.532 10.291 -18.267 644 HB3 LEU 82 HB3 LEU 82 9.808 9.309 -18.985 645 HG LEU 82 HG LEU 82 10.108 11.805 -19.144 646 HD11 LEU 82 HD11 LEU 82 11.320 11.562 -21.042 647 HD12 LEU 82 HD12 LEU 82 10.000 10.790 -21.921 648 HD13 LEU 82 HD13 LEU 82 10.949 9.861 -20.761 649 HD21 LEU 82 HD21 LEU 82 8.825 13.082 -20.639 650 HD22 LEU 82 HD22 LEU 82 7.648 12.166 -19.696 651 HD23 LEU 82 HD23 LEU 82 8.057 11.654 -21.334 652 H MET 83 H MET 83 9.135 6.969 -19.997 653 HA MET 83 HA MET 83 10.495 7.207 -22.485 654 HB2 MET 83 HB2 MET 83 9.975 4.720 -20.847 655 HB3 MET 83 HB3 MET 83 11.184 4.898 -22.111 656 HG2 MET 83 HG2 MET 83 12.612 6.029 -20.782 657 HG3 MET 83 HG3 MET 83 11.321 6.833 -19.893 658 HE1 MET 83 HE1 MET 83 12.877 3.413 -20.650 659 HE2 MET 83 HE2 MET 83 12.629 2.479 -19.174 660 HE3 MET 83 HE3 MET 83 11.266 2.823 -20.240 661 H VAL 84 H VAL 84 7.786 5.140 -21.433 662 HA VAL 84 HA VAL 84 7.251 3.919 -23.866 663 HB VAL 84 HB VAL 84 6.206 3.244 -21.737 664 HG11 VAL 84 HG11 VAL 84 5.717 5.515 -20.907 665 HG12 VAL 84 HG12 VAL 84 4.438 5.658 -22.114 666 HG13 VAL 84 HG13 VAL 84 4.314 4.450 -20.835 667 HG21 VAL 84 HG21 VAL 84 5.189 2.997 -24.213 668 HG22 VAL 84 HG22 VAL 84 4.442 2.290 -22.780 669 HG23 VAL 84 HG23 VAL 84 3.849 3.824 -23.418 670 H ASN 85 H ASN 85 6.328 7.091 -22.689 671 HA ASN 85 HA ASN 85 4.371 7.696 -24.615 672 HB2 ASN 85 HB2 ASN 85 6.068 9.261 -22.739 673 HB3 ASN 85 HB3 ASN 85 5.321 10.140 -24.070 674 HD21 ASN 85 HD21 ASN 85 4.866 10.149 -21.129 675 HD22 ASN 85 HD22 ASN 85 3.170 9.876 -20.941 676 H ASN 86 H ASN 86 7.807 8.657 -24.514 677 HA ASN 86 HA ASN 86 7.796 9.724 -27.146 678 HB2 ASN 86 HB2 ASN 86 9.472 10.000 -25.069 679 HB3 ASN 86 HB3 ASN 86 10.354 8.770 -25.969 680 HD21 ASN 86 HD21 ASN 86 8.439 11.605 -26.911 681 HD22 ASN 86 HD22 ASN 86 9.673 12.327 -27.881 682 H CYS 87 H CYS 87 8.013 6.546 -25.913 683 HA CYS 87 HA CYS 87 9.571 5.312 -27.905 684 HB2 CYS 87 HB2 CYS 87 8.845 4.321 -25.684 685 HB3 CYS 87 HB3 CYS 87 7.278 4.020 -26.426 686 HG CYS 87 HG CYS 87 8.696 1.620 -26.370 687 H ILE 88 H ILE 88 6.030 5.073 -27.546 688 HA ILE 88 HA ILE 88 5.630 4.178 -30.200 689 HB ILE 88 HB ILE 88 3.257 4.495 -29.797 690 HG12 ILE 88 HG12 ILE 88 2.930 5.360 -27.225 691 HG13 ILE 88 HG13 ILE 88 4.264 6.373 -27.765 692 HG21 ILE 88 HG21 ILE 88 4.839 2.748 -28.513 693 HG22 ILE 88 HG22 ILE 88 4.101 3.555 -27.130 694 HG23 ILE 88 HG23 ILE 88 3.084 2.774 -28.341 695 HD11 ILE 88 HD11 ILE 88 1.475 6.603 -28.323 696 HD12 ILE 88 HD12 ILE 88 2.789 7.709 -28.720 697 HD13 ILE 88 HD13 ILE 88 2.369 6.404 -29.830 698 H LEU 89 H LEU 89 5.742 7.342 -28.734 699 HA LEU 89 HA LEU 89 4.507 8.759 -30.868 700 HB2 LEU 89 HB2 LEU 89 4.861 9.527 -28.467 701 HB3 LEU 89 HB3 LEU 89 6.519 9.889 -28.943 702 HG LEU 89 HG LEU 89 4.976 11.855 -28.910 703 HD11 LEU 89 HD11 LEU 89 5.971 11.351 -31.693 704 HD12 LEU 89 HD12 LEU 89 7.082 11.578 -30.343 705 HD13 LEU 89 HD13 LEU 89 5.949 12.858 -30.777 706 HD21 LEU 89 HD21 LEU 89 3.781 10.581 -31.366 707 HD22 LEU 89 HD22 LEU 89 3.336 12.122 -30.632 708 HD23 LEU 89 HD23 LEU 89 3.001 10.613 -29.784 709 H PHE 90 H PHE 90 7.920 8.876 -29.837 710 HA PHE 90 HA PHE 90 8.873 9.986 -32.224 711 HB2 PHE 90 HB2 PHE 90 9.980 9.607 -29.827 712 HB3 PHE 90 HB3 PHE 90 10.671 8.211 -30.648 713 HD1 PHE 90 HD1 PHE 90 11.408 8.988 -33.222 714 HD2 PHE 90 HD2 PHE 90 11.442 11.355 -29.684 715 HE1 PHE 90 HE1 PHE 90 13.145 10.427 -34.205 716 HE2 PHE 90 HE2 PHE 90 13.178 12.798 -30.662 717 HZ PHE 90 HZ PHE 90 14.032 12.335 -32.925 718 H ASN 91 H ASN 91 9.309 6.632 -31.082 719 HA ASN 91 HA ASN 91 8.521 5.374 -33.436 720 HB2 ASN 91 HB2 ASN 91 11.025 6.640 -33.735 721 HB3 ASN 91 HB3 ASN 91 11.361 4.917 -33.591 722 HD21 ASN 91 HD21 ASN 91 9.425 3.669 -34.842 723 HD22 ASN 91 HD22 ASN 91 9.300 4.153 -36.495 724 H GLY 92 H GLY 92 7.782 3.634 -32.389 725 HA2 GLY 92 HA2 GLY 92 9.679 1.810 -31.198 726 HA3 GLY 92 HA3 GLY 92 8.547 2.507 -30.048 727 H ALA 93 H ALA 93 6.201 2.295 -30.653 728 HA ALA 93 HA ALA 93 5.744 -0.439 -31.593 729 HB1 ALA 93 HB1 ALA 93 3.559 -0.247 -30.513 730 HB2 ALA 93 HB2 ALA 93 4.866 0.132 -29.391 731 HB3 ALA 93 HB3 ALA 93 3.908 1.432 -30.100 732 H GLU 94 H GLU 94 3.766 2.521 -31.762 733 HA GLU 94 HA GLU 94 2.517 3.420 -33.437 734 HB2 GLU 94 HB2 GLU 94 5.025 3.100 -34.464 735 HB3 GLU 94 HB3 GLU 94 4.060 2.207 -35.630 736 HG2 GLU 94 HG2 GLU 94 2.932 4.071 -36.339 737 HG3 GLU 94 HG3 GLU 94 3.183 4.932 -34.822 738 H GLY 95 H GLY 95 2.194 0.515 -32.550 739 HA2 GLY 95 HA2 GLY 95 -0.109 -0.111 -33.948 740 HA3 GLY 95 HA3 GLY 95 1.197 -0.929 -34.793 741 H ALA 96 H ALA 96 2.707 -1.289 -32.262 742 HA ALA 96 HA ALA 96 1.060 -3.448 -31.114 743 HB1 ALA 96 HB1 ALA 96 3.100 -4.719 -30.754 744 HB2 ALA 96 HB2 ALA 96 2.924 -4.301 -32.459 745 HB3 ALA 96 HB3 ALA 96 4.057 -3.409 -31.445 746 H TYR 97 H TYR 97 0.577 -1.240 -29.861 747 HA TYR 97 HA TYR 97 2.315 -0.189 -27.993 748 HB2 TYR 97 HB2 TYR 97 0.291 0.417 -26.687 749 HB3 TYR 97 HB3 TYR 97 0.141 0.801 -28.398 750 HD1 TYR 97 HD1 TYR 97 -0.980 -1.451 -25.714 751 HD2 TYR 97 HD2 TYR 97 -1.480 -0.311 -29.782 752 HE1 TYR 97 HE1 TYR 97 -3.076 -2.734 -25.810 753 HE2 TYR 97 HE2 TYR 97 -3.578 -1.590 -29.889 754 HH TYR 97 HH TYR 97 -5.204 -2.684 -27.196 755 H ALA 98 H ALA 98 0.621 -3.230 -27.952 756 HA ALA 98 HA ALA 98 0.696 -3.879 -25.256 757 HB1 ALA 98 HB1 ALA 98 1.331 -6.128 -27.005 758 HB2 ALA 98 HB2 ALA 98 -0.049 -5.875 -25.935 759 HB3 ALA 98 HB3 ALA 98 -0.047 -5.172 -27.552 760 H ASP 99 H ASP 99 3.272 -3.710 -27.569 761 HA ASP 99 HA ASP 99 5.156 -5.351 -26.258 762 HB2 ASP 99 HB2 ASP 99 5.516 -3.012 -28.139 763 HB3 ASP 99 HB3 ASP 99 6.841 -4.031 -27.582 764 H ALA 100 H ALA 100 4.282 -1.966 -25.899 765 HA ALA 100 HA ALA 100 6.442 -1.397 -24.078 766 HB1 ALA 100 HB1 ALA 100 5.980 0.661 -24.765 767 HB2 ALA 100 HB2 ALA 100 4.490 0.114 -25.535 768 HB3 ALA 100 HB3 ALA 100 4.481 0.597 -23.839 769 H ALA 101 H ALA 101 3.202 -2.572 -23.860 770 HA ALA 101 HA ALA 101 2.730 -1.850 -21.139 771 HB1 ALA 101 HB1 ALA 101 1.365 -4.166 -22.436 772 HB2 ALA 101 HB2 ALA 101 0.717 -2.952 -21.332 773 HB3 ALA 101 HB3 ALA 101 1.048 -2.529 -23.012 774 H ARG 102 H ARG 102 4.262 -4.538 -22.750 775 HA ARG 102 HA ARG 102 4.197 -6.431 -20.689 776 HB2 ARG 102 HB2 ARG 102 5.090 -6.490 -23.208 777 HB3 ARG 102 HB3 ARG 102 6.630 -6.262 -22.389 778 HG2 ARG 102 HG2 ARG 102 4.769 -8.405 -21.469 779 HG3 ARG 102 HG3 ARG 102 5.767 -8.656 -22.903 780 HD2 ARG 102 HD2 ARG 102 7.316 -7.536 -20.741 781 HD3 ARG 102 HD3 ARG 102 6.511 -9.022 -20.238 782 HE ARG 102 HE ARG 102 7.634 -9.590 -22.679 783 HH11 ARG 102 HH11 ARG 102 8.782 -8.495 -19.580 784 HH12 ARG 102 HH12 ARG 102 10.339 -9.237 -19.749 785 HH21 ARG 102 HH21 ARG 102 9.680 -10.571 -22.913 786 HH22 ARG 102 HH22 ARG 102 10.849 -10.416 -21.645 787 H THR 103 H THR 103 6.730 -4.062 -21.501 788 HA THR 103 HA THR 103 8.359 -4.674 -19.261 789 HB THR 103 HB THR 103 9.195 -3.548 -21.322 790 HG1 THR 103 HG1 THR 103 10.674 -2.355 -20.179 791 HG21 THR 103 HG21 THR 103 7.370 -1.982 -21.687 792 HG22 THR 103 HG22 THR 103 8.891 -1.107 -21.516 793 HG23 THR 103 HG23 THR 103 7.747 -1.157 -20.175 794 H PHE 104 H PHE 104 5.688 -2.484 -19.778 795 HA PHE 104 HA PHE 104 6.075 -0.809 -17.549 796 HB2 PHE 104 HB2 PHE 104 4.538 -0.233 -19.365 797 HB3 PHE 104 HB3 PHE 104 3.504 -1.593 -18.939 798 HD1 PHE 104 HD1 PHE 104 2.220 -1.558 -16.834 799 HD2 PHE 104 HD2 PHE 104 4.450 1.814 -18.168 800 HE1 PHE 104 HE1 PHE 104 0.965 -0.119 -15.283 801 HE2 PHE 104 HE2 PHE 104 3.198 3.258 -16.618 802 HZ PHE 104 HZ PHE 104 1.454 2.292 -15.172 803 H GLU 105 H GLU 105 3.926 -3.629 -17.941 804 HA GLU 105 HA GLU 105 2.961 -3.738 -15.341 805 HB2 GLU 105 HB2 GLU 105 3.302 -5.741 -17.525 806 HB3 GLU 105 HB3 GLU 105 2.898 -6.327 -15.917 807 HG2 GLU 105 HG2 GLU 105 1.184 -4.150 -16.505 808 HG3 GLU 105 HG3 GLU 105 1.185 -5.237 -17.892 809 H LYS 106 H LYS 106 5.908 -5.122 -16.711 810 HA LYS 106 HA LYS 106 6.733 -6.684 -14.569 811 HB2 LYS 106 HB2 LYS 106 7.829 -5.807 -17.007 812 HB3 LYS 106 HB3 LYS 106 8.990 -5.347 -15.768 813 HG2 LYS 106 HG2 LYS 106 9.566 -7.513 -16.594 814 HG3 LYS 106 HG3 LYS 106 8.961 -7.685 -14.945 815 HD2 LYS 106 HD2 LYS 106 6.665 -8.030 -16.248 816 HD3 LYS 106 HD3 LYS 106 7.769 -8.571 -17.515 817 HE2 LYS 106 HE2 LYS 106 8.564 -10.340 -16.240 818 HE3 LYS 106 HE3 LYS 106 8.057 -9.603 -14.721 819 HZ1 LYS 106 HZ1 LYS 106 6.406 -11.105 -14.923 820 HZ2 LYS 106 HZ2 LYS 106 6.530 -11.207 -16.608 821 HZ3 LYS 106 HZ3 LYS 106 5.706 -9.912 -15.897 822 H PHE 107 H PHE 107 7.399 -3.252 -15.210 823 HA PHE 107 HA PHE 107 9.046 -2.720 -13.046 824 HB2 PHE 107 HB2 PHE 107 7.311 -1.131 -14.823 825 HB3 PHE 107 HB3 PHE 107 7.655 -0.388 -13.265 826 HD1 PHE 107 HD1 PHE 107 9.374 -2.055 -16.117 827 HD2 PHE 107 HD2 PHE 107 9.586 0.842 -13.006 828 HE1 PHE 107 HE1 PHE 107 11.563 -1.313 -16.962 829 HE2 PHE 107 HE2 PHE 107 11.775 1.589 -13.846 830 HZ PHE 107 HZ PHE 107 12.766 0.511 -15.826 831 H ALA 108 H ALA 108 5.504 -2.591 -13.226 832 HA ALA 108 HA ALA 108 4.982 -1.645 -10.664 833 HB1 ALA 108 HB1 ALA 108 3.310 -1.906 -12.484 834 HB2 ALA 108 HB2 ALA 108 3.306 -3.642 -12.175 835 HB3 ALA 108 HB3 ALA 108 2.765 -2.523 -10.924 836 H MET 109 H MET 109 5.306 -5.008 -11.783 837 HA MET 109 HA MET 109 4.808 -6.256 -9.332 838 HB2 MET 109 HB2 MET 109 5.082 -7.248 -11.726 839 HB3 MET 109 HB3 MET 109 6.782 -7.373 -11.295 840 HG2 MET 109 HG2 MET 109 4.904 -8.445 -9.309 841 HG3 MET 109 HG3 MET 109 4.944 -9.296 -10.851 842 HE1 MET 109 HE1 MET 109 6.306 -10.895 -11.472 843 HE2 MET 109 HE2 MET 109 7.829 -10.082 -11.833 844 HE3 MET 109 HE3 MET 109 7.806 -11.468 -10.743 845 H GLY 110 H GLY 110 7.876 -5.197 -10.782 846 HA2 GLY 110 HA2 GLY 110 9.645 -6.156 -8.884 847 HA3 GLY 110 HA3 GLY 110 9.894 -4.684 -9.812 848 H LYS 111 H LYS 111 7.583 -3.315 -8.724 849 HA LYS 111 HA LYS 111 8.812 -2.196 -6.412 850 HB2 LYS 111 HB2 LYS 111 7.307 -1.024 -8.126 851 HB3 LYS 111 HB3 LYS 111 5.956 -1.740 -7.258 852 HG2 LYS 111 HG2 LYS 111 7.871 -0.346 -5.543 853 HG3 LYS 111 HG3 LYS 111 7.061 0.688 -6.722 854 HD2 LYS 111 HD2 LYS 111 5.554 -1.234 -4.967 855 HD3 LYS 111 HD3 LYS 111 5.934 0.412 -4.452 856 HE2 LYS 111 HE2 LYS 111 4.840 1.163 -6.629 857 HE3 LYS 111 HE3 LYS 111 4.216 -0.481 -6.751 858 HZ1 LYS 111 HZ1 LYS 111 3.709 0.494 -4.168 859 HZ2 LYS 111 HZ2 LYS 111 2.596 0.055 -5.365 860 HZ3 LYS 111 HZ3 LYS 111 3.169 1.644 -5.284 861 H ILE 112 H ILE 112 6.107 -4.390 -6.949 862 HA ILE 112 HA ILE 112 4.989 -4.424 -4.410 863 HB ILE 112 HB ILE 112 5.294 -6.819 -6.223 864 HG12 ILE 112 HG12 ILE 112 4.335 -4.985 -7.483 865 HG13 ILE 112 HG13 ILE 112 3.067 -6.145 -7.105 866 HG21 ILE 112 HG21 ILE 112 3.009 -7.320 -5.118 867 HG22 ILE 112 HG22 ILE 112 4.487 -7.642 -4.213 868 HG23 ILE 112 HG23 ILE 112 3.547 -6.188 -3.878 869 HD11 ILE 112 HD11 ILE 112 2.280 -4.721 -5.305 870 HD12 ILE 112 HD12 ILE 112 3.575 -3.570 -5.635 871 HD13 ILE 112 HD13 ILE 112 2.311 -3.845 -6.835 872 H ASP 113 H ASP 113 7.583 -6.497 -5.695 873 HA ASP 113 HA ASP 113 8.037 -7.978 -3.367 874 HB2 ASP 113 HB2 ASP 113 9.782 -7.268 -5.713 875 HB3 ASP 113 HB3 ASP 113 10.401 -8.230 -4.374 876 H ALA 114 H ALA 114 9.697 -5.055 -4.542 877 HA ALA 114 HA ALA 114 11.474 -4.750 -2.417 878 HB1 ALA 114 HB1 ALA 114 12.045 -2.781 -3.377 879 HB2 ALA 114 HB2 ALA 114 11.106 -3.438 -4.718 880 HB3 ALA 114 HB3 ALA 114 10.369 -2.281 -3.609 881 H TYR 115 H TYR 115 8.153 -3.590 -2.797 882 HA TYR 115 HA TYR 115 7.944 -1.931 -0.603 883 HB2 TYR 115 HB2 TYR 115 6.121 -2.068 -2.142 884 HB3 TYR 115 HB3 TYR 115 5.912 -3.789 -1.841 885 HD1 TYR 115 HD1 TYR 115 5.584 -0.440 -0.277 886 HD2 TYR 115 HD2 TYR 115 4.487 -4.548 -0.128 887 HE1 TYR 115 HE1 TYR 115 3.920 0.074 1.459 888 HE2 TYR 115 HE2 TYR 115 2.819 -4.046 1.608 889 HH TYR 115 HH TYR 115 1.996 -2.491 2.975 890 H ILE 116 H ILE 116 7.494 -5.450 -0.732 891 HA ILE 116 HA ILE 116 6.810 -5.797 1.975 892 HB ILE 116 HB ILE 116 8.203 -7.782 0.176 893 HG12 ILE 116 HG12 ILE 116 5.239 -7.424 0.655 894 HG13 ILE 116 HG13 ILE 116 6.087 -6.823 -0.766 895 HG21 ILE 116 HG21 ILE 116 7.342 -7.892 2.909 896 HG22 ILE 116 HG22 ILE 116 6.430 -9.049 1.941 897 HG23 ILE 116 HG23 ILE 116 8.193 -9.108 1.957 898 HD11 ILE 116 HD11 ILE 116 5.257 -8.794 -1.557 899 HD12 ILE 116 HD12 ILE 116 6.839 -9.321 -0.984 900 HD13 ILE 116 HD13 ILE 116 5.403 -9.610 -0.001 901 H SER 117 H SER 117 9.911 -5.670 0.319 902 HA SER 117 HA SER 117 11.550 -6.626 2.371 903 HB2 SER 117 HB2 SER 117 11.898 -5.218 -0.142 904 HB3 SER 117 HB3 SER 117 13.040 -4.646 1.074 905 HG SER 117 HG SER 117 13.141 -6.887 -0.334 906 H GLN 118 H GLN 118 10.357 -3.364 1.707 907 HA GLN 118 HA GLN 118 11.533 -2.455 4.242 908 HB2 GLN 118 HB2 GLN 118 11.100 -0.162 3.366 909 HB3 GLN 118 HB3 GLN 118 12.215 -1.096 2.379 910 HG2 GLN 118 HG2 GLN 118 9.650 -1.583 1.347 911 HG3 GLN 118 HG3 GLN 118 9.753 0.152 1.644 912 HE21 GLN 118 HE21 GLN 118 12.150 -2.248 0.615 913 HE22 GLN 118 HE22 GLN 118 12.597 -1.432 -0.840 914 H LYS 119 H LYS 119 9.534 -3.933 4.901 915 HA LYS 119 HA LYS 119 7.224 -2.138 5.261 916 HB2 LYS 119 HB2 LYS 119 7.352 -4.818 4.291 917 HB3 LYS 119 HB3 LYS 119 6.508 -4.834 5.834 918 HG2 LYS 119 HG2 LYS 119 5.389 -2.685 4.523 919 HG3 LYS 119 HG3 LYS 119 5.632 -3.872 3.240 920 HD2 LYS 119 HD2 LYS 119 3.511 -4.382 4.063 921 HD3 LYS 119 HD3 LYS 119 4.560 -5.547 4.875 922 HE2 LYS 119 HE2 LYS 119 4.598 -4.154 6.866 923 HE3 LYS 119 HE3 LYS 119 3.620 -2.933 6.054 924 HZ1 LYS 119 HZ1 LYS 119 2.735 -5.717 6.584 925 HZ2 LYS 119 HZ2 LYS 119 1.798 -4.467 5.934 926 HZ3 LYS 119 HZ3 LYS 119 2.325 -4.382 7.538 927 H VAL 120 H VAL 120 9.722 -3.870 6.787 928 HA VAL 120 HA VAL 120 8.528 -4.359 9.307 929 HB VAL 120 HB VAL 120 10.620 -5.449 8.559 930 HG11 VAL 120 HG11 VAL 120 11.482 -3.110 7.706 931 HG12 VAL 120 HG12 VAL 120 12.185 -3.035 9.324 932 HG13 VAL 120 HG13 VAL 120 12.608 -4.360 8.238 933 HG21 VAL 120 HG21 VAL 120 11.243 -5.808 10.689 934 HG22 VAL 120 HG22 VAL 120 11.534 -4.096 10.998 935 HG23 VAL 120 HG23 VAL 120 9.895 -4.741 11.081 936 H GLY 121 H GLY 121 9.863 -1.525 7.823 937 HA2 GLY 121 HA2 GLY 121 8.776 0.297 9.579 938 HA3 GLY 121 HA3 GLY 121 10.367 -0.069 10.228 939 H GLY 122 H GLY 122 9.443 0.098 6.819 940 HA2 GLY 122 HA2 GLY 122 10.953 2.605 6.559 941 HA3 GLY 122 HA3 GLY 122 11.439 1.220 5.592 942 H LEU 123 H LEU 123 8.115 1.245 6.094 943 HA LEU 123 HA LEU 123 7.196 3.097 4.216 944 HB2 LEU 123 HB2 LEU 123 8.578 1.098 2.954 945 HB3 LEU 123 HB3 LEU 123 6.915 0.520 2.864 946 HG LEU 123 HG LEU 123 6.357 2.807 1.871 947 HD11 LEU 123 HD11 LEU 123 8.245 4.103 2.365 948 HD12 LEU 123 HD12 LEU 123 8.366 3.773 0.638 949 HD13 LEU 123 HD13 LEU 123 9.357 2.866 1.780 950 HD21 LEU 123 HD21 LEU 123 7.440 0.421 0.712 951 HD22 LEU 123 HD22 LEU 123 7.921 1.822 -0.245 952 HD23 LEU 123 HD23 LEU 123 6.213 1.516 0.072 953 H GLU 124 H GLU 124 6.717 -0.256 5.296 954 HA GLU 124 HA GLU 124 4.917 -1.324 6.186 955 HB2 GLU 124 HB2 GLU 124 4.861 1.276 7.252 956 HB3 GLU 124 HB3 GLU 124 3.207 0.924 6.771 957 HG2 GLU 124 HG2 GLU 124 4.068 -1.383 8.053 958 HG3 GLU 124 HG3 GLU 124 4.726 -0.060 9.015 Start of MODEL 17 1 H1 MET 1 H1 MET 1 0.197 0.064 1.618 2 HA MET 1 HA MET 1 1.342 0.293 -1.087 3 HB2 MET 1 HB2 MET 1 -0.969 1.346 -0.477 4 HB3 MET 1 HB3 MET 1 0.003 2.576 0.321 5 HG2 MET 1 HG2 MET 1 0.663 3.497 -1.612 6 HG3 MET 1 HG3 MET 1 0.823 1.940 -2.421 7 HE1 MET 1 HE1 MET 1 -1.617 3.202 -4.995 8 HE2 MET 1 HE2 MET 1 0.030 3.526 -4.453 9 HE3 MET 1 HE3 MET 1 -0.520 1.862 -4.654 10 H SER 2 H SER 2 2.779 2.203 -1.396 11 HA SER 2 HA SER 2 4.939 2.121 0.382 12 HB2 SER 2 HB2 SER 2 4.793 4.589 -1.181 13 HB3 SER 2 HB3 SER 2 5.996 3.301 -1.221 14 HG SER 2 HG SER 2 4.375 3.763 -3.097 15 H GLN 3 H GLN 3 5.838 4.560 0.979 16 HA GLN 3 HA GLN 3 3.737 5.838 2.590 17 HB2 GLN 3 HB2 GLN 3 5.661 4.243 3.688 18 HB3 GLN 3 HB3 GLN 3 6.426 5.824 3.786 19 HG2 GLN 3 HG2 GLN 3 3.864 6.295 4.683 20 HG3 GLN 3 HG3 GLN 3 4.249 4.706 5.341 21 HE21 GLN 3 HE21 GLN 3 5.541 7.981 5.021 22 HE22 GLN 3 HE22 GLN 3 6.372 7.991 6.535 23 H ASN 4 H ASN 4 3.538 7.874 1.961 24 HA ASN 4 HA ASN 4 5.513 9.226 0.427 25 HB2 ASN 4 HB2 ASN 4 3.970 11.228 0.815 26 HB3 ASN 4 HB3 ASN 4 3.271 9.837 -0.010 27 HD21 ASN 4 HD21 ASN 4 1.234 10.753 0.652 28 HD22 ASN 4 HD22 ASN 4 0.633 10.437 2.241 29 H ARG 5 H ARG 5 7.376 9.149 1.777 30 HA ARG 5 HA ARG 5 7.757 11.482 3.333 31 HB2 ARG 5 HB2 ARG 5 6.504 10.183 5.003 32 HB3 ARG 5 HB3 ARG 5 7.670 8.874 4.860 33 HG2 ARG 5 HG2 ARG 5 9.426 10.557 5.586 34 HG3 ARG 5 HG3 ARG 5 8.077 11.609 6.022 35 HD2 ARG 5 HD2 ARG 5 8.158 8.792 7.017 36 HD3 ARG 5 HD3 ARG 5 9.132 10.030 7.807 37 HE ARG 5 HE ARG 5 6.522 10.995 7.566 38 HH11 ARG 5 HH11 ARG 5 8.274 8.500 9.245 39 HH12 ARG 5 HH12 ARG 5 7.195 8.472 10.600 40 HH21 ARG 5 HH21 ARG 5 5.093 10.969 9.344 41 HH22 ARG 5 HH22 ARG 5 5.385 9.877 10.655 42 H GLN 6 H GLN 6 9.114 8.228 3.790 43 HA GLN 6 HA GLN 6 11.587 9.131 2.489 44 HB2 GLN 6 HB2 GLN 6 12.942 8.600 4.260 45 HB3 GLN 6 HB3 GLN 6 11.509 9.128 5.131 46 HG2 GLN 6 HG2 GLN 6 12.314 6.288 4.549 47 HG3 GLN 6 HG3 GLN 6 12.370 7.106 6.110 48 HE21 GLN 6 HE21 GLN 6 10.850 4.740 4.866 49 HE22 GLN 6 HE22 GLN 6 9.222 5.003 5.381 50 H LEU 7 H LEU 7 12.932 7.431 1.679 51 HA LEU 7 HA LEU 7 11.436 4.945 1.176 52 HB2 LEU 7 HB2 LEU 7 13.049 6.705 -0.527 53 HB3 LEU 7 HB3 LEU 7 13.390 4.987 -0.722 54 HG LEU 7 HG LEU 7 11.661 6.102 -2.275 55 HD11 LEU 7 HD11 LEU 7 11.710 3.864 -2.601 56 HD12 LEU 7 HD12 LEU 7 10.130 3.962 -1.824 57 HD13 LEU 7 HD13 LEU 7 11.547 3.495 -0.884 58 HD21 LEU 7 HD21 LEU 7 10.503 7.067 -0.139 59 HD22 LEU 7 HD22 LEU 7 9.720 5.487 -0.094 60 HD23 LEU 7 HD23 LEU 7 9.533 6.523 -1.509 61 H LEU 8 H LEU 8 12.219 3.153 2.052 62 HA LEU 8 HA LEU 8 14.432 3.000 3.690 63 HB2 LEU 8 HB2 LEU 8 12.537 1.166 2.535 64 HB3 LEU 8 HB3 LEU 8 14.142 0.441 2.592 65 HG LEU 8 HG LEU 8 12.981 -0.202 4.568 66 HD11 LEU 8 HD11 LEU 8 15.405 1.062 4.597 67 HD12 LEU 8 HD12 LEU 8 14.707 0.157 5.939 68 HD13 LEU 8 HD13 LEU 8 14.522 1.909 5.868 69 HD21 LEU 8 HD21 LEU 8 11.699 2.263 4.315 70 HD22 LEU 8 HD22 LEU 8 12.597 2.361 5.830 71 HD23 LEU 8 HD23 LEU 8 11.444 1.051 5.571 72 H TYR 9 H TYR 9 14.325 1.227 0.608 73 HA TYR 9 HA TYR 9 16.703 2.368 -0.429 74 HB2 TYR 9 HB2 TYR 9 17.994 0.115 -0.257 75 HB3 TYR 9 HB3 TYR 9 18.004 1.215 1.117 76 HD1 TYR 9 HD1 TYR 9 16.765 0.680 3.149 77 HD2 TYR 9 HD2 TYR 9 16.816 -1.999 -0.156 78 HE1 TYR 9 HE1 TYR 9 15.896 -1.111 4.594 79 HE2 TYR 9 HE2 TYR 9 15.946 -3.796 1.279 80 HH TYR 9 HH TYR 9 14.731 -3.204 4.434 81 HA PRO 10 HA PRO 10 13.951 0.078 -3.374 82 HB2 PRO 10 HB2 PRO 10 13.761 2.128 -5.144 83 HB3 PRO 10 HB3 PRO 10 12.687 1.960 -3.750 84 HG2 PRO 10 HG2 PRO 10 15.114 3.683 -4.076 85 HG3 PRO 10 HG3 PRO 10 13.547 4.083 -3.346 86 HD2 PRO 10 HD2 PRO 10 15.725 3.451 -1.866 87 HD3 PRO 10 HD3 PRO 10 14.073 3.056 -1.351 88 H ARG 11 H ARG 11 15.083 -1.313 -4.568 89 HA ARG 11 HA ARG 11 16.573 -0.594 -6.814 90 HB2 ARG 11 HB2 ARG 11 18.847 -1.402 -5.947 91 HB3 ARG 11 HB3 ARG 11 18.337 0.220 -5.499 92 HG2 ARG 11 HG2 ARG 11 18.441 -0.263 -3.338 93 HG3 ARG 11 HG3 ARG 11 17.458 -1.714 -3.551 94 HD2 ARG 11 HD2 ARG 11 19.765 -2.583 -4.602 95 HD3 ARG 11 HD3 ARG 11 20.398 -1.398 -3.458 96 HE ARG 11 HE ARG 11 18.470 -3.135 -2.265 97 HH11 ARG 11 HH11 ARG 11 21.806 -2.873 -3.228 98 HH12 ARG 11 HH12 ARG 11 22.367 -4.030 -2.067 99 HH21 ARG 11 HH21 ARG 11 19.198 -4.660 -0.733 100 HH22 ARG 11 HH22 ARG 11 20.883 -5.047 -0.649 101 H GLU 12 H GLU 12 15.998 -2.935 -4.266 102 HA GLU 12 HA GLU 12 16.966 -5.251 -5.419 103 HB2 GLU 12 HB2 GLU 12 15.665 -4.734 -3.140 104 HB3 GLU 12 HB3 GLU 12 14.328 -5.414 -4.058 105 HG2 GLU 12 HG2 GLU 12 15.263 -7.499 -4.149 106 HG3 GLU 12 HG3 GLU 12 16.909 -6.888 -3.993 107 H GLU 13 H GLU 13 14.128 -3.404 -6.228 108 HA GLU 13 HA GLU 13 13.083 -5.492 -7.963 109 HB2 GLU 13 HB2 GLU 13 11.247 -3.918 -8.396 110 HB3 GLU 13 HB3 GLU 13 11.493 -4.169 -6.673 111 HG2 GLU 13 HG2 GLU 13 11.355 -1.936 -6.590 112 HG3 GLU 13 HG3 GLU 13 13.051 -2.011 -7.062 113 H MET 14 H MET 14 14.597 -2.311 -8.207 114 HA MET 14 HA MET 14 14.327 -1.812 -10.906 115 HB2 MET 14 HB2 MET 14 16.727 -1.244 -9.158 116 HB3 MET 14 HB3 MET 14 16.414 -0.499 -10.720 117 HG2 MET 14 HG2 MET 14 14.126 0.121 -9.516 118 HG3 MET 14 HG3 MET 14 15.155 -0.007 -8.092 119 HE1 MET 14 HE1 MET 14 14.883 1.130 -11.568 120 HE2 MET 14 HE2 MET 14 14.539 2.828 -11.236 121 HE3 MET 14 HE3 MET 14 16.147 2.343 -11.773 122 H VAL 15 H VAL 15 16.578 -3.964 -9.272 123 HA VAL 15 HA VAL 15 18.155 -4.529 -11.582 124 HB VAL 15 HB VAL 15 19.030 -6.436 -10.252 125 HG11 VAL 15 HG11 VAL 15 20.430 -5.059 -9.167 126 HG12 VAL 15 HG12 VAL 15 19.491 -3.772 -9.925 127 HG13 VAL 15 HG13 VAL 15 19.126 -4.276 -8.275 128 HG21 VAL 15 HG21 VAL 15 17.117 -5.463 -8.131 129 HG22 VAL 15 HG22 VAL 15 16.943 -6.956 -9.054 130 HG23 VAL 15 HG23 VAL 15 18.308 -6.751 -7.957 131 H SER 16 H SER 16 15.241 -5.857 -10.197 132 HA SER 16 HA SER 16 15.181 -8.350 -11.448 133 HB2 SER 16 HB2 SER 16 12.833 -6.548 -10.803 134 HB3 SER 16 HB3 SER 16 12.753 -8.285 -11.100 135 HG SER 16 HG SER 16 13.859 -8.654 -9.224 136 H LEU 17 H LEU 17 13.900 -5.228 -12.566 137 HA LEU 17 HA LEU 17 12.801 -6.106 -14.975 138 HB2 LEU 17 HB2 LEU 17 14.076 -3.435 -14.402 139 HB3 LEU 17 HB3 LEU 17 12.944 -3.788 -15.706 140 HG LEU 17 HG LEU 17 11.483 -2.846 -14.261 141 HD11 LEU 17 HD11 LEU 17 10.952 -5.318 -14.497 142 HD12 LEU 17 HD12 LEU 17 10.185 -4.464 -13.158 143 HD13 LEU 17 HD13 LEU 17 11.580 -5.501 -12.859 144 HD21 LEU 17 HD21 LEU 17 13.623 -3.305 -12.366 145 HD22 LEU 17 HD22 LEU 17 12.036 -3.573 -11.644 146 HD23 LEU 17 HD23 LEU 17 12.407 -2.028 -12.409 147 H VAL 18 H VAL 18 15.878 -4.328 -14.643 148 HA VAL 18 HA VAL 18 16.852 -4.742 -17.183 149 HB VAL 18 HB VAL 18 17.896 -3.272 -15.460 150 HG11 VAL 18 HG11 VAL 18 19.525 -4.246 -13.911 151 HG12 VAL 18 HG12 VAL 18 17.894 -4.839 -13.594 152 HG13 VAL 18 HG13 VAL 18 19.057 -5.862 -14.438 153 HG21 VAL 18 HG21 VAL 18 19.885 -3.260 -16.556 154 HG22 VAL 18 HG22 VAL 18 20.108 -5.003 -16.397 155 HG23 VAL 18 HG23 VAL 18 19.015 -4.362 -17.624 156 H ARG 19 H ARG 19 16.832 -6.944 -14.464 157 HA ARG 19 HA ARG 19 18.668 -8.827 -15.553 158 HB2 ARG 19 HB2 ARG 19 16.707 -8.817 -13.301 159 HB3 ARG 19 HB3 ARG 19 17.344 -10.361 -13.854 160 HG2 ARG 19 HG2 ARG 19 19.345 -8.255 -13.379 161 HG3 ARG 19 HG3 ARG 19 18.494 -8.850 -11.951 162 HD2 ARG 19 HD2 ARG 19 19.899 -10.589 -13.975 163 HD3 ARG 19 HD3 ARG 19 20.587 -10.084 -12.433 164 HE ARG 19 HE ARG 19 18.685 -12.172 -12.865 165 HH11 ARG 19 HH11 ARG 19 19.777 -9.784 -10.579 166 HH12 ARG 19 HH12 ARG 19 19.212 -10.660 -9.195 167 HH21 ARG 19 HH21 ARG 19 17.936 -13.335 -11.051 168 HH22 ARG 19 HH22 ARG 19 18.166 -12.680 -9.465 169 H SER 20 H SER 20 15.161 -8.471 -15.644 170 HA SER 20 HA SER 20 14.515 -10.949 -16.769 171 HB2 SER 20 HB2 SER 20 12.758 -9.575 -15.887 172 HB3 SER 20 HB3 SER 20 13.157 -8.256 -16.988 173 HG SER 20 HG SER 20 12.432 -9.510 -18.701 174 H LEU 21 H LEU 21 15.711 -7.995 -18.216 175 HA LEU 21 HA LEU 21 15.484 -9.179 -20.891 176 HB2 LEU 21 HB2 LEU 21 15.833 -6.987 -21.769 177 HB3 LEU 21 HB3 LEU 21 14.594 -6.898 -20.519 178 HG LEU 21 HG LEU 21 17.093 -6.344 -19.296 179 HD11 LEU 21 HD11 LEU 21 18.202 -4.896 -20.608 180 HD12 LEU 21 HD12 LEU 21 16.726 -4.251 -21.326 181 HD13 LEU 21 HD13 LEU 21 17.404 -5.767 -21.918 182 HD21 LEU 21 HD21 LEU 21 15.316 -5.336 -18.289 183 HD22 LEU 21 HD22 LEU 21 14.513 -4.971 -19.816 184 HD23 LEU 21 HD23 LEU 21 15.878 -3.990 -19.282 185 H ASP 22 H ASP 22 17.337 -8.878 -22.368 186 HA ASP 22 HA ASP 22 19.922 -8.245 -21.535 187 HB2 ASP 22 HB2 ASP 22 19.196 -10.535 -20.278 188 HB3 ASP 22 HB3 ASP 22 19.892 -11.193 -21.757 189 H ARG 23 H ARG 23 18.586 -7.661 -23.787 190 HA ARG 23 HA ARG 23 19.937 -9.293 -25.835 191 HB2 ARG 23 HB2 ARG 23 18.029 -8.496 -27.355 192 HB3 ARG 23 HB3 ARG 23 17.663 -9.751 -26.178 193 HG2 ARG 23 HG2 ARG 23 17.211 -7.153 -25.038 194 HG3 ARG 23 HG3 ARG 23 16.330 -7.328 -26.558 195 HD2 ARG 23 HD2 ARG 23 15.102 -8.061 -24.478 196 HD3 ARG 23 HD3 ARG 23 15.185 -9.245 -25.782 197 HE ARG 23 HE ARG 23 17.342 -9.697 -24.072 198 HH11 ARG 23 HH11 ARG 23 13.865 -9.869 -24.027 199 HH12 ARG 23 HH12 ARG 23 13.813 -11.140 -22.850 200 HH21 ARG 23 HH21 ARG 23 17.286 -11.370 -22.522 201 HH22 ARG 23 HH22 ARG 23 15.759 -11.992 -21.994 202 HA PRO 24 HA PRO 24 21.361 -4.842 -25.990 203 HB2 PRO 24 HB2 PRO 24 24.014 -5.416 -25.935 204 HB3 PRO 24 HB3 PRO 24 23.048 -5.195 -24.471 205 HG2 PRO 24 HG2 PRO 24 23.902 -7.732 -25.812 206 HG3 PRO 24 HG3 PRO 24 23.887 -7.329 -24.085 207 HD2 PRO 24 HD2 PRO 24 21.955 -8.828 -25.248 208 HD3 PRO 24 HD3 PRO 24 21.629 -7.747 -23.879 209 H GLN 25 H GLN 25 20.385 -5.267 -28.175 210 HA GLN 25 HA GLN 25 21.966 -6.416 -30.241 211 HB2 GLN 25 HB2 GLN 25 19.588 -4.555 -30.356 212 HB3 GLN 25 HB3 GLN 25 20.308 -5.326 -31.763 213 HG2 GLN 25 HG2 GLN 25 19.052 -6.744 -29.423 214 HG3 GLN 25 HG3 GLN 25 18.321 -6.510 -31.010 215 HE21 GLN 25 HE21 GLN 25 20.288 -7.089 -32.729 216 HE22 GLN 25 HE22 GLN 25 20.807 -8.727 -32.546 217 H GLU 26 H GLU 26 21.204 -3.044 -29.386 218 HA GLU 26 HA GLU 26 23.024 -1.987 -31.338 219 HB2 GLU 26 HB2 GLU 26 21.013 -0.953 -29.526 220 HB3 GLU 26 HB3 GLU 26 22.468 0.032 -29.486 221 HG2 GLU 26 HG2 GLU 26 21.538 -0.707 -32.170 222 HG3 GLU 26 HG3 GLU 26 20.456 0.343 -31.256 223 H ASN 27 H ASN 27 22.997 -2.176 -27.785 224 HA ASN 27 HA ASN 27 24.650 -1.929 -26.235 225 HB2 ASN 27 HB2 ASN 27 25.291 -4.056 -27.506 226 HB3 ASN 27 HB3 ASN 27 26.499 -3.071 -28.326 227 HD21 ASN 27 HD21 ASN 27 25.345 -3.811 -25.056 228 HD22 ASN 27 HD22 ASN 27 26.912 -3.850 -24.328 229 H GLY 28 H GLY 28 24.256 0.464 -27.074 230 HA2 GLY 28 HA2 GLY 28 26.859 1.687 -27.068 231 HA3 GLY 28 HA3 GLY 28 26.010 1.901 -28.591 232 H LEU 29 H LEU 29 23.381 2.105 -27.506 233 HA LEU 29 HA LEU 29 23.275 4.148 -25.526 234 HB2 LEU 29 HB2 LEU 29 24.064 5.642 -27.146 235 HB3 LEU 29 HB3 LEU 29 23.100 4.901 -28.423 236 HG LEU 29 HG LEU 29 21.519 6.093 -26.260 237 HD11 LEU 29 HD11 LEU 29 22.698 7.983 -26.096 238 HD12 LEU 29 HD12 LEU 29 22.082 8.347 -27.707 239 HD13 LEU 29 HD13 LEU 29 23.672 7.609 -27.518 240 HD21 LEU 29 HD21 LEU 29 20.155 6.810 -28.059 241 HD22 LEU 29 HD22 LEU 29 20.703 5.184 -28.465 242 HD23 LEU 29 HD23 LEU 29 21.456 6.584 -29.229 243 H PHE 30 H PHE 30 21.709 2.539 -28.242 244 HA PHE 30 HA PHE 30 19.048 3.145 -27.526 245 HB2 PHE 30 HB2 PHE 30 20.406 1.329 -29.400 246 HB3 PHE 30 HB3 PHE 30 18.840 0.752 -28.837 247 HD1 PHE 30 HD1 PHE 30 20.431 3.851 -30.168 248 HD2 PHE 30 HD2 PHE 30 16.962 1.390 -29.992 249 HE1 PHE 30 HE1 PHE 30 19.311 5.320 -31.793 250 HE2 PHE 30 HE2 PHE 30 15.837 2.855 -31.617 251 HZ PHE 30 HZ PHE 30 17.010 4.823 -32.519 252 H SER 31 H SER 31 21.337 1.132 -26.075 253 HA SER 31 HA SER 31 19.322 0.072 -24.266 254 HB2 SER 31 HB2 SER 31 21.132 -1.666 -25.943 255 HB3 SER 31 HB3 SER 31 20.407 -2.237 -24.440 256 HG SER 31 HG SER 31 19.314 -2.227 -26.818 257 H GLN 32 H GLN 32 21.647 1.962 -24.265 258 HA GLN 32 HA GLN 32 22.795 1.047 -21.776 259 HB2 GLN 32 HB2 GLN 32 24.206 0.643 -24.206 260 HB3 GLN 32 HB3 GLN 32 25.017 1.940 -23.339 261 HG2 GLN 32 HG2 GLN 32 26.077 -0.019 -22.640 262 HG3 GLN 32 HG3 GLN 32 24.991 0.410 -21.319 263 HE21 GLN 32 HE21 GLN 32 24.521 -1.265 -24.411 264 HE22 GLN 32 HE22 GLN 32 23.814 -2.687 -23.729 265 H ASP 33 H ASP 33 24.605 2.794 -21.153 266 HA ASP 33 HA ASP 33 23.271 5.388 -21.478 267 HB2 ASP 33 HB2 ASP 33 25.215 4.412 -19.375 268 HB3 ASP 33 HB3 ASP 33 24.554 6.043 -19.442 269 H VAL 34 H VAL 34 24.120 6.585 -23.049 270 HA VAL 34 HA VAL 34 26.631 6.276 -24.210 271 HB VAL 34 HB VAL 34 24.720 7.540 -25.208 272 HG11 VAL 34 HG11 VAL 34 24.724 8.950 -22.875 273 HG12 VAL 34 HG12 VAL 34 25.532 10.069 -23.975 274 HG13 VAL 34 HG13 VAL 34 23.923 9.458 -24.362 275 HG21 VAL 34 HG21 VAL 34 27.193 9.245 -25.147 276 HG22 VAL 34 HG22 VAL 34 27.156 7.675 -25.950 277 HG23 VAL 34 HG23 VAL 34 26.081 8.966 -26.487 278 H LEU 35 H LEU 35 25.692 7.939 -21.322 279 HA LEU 35 HA LEU 35 27.985 9.625 -21.124 280 HB2 LEU 35 HB2 LEU 35 25.597 9.561 -19.879 281 HB3 LEU 35 HB3 LEU 35 26.604 8.795 -18.653 282 HG LEU 35 HG LEU 35 26.339 11.198 -18.263 283 HD11 LEU 35 HD11 LEU 35 28.455 9.888 -17.712 284 HD12 LEU 35 HD12 LEU 35 28.579 11.646 -17.746 285 HD13 LEU 35 HD13 LEU 35 29.175 10.694 -19.105 286 HD21 LEU 35 HD21 LEU 35 26.314 12.603 -19.980 287 HD22 LEU 35 HD22 LEU 35 26.853 11.331 -21.077 288 HD23 LEU 35 HD23 LEU 35 28.038 12.307 -20.209 289 H LEU 36 H LEU 36 27.366 6.314 -20.452 290 HA LEU 36 HA LEU 36 29.674 6.060 -18.689 291 HB2 LEU 36 HB2 LEU 36 27.462 4.245 -19.546 292 HB3 LEU 36 HB3 LEU 36 28.941 3.564 -18.871 293 HG LEU 36 HG LEU 36 27.209 3.755 -17.175 294 HD11 LEU 36 HD11 LEU 36 29.795 4.448 -16.893 295 HD12 LEU 36 HD12 LEU 36 28.646 4.377 -15.557 296 HD13 LEU 36 HD13 LEU 36 29.012 5.923 -16.324 297 HD21 LEU 36 HD21 LEU 36 26.425 6.013 -18.454 298 HD22 LEU 36 HD22 LEU 36 27.284 6.690 -17.070 299 HD23 LEU 36 HD23 LEU 36 25.941 5.575 -16.815 300 H GLN 37 H GLN 37 29.605 6.610 -21.743 301 HA GLN 37 HA GLN 37 31.157 4.342 -22.711 302 HB2 GLN 37 HB2 GLN 37 30.353 6.867 -24.165 303 HB3 GLN 37 HB3 GLN 37 31.034 5.416 -24.889 304 HG2 GLN 37 HG2 GLN 37 28.436 5.391 -23.390 305 HG3 GLN 37 HG3 GLN 37 28.534 5.757 -25.111 306 HE21 GLN 37 HE21 GLN 37 27.021 3.711 -24.567 307 HE22 GLN 37 HE22 GLN 37 27.793 2.204 -24.905 308 H TYR 38 H TYR 38 31.623 7.849 -23.113 309 HA TYR 38 HA TYR 38 34.280 7.693 -21.966 310 HB2 TYR 38 HB2 TYR 38 33.990 7.320 -24.717 311 HB3 TYR 38 HB3 TYR 38 34.476 9.003 -24.549 312 HD1 TYR 38 HD1 TYR 38 35.415 5.609 -23.299 313 HD2 TYR 38 HD2 TYR 38 36.733 9.493 -24.432 314 HE1 TYR 38 HE1 TYR 38 37.751 4.897 -23.001 315 HE2 TYR 38 HE2 TYR 38 39.072 8.791 -24.138 316 HH TYR 38 HH TYR 38 40.303 7.011 -22.784 317 HA PRO 39 HA PRO 39 33.200 11.785 -20.754 318 HB2 PRO 39 HB2 PRO 39 35.675 12.704 -20.119 319 HB3 PRO 39 HB3 PRO 39 34.790 11.553 -19.111 320 HG2 PRO 39 HG2 PRO 39 36.964 11.045 -21.105 321 HG3 PRO 39 HG3 PRO 39 36.740 10.344 -19.491 322 HD2 PRO 39 HD2 PRO 39 36.061 9.028 -21.758 323 HD3 PRO 39 HD3 PRO 39 35.177 8.820 -20.232 324 H GLU 40 H GLU 40 32.691 12.121 -23.153 325 HA GLU 40 HA GLU 40 34.038 14.494 -24.017 326 HB2 GLU 40 HB2 GLU 40 34.673 13.614 -26.258 327 HB3 GLU 40 HB3 GLU 40 35.620 12.935 -24.942 328 HG2 GLU 40 HG2 GLU 40 33.768 11.057 -25.051 329 HG3 GLU 40 HG3 GLU 40 33.620 11.641 -26.707 330 H LEU 41 H LEU 41 31.793 11.886 -24.801 331 HA LEU 41 HA LEU 41 30.195 13.705 -26.438 332 HB2 LEU 41 HB2 LEU 41 28.838 11.621 -26.864 333 HB3 LEU 41 HB3 LEU 41 30.490 11.621 -27.477 334 HG LEU 41 HG LEU 41 29.532 9.494 -26.337 335 HD11 LEU 41 HD11 LEU 41 32.110 10.003 -25.089 336 HD12 LEU 41 HD12 LEU 41 32.064 10.460 -26.791 337 HD13 LEU 41 HD13 LEU 41 31.654 8.814 -26.309 338 HD21 LEU 41 HD21 LEU 41 29.887 9.389 -23.942 339 HD22 LEU 41 HD22 LEU 41 28.724 10.659 -24.326 340 HD23 LEU 41 HD23 LEU 41 30.387 11.081 -23.918 341 H ALA 42 H ALA 42 30.426 13.898 -23.479 342 HA ALA 42 HA ALA 42 28.035 12.984 -22.275 343 HB1 ALA 42 HB1 ALA 42 28.658 14.228 -20.394 344 HB2 ALA 42 HB2 ALA 42 30.187 13.764 -21.140 345 HB3 ALA 42 HB3 ALA 42 29.561 15.399 -21.356 346 H GLU 43 H GLU 43 28.814 15.775 -24.197 347 HA GLU 43 HA GLU 43 26.641 17.417 -23.446 348 HB2 GLU 43 HB2 GLU 43 28.693 18.155 -24.701 349 HB3 GLU 43 HB3 GLU 43 28.029 17.371 -26.127 350 HG2 GLU 43 HG2 GLU 43 26.211 18.875 -26.227 351 HG3 GLU 43 HG3 GLU 43 26.560 19.512 -24.620 352 H SER 44 H SER 44 26.971 14.776 -25.705 353 HA SER 44 HA SER 44 24.475 15.265 -27.039 354 HB2 SER 44 HB2 SER 44 24.957 13.374 -28.333 355 HB3 SER 44 HB3 SER 44 26.558 13.993 -27.931 356 HG SER 44 HG SER 44 26.181 12.443 -26.002 357 H TYR 45 H TYR 45 25.537 13.470 -24.258 358 HA TYR 45 HA TYR 45 23.551 11.589 -23.940 359 HB2 TYR 45 HB2 TYR 45 25.414 11.657 -22.422 360 HB3 TYR 45 HB3 TYR 45 24.958 13.259 -21.851 361 HD1 TYR 45 HD1 TYR 45 23.021 10.094 -22.317 362 HD2 TYR 45 HD2 TYR 45 24.324 13.130 -19.636 363 HE1 TYR 45 HE1 TYR 45 21.691 9.069 -20.520 364 HE2 TYR 45 HE2 TYR 45 22.999 12.112 -17.831 365 HH TYR 45 HH TYR 45 22.095 9.752 -17.316 366 H THR 46 H THR 46 23.518 14.889 -22.582 367 HA THR 46 HA THR 46 20.959 14.860 -21.530 368 HB THR 46 HB THR 46 22.360 16.699 -20.982 369 HG1 THR 46 HG1 THR 46 20.962 18.429 -21.450 370 HG21 THR 46 HG21 THR 46 23.728 16.733 -23.008 371 HG22 THR 46 HG22 THR 46 23.123 18.346 -22.633 372 HG23 THR 46 HG23 THR 46 22.375 17.400 -23.921 373 H LYS 47 H LYS 47 22.007 15.622 -24.820 374 HA LYS 47 HA LYS 47 19.579 16.539 -25.843 375 HB2 LYS 47 HB2 LYS 47 21.709 16.725 -27.049 376 HB3 LYS 47 HB3 LYS 47 21.748 14.979 -27.261 377 HG2 LYS 47 HG2 LYS 47 19.384 16.473 -28.267 378 HG3 LYS 47 HG3 LYS 47 20.899 16.576 -29.166 379 HD2 LYS 47 HD2 LYS 47 20.205 13.855 -28.365 380 HD3 LYS 47 HD3 LYS 47 19.009 14.600 -29.429 381 HE2 LYS 47 HE2 LYS 47 21.965 14.567 -30.008 382 HE3 LYS 47 HE3 LYS 47 20.847 13.331 -30.586 383 HZ1 LYS 47 HZ1 LYS 47 20.177 14.653 -32.218 384 HZ2 LYS 47 HZ2 LYS 47 21.441 15.705 -31.821 385 HZ3 LYS 47 HZ3 LYS 47 19.900 15.951 -31.170 386 H VAL 48 H VAL 48 20.558 13.372 -24.935 387 HA VAL 48 HA VAL 48 18.258 12.186 -26.334 388 HB VAL 48 HB VAL 48 20.379 10.589 -24.936 389 HG11 VAL 48 HG11 VAL 48 19.711 9.125 -27.031 390 HG12 VAL 48 HG12 VAL 48 18.736 9.128 -25.560 391 HG13 VAL 48 HG13 VAL 48 18.245 10.101 -26.947 392 HG21 VAL 48 HG21 VAL 48 21.175 10.487 -27.519 393 HG22 VAL 48 HG22 VAL 48 20.648 12.166 -27.404 394 HG23 VAL 48 HG23 VAL 48 21.885 11.554 -26.307 395 H CYS 49 H CYS 49 18.579 13.697 -23.618 396 HA CYS 49 HA CYS 49 17.507 13.678 -21.613 397 HB2 CYS 49 HB2 CYS 49 15.927 11.879 -23.296 398 HB3 CYS 49 HB3 CYS 49 15.790 11.517 -21.579 399 HG CYS 49 HG CYS 49 13.636 13.135 -22.377 400 HA PRO 50 HA PRO 50 19.631 10.894 -18.975 401 HB2 PRO 50 HB2 PRO 50 17.968 10.720 -16.836 402 HB3 PRO 50 HB3 PRO 50 18.912 12.168 -17.204 403 HG2 PRO 50 HG2 PRO 50 16.034 11.586 -17.784 404 HG3 PRO 50 HG3 PRO 50 16.772 13.077 -17.170 405 HD2 PRO 50 HD2 PRO 50 16.069 12.760 -19.766 406 HD3 PRO 50 HD3 PRO 50 17.456 13.750 -19.266 407 H ASN 51 H ASN 51 19.194 9.142 -20.612 408 HA ASN 51 HA ASN 51 18.702 6.965 -21.052 409 HB2 ASN 51 HB2 ASN 51 17.667 6.751 -18.225 410 HB3 ASN 51 HB3 ASN 51 18.328 5.469 -19.235 411 HD21 ASN 51 HD21 ASN 51 20.581 6.703 -20.224 412 HD22 ASN 51 HD22 ASN 51 21.685 6.995 -18.929 413 H ARG 52 H ARG 52 17.093 6.764 -22.465 414 HA ARG 52 HA ARG 52 14.336 6.844 -21.447 415 HB2 ARG 52 HB2 ARG 52 15.006 8.930 -22.746 416 HB3 ARG 52 HB3 ARG 52 15.113 7.895 -24.164 417 HG2 ARG 52 HG2 ARG 52 12.814 7.460 -24.160 418 HG3 ARG 52 HG3 ARG 52 12.620 8.043 -22.506 419 HD2 ARG 52 HD2 ARG 52 11.740 9.675 -24.055 420 HD3 ARG 52 HD3 ARG 52 13.183 10.316 -23.271 421 HE ARG 52 HE ARG 52 13.786 9.054 -25.757 422 HH11 ARG 52 HH11 ARG 52 12.563 11.981 -24.322 423 HH12 ARG 52 HH12 ARG 52 13.040 12.986 -25.650 424 HH21 ARG 52 HH21 ARG 52 14.419 10.367 -27.511 425 HH22 ARG 52 HH22 ARG 52 14.095 12.067 -27.464 426 H CYS 53 H CYS 53 16.162 4.621 -21.967 427 HA CYS 53 HA CYS 53 14.867 3.336 -24.269 428 HB2 CYS 53 HB2 CYS 53 17.374 2.574 -22.755 429 HB3 CYS 53 HB3 CYS 53 16.705 1.674 -24.111 430 HG CYS 53 HG CYS 53 17.074 3.767 -25.949 431 H ASP 54 H ASP 54 16.261 1.987 -21.294 432 HA ASP 54 HA ASP 54 13.891 1.243 -20.037 433 HB2 ASP 54 HB2 ASP 54 14.657 -0.480 -22.269 434 HB3 ASP 54 HB3 ASP 54 14.491 -1.362 -20.753 435 H LEU 55 H LEU 55 16.650 -0.873 -20.763 436 HA LEU 55 HA LEU 55 17.149 -1.444 -18.042 437 HB2 LEU 55 HB2 LEU 55 18.955 -2.733 -18.778 438 HB3 LEU 55 HB3 LEU 55 17.765 -2.831 -20.074 439 HG LEU 55 HG LEU 55 20.095 -0.928 -20.156 440 HD11 LEU 55 HD11 LEU 55 20.250 -3.731 -20.217 441 HD12 LEU 55 HD12 LEU 55 21.502 -2.567 -20.649 442 HD13 LEU 55 HD13 LEU 55 20.410 -3.186 -21.887 443 HD21 LEU 55 HD21 LEU 55 17.909 -1.734 -21.971 444 HD22 LEU 55 HD22 LEU 55 19.503 -1.537 -22.700 445 HD23 LEU 55 HD23 LEU 55 18.761 -0.196 -21.827 446 H ALA 56 H ALA 56 18.458 0.925 -20.272 447 HA ALA 56 HA ALA 56 20.653 1.732 -18.665 448 HB1 ALA 56 HB1 ALA 56 20.864 2.326 -20.896 449 HB2 ALA 56 HB2 ALA 56 19.214 2.943 -20.993 450 HB3 ALA 56 HB3 ALA 56 20.447 3.856 -20.123 451 H THR 57 H THR 57 17.274 2.591 -18.750 452 HA THR 57 HA THR 57 17.588 4.930 -17.093 453 HB THR 57 HB THR 57 15.090 3.429 -17.904 454 HG1 THR 57 HG1 THR 57 16.035 4.401 -19.686 455 HG21 THR 57 HG21 THR 57 13.891 5.452 -17.193 456 HG22 THR 57 HG22 THR 57 15.405 6.139 -16.605 457 HG23 THR 57 HG23 THR 57 14.738 4.694 -15.844 458 H ALA 58 H ALA 58 16.570 1.577 -16.664 459 HA ALA 58 HA ALA 58 15.846 1.917 -13.910 460 HB1 ALA 58 HB1 ALA 58 16.256 -0.784 -14.272 461 HB2 ALA 58 HB2 ALA 58 14.732 0.076 -14.498 462 HB3 ALA 58 HB3 ALA 58 15.789 -0.222 -15.878 463 H ALA 59 H ALA 59 18.658 0.652 -15.646 464 HA ALA 59 HA ALA 59 20.060 -0.214 -13.334 465 HB1 ALA 59 HB1 ALA 59 21.000 0.431 -16.122 466 HB2 ALA 59 HB2 ALA 59 22.038 -0.244 -14.865 467 HB3 ALA 59 HB3 ALA 59 20.646 -1.159 -15.444 468 H ASP 60 H ASP 60 19.853 2.828 -15.054 469 HA ASP 60 HA ASP 60 22.094 4.052 -13.784 470 HB2 ASP 60 HB2 ASP 60 21.282 4.888 -15.919 471 HB3 ASP 60 HB3 ASP 60 19.717 5.267 -15.206 472 H ARG 61 H ARG 61 18.578 4.290 -13.287 473 HA ARG 61 HA ARG 61 18.570 6.108 -11.196 474 HB2 ARG 61 HB2 ARG 61 16.715 4.224 -12.360 475 HB3 ARG 61 HB3 ARG 61 16.533 4.268 -10.612 476 HG2 ARG 61 HG2 ARG 61 15.034 5.866 -11.445 477 HG3 ARG 61 HG3 ARG 61 16.406 6.788 -10.827 478 HD2 ARG 61 HD2 ARG 61 16.463 5.972 -13.680 479 HD3 ARG 61 HD3 ARG 61 15.338 7.249 -13.219 480 HE ARG 61 HE ARG 61 18.032 7.630 -12.267 481 HH11 ARG 61 HH11 ARG 61 15.779 8.185 -14.862 482 HH12 ARG 61 HH12 ARG 61 16.640 9.551 -15.492 483 HH21 ARG 61 HH21 ARG 61 19.175 9.427 -13.086 484 HH22 ARG 61 HH22 ARG 61 18.572 10.255 -14.481 485 H ALA 62 H ALA 62 19.182 2.649 -11.161 486 HA ALA 62 HA ALA 62 19.266 2.529 -8.271 487 HB1 ALA 62 HB1 ALA 62 20.376 0.181 -9.239 488 HB2 ALA 62 HB2 ALA 62 18.696 0.436 -8.766 489 HB3 ALA 62 HB3 ALA 62 19.176 0.628 -10.452 490 H ALA 63 H ALA 63 21.602 2.127 -10.931 491 HA ALA 63 HA ALA 63 23.895 1.722 -9.439 492 HB1 ALA 63 HB1 ALA 63 23.644 3.223 -12.043 493 HB2 ALA 63 HB2 ALA 63 25.135 2.556 -11.377 494 HB3 ALA 63 HB3 ALA 63 23.826 1.478 -11.861 495 H LYS 64 H LYS 64 22.083 4.637 -9.937 496 HA LYS 64 HA LYS 64 24.024 6.563 -9.361 497 HB2 LYS 64 HB2 LYS 64 21.041 6.483 -9.006 498 HB3 LYS 64 HB3 LYS 64 21.973 7.876 -8.475 499 HG2 LYS 64 HG2 LYS 64 22.702 7.142 -11.157 500 HG3 LYS 64 HG3 LYS 64 20.958 7.383 -11.024 501 HD2 LYS 64 HD2 LYS 64 21.813 9.505 -11.543 502 HD3 LYS 64 HD3 LYS 64 21.529 9.553 -9.801 503 HE2 LYS 64 HE2 LYS 64 23.646 10.190 -9.558 504 HE3 LYS 64 HE3 LYS 64 24.126 8.579 -10.089 505 HZ1 LYS 64 HZ1 LYS 64 23.496 10.594 -12.122 506 HZ2 LYS 64 HZ2 LYS 64 24.591 9.306 -12.186 507 HZ3 LYS 64 HZ3 LYS 64 24.979 10.703 -11.316 508 H GLY 65 H GLY 65 22.554 4.224 -7.338 509 HA2 GLY 65 HA2 GLY 65 23.694 3.795 -5.216 510 HA3 GLY 65 HA3 GLY 65 23.768 5.535 -4.986 511 H ALA 66 H ALA 66 20.843 4.430 -6.325 512 HA ALA 66 HA ALA 66 18.702 4.558 -5.532 513 HB1 ALA 66 HB1 ALA 66 19.575 2.325 -4.718 514 HB2 ALA 66 HB2 ALA 66 19.775 3.087 -3.139 515 HB3 ALA 66 HB3 ALA 66 18.172 2.973 -3.867 516 H TYR 67 H TYR 67 19.254 6.941 -5.221 517 HA TYR 67 HA TYR 67 19.915 8.149 -2.856 518 HB2 TYR 67 HB2 TYR 67 18.248 8.916 -5.181 519 HB3 TYR 67 HB3 TYR 67 18.025 9.872 -3.720 520 HD1 TYR 67 HD1 TYR 67 19.910 11.167 -2.788 521 HD2 TYR 67 HD2 TYR 67 20.255 9.078 -6.478 522 HE1 TYR 67 HE1 TYR 67 21.916 12.480 -3.336 523 HE2 TYR 67 HE2 TYR 67 22.264 10.383 -7.036 524 HH TYR 67 HH TYR 67 23.237 12.626 -6.403 525 H GLY 68 H GLY 68 16.509 7.858 -3.876 526 HA2 GLY 68 HA2 GLY 68 14.945 6.662 -2.391 527 HA3 GLY 68 HA3 GLY 68 15.826 7.364 -1.042 528 H TYR 69 H TYR 69 14.003 8.344 -0.165 529 HA TYR 69 HA TYR 69 12.390 9.927 0.124 530 HB2 TYR 69 HB2 TYR 69 14.703 11.218 -1.068 531 HB3 TYR 69 HB3 TYR 69 13.213 12.068 -1.465 532 HD1 TYR 69 HD1 TYR 69 14.401 10.301 1.611 533 HD2 TYR 69 HD2 TYR 69 12.983 13.923 -0.114 534 HE1 TYR 69 HE1 TYR 69 14.420 11.360 3.831 535 HE2 TYR 69 HE2 TYR 69 13.000 14.992 2.100 536 HH TYR 69 HH TYR 69 13.031 13.451 4.886 537 H ASP 70 H ASP 70 10.746 8.777 -0.963 538 HA ASP 70 HA ASP 70 9.902 10.065 -3.455 539 HB2 ASP 70 HB2 ASP 70 11.015 7.566 -3.512 540 HB3 ASP 70 HB3 ASP 70 9.302 7.188 -3.349 541 H VAL 71 H VAL 71 7.940 10.867 -3.164 542 HA VAL 71 HA VAL 71 6.335 10.427 -0.934 543 HB VAL 71 HB VAL 71 6.162 12.380 -2.486 544 HG11 VAL 71 HG11 VAL 71 4.309 10.786 -4.193 545 HG12 VAL 71 HG12 VAL 71 5.197 12.264 -4.568 546 HG13 VAL 71 HG13 VAL 71 6.042 10.717 -4.508 547 HG21 VAL 71 HG21 VAL 71 4.466 12.190 -0.861 548 HG22 VAL 71 HG22 VAL 71 3.623 12.467 -2.386 549 HG23 VAL 71 HG23 VAL 71 3.700 10.843 -1.702 550 H GLN 72 H GLN 72 6.583 8.651 -3.902 551 HA GLN 72 HA GLN 72 5.201 6.420 -2.925 552 HB2 GLN 72 HB2 GLN 72 3.380 8.309 -3.529 553 HB3 GLN 72 HB3 GLN 72 3.543 7.550 -5.107 554 HG2 GLN 72 HG2 GLN 72 2.139 5.977 -4.457 555 HG3 GLN 72 HG3 GLN 72 3.316 5.459 -3.251 556 HE21 GLN 72 HE21 GLN 72 3.190 6.392 -1.136 557 HE22 GLN 72 HE22 GLN 72 1.676 6.964 -0.531 558 H LEU 73 H LEU 73 7.607 6.728 -4.165 559 HA LEU 73 HA LEU 73 8.920 5.999 -5.878 560 HB2 LEU 73 HB2 LEU 73 6.593 4.132 -6.310 561 HB3 LEU 73 HB3 LEU 73 8.227 3.906 -6.930 562 HG LEU 73 HG LEU 73 8.150 2.474 -5.111 563 HD11 LEU 73 HD11 LEU 73 9.937 4.416 -5.054 564 HD12 LEU 73 HD12 LEU 73 9.824 3.226 -3.758 565 HD13 LEU 73 HD13 LEU 73 9.099 4.820 -3.555 566 HD21 LEU 73 HD21 LEU 73 6.928 4.552 -3.324 567 HD22 LEU 73 HD22 LEU 73 7.005 2.804 -3.100 568 HD23 LEU 73 HD23 LEU 73 5.935 3.490 -4.324 569 H THR 74 H THR 74 7.383 8.250 -6.518 570 HA THR 74 HA THR 74 6.140 7.910 -9.082 571 HB THR 74 HB THR 74 7.030 10.470 -7.740 572 HG1 THR 74 HG1 THR 74 4.388 9.451 -7.797 573 HG21 THR 74 HG21 THR 74 4.918 11.166 -9.233 574 HG22 THR 74 HG22 THR 74 5.536 9.844 -10.221 575 HG23 THR 74 HG23 THR 74 6.573 11.219 -9.839 576 H THR 75 H THR 75 9.341 8.492 -7.947 577 HA THR 75 HA THR 75 10.440 9.800 -10.179 578 HB THR 75 HB THR 75 12.611 9.091 -9.370 579 HG1 THR 75 HG1 THR 75 12.408 6.996 -8.785 580 HG21 THR 75 HG21 THR 75 11.762 9.443 -6.714 581 HG22 THR 75 HG22 THR 75 10.616 10.334 -7.716 582 HG23 THR 75 HG23 THR 75 12.342 10.680 -7.830 583 H LEU 76 H LEU 76 10.278 6.341 -9.365 584 HA LEU 76 HA LEU 76 11.508 5.511 -11.808 585 HB2 LEU 76 HB2 LEU 76 10.408 4.252 -9.412 586 HB3 LEU 76 HB3 LEU 76 10.146 3.318 -10.883 587 HG LEU 76 HG LEU 76 12.796 3.928 -11.087 588 HD11 LEU 76 HD11 LEU 76 13.436 3.067 -8.626 589 HD12 LEU 76 HD12 LEU 76 12.024 4.051 -8.243 590 HD13 LEU 76 HD13 LEU 76 13.398 4.770 -9.083 591 HD21 LEU 76 HD21 LEU 76 12.640 1.737 -11.424 592 HD22 LEU 76 HD22 LEU 76 11.150 1.638 -10.486 593 HD23 LEU 76 HD23 LEU 76 12.712 1.526 -9.674 594 H LYS 77 H LYS 77 8.179 5.688 -10.625 595 HA LYS 77 HA LYS 77 6.945 4.458 -12.832 596 HB2 LYS 77 HB2 LYS 77 6.123 5.665 -10.422 597 HB3 LYS 77 HB3 LYS 77 5.276 6.519 -11.706 598 HG2 LYS 77 HG2 LYS 77 3.933 4.685 -10.910 599 HG3 LYS 77 HG3 LYS 77 4.452 4.370 -12.567 600 HD2 LYS 77 HD2 LYS 77 4.661 2.357 -11.229 601 HD3 LYS 77 HD3 LYS 77 6.259 2.935 -11.707 602 HE2 LYS 77 HE2 LYS 77 5.516 4.137 -9.220 603 HE3 LYS 77 HE3 LYS 77 5.304 2.391 -9.108 604 HZ1 LYS 77 HZ1 LYS 77 7.776 3.865 -9.819 605 HZ2 LYS 77 HZ2 LYS 77 7.606 2.193 -10.020 606 HZ3 LYS 77 HZ3 LYS 77 7.515 2.873 -8.474 607 H GLU 78 H GLU 78 7.848 7.808 -12.199 608 HA GLU 78 HA GLU 78 6.590 8.845 -14.549 609 HB2 GLU 78 HB2 GLU 78 7.057 10.215 -12.532 610 HB3 GLU 78 HB3 GLU 78 8.778 10.073 -12.863 611 HG2 GLU 78 HG2 GLU 78 8.715 11.543 -14.586 612 HG3 GLU 78 HG3 GLU 78 7.065 11.118 -15.037 613 H ASP 79 H ASP 79 9.647 7.395 -13.832 614 HA ASP 79 HA ASP 79 11.016 8.405 -16.144 615 HB2 ASP 79 HB2 ASP 79 11.619 6.507 -13.945 616 HB3 ASP 79 HB3 ASP 79 12.495 6.264 -15.453 617 H ILE 80 H ILE 80 9.603 5.264 -15.251 618 HA ILE 80 HA ILE 80 10.158 3.955 -17.672 619 HB ILE 80 HB ILE 80 9.523 2.696 -15.705 620 HG12 ILE 80 HG12 ILE 80 7.834 1.196 -16.711 621 HG13 ILE 80 HG13 ILE 80 7.475 2.427 -17.917 622 HG21 ILE 80 HG21 ILE 80 7.349 2.755 -14.727 623 HG22 ILE 80 HG22 ILE 80 7.926 4.417 -14.842 624 HG23 ILE 80 HG23 ILE 80 6.743 3.812 -16.002 625 HD11 ILE 80 HD11 ILE 80 10.272 1.941 -17.936 626 HD12 ILE 80 HD12 ILE 80 9.427 0.395 -18.006 627 HD13 ILE 80 HD13 ILE 80 9.084 1.642 -19.205 628 H ARG 81 H ARG 81 7.348 5.830 -16.617 629 HA ARG 81 HA ARG 81 5.778 5.335 -18.924 630 HB2 ARG 81 HB2 ARG 81 4.289 6.970 -18.089 631 HB3 ARG 81 HB3 ARG 81 4.980 6.197 -16.668 632 HG2 ARG 81 HG2 ARG 81 6.513 8.066 -16.380 633 HG3 ARG 81 HG3 ARG 81 5.852 8.837 -17.823 634 HD2 ARG 81 HD2 ARG 81 4.335 8.197 -15.296 635 HD3 ARG 81 HD3 ARG 81 4.897 9.794 -15.790 636 HE ARG 81 HE ARG 81 3.330 8.860 -17.859 637 HH11 ARG 81 HH11 ARG 81 2.920 9.574 -14.476 638 HH12 ARG 81 HH12 ARG 81 1.248 10.000 -14.635 639 HH21 ARG 81 HH21 ARG 81 1.130 9.417 -18.081 640 HH22 ARG 81 HH22 ARG 81 0.230 9.909 -16.686 641 H LEU 82 H LEU 82 8.239 7.690 -18.137 642 HA LEU 82 HA LEU 82 7.736 9.556 -20.173 643 HB2 LEU 82 HB2 LEU 82 9.233 9.956 -18.268 644 HB3 LEU 82 HB3 LEU 82 10.375 8.790 -18.931 645 HG LEU 82 HG LEU 82 10.849 11.295 -19.251 646 HD11 LEU 82 HD11 LEU 82 11.844 9.240 -20.461 647 HD12 LEU 82 HD12 LEU 82 12.079 10.841 -21.160 648 HD13 LEU 82 HD13 LEU 82 10.850 9.763 -21.821 649 HD21 LEU 82 HD21 LEU 82 9.675 12.515 -20.784 650 HD22 LEU 82 HD22 LEU 82 8.375 11.512 -20.141 651 HD23 LEU 82 HD23 LEU 82 9.137 11.090 -21.675 652 H MET 83 H MET 83 9.706 6.617 -20.127 653 HA MET 83 HA MET 83 10.850 6.913 -22.679 654 HB2 MET 83 HB2 MET 83 10.193 4.305 -21.306 655 HB3 MET 83 HB3 MET 83 11.430 4.582 -22.525 656 HG2 MET 83 HG2 MET 83 12.572 6.103 -20.918 657 HG3 MET 83 HG3 MET 83 11.396 5.614 -19.701 658 HE1 MET 83 HE1 MET 83 11.957 1.927 -19.224 659 HE2 MET 83 HE2 MET 83 10.733 3.067 -19.786 660 HE3 MET 83 HE3 MET 83 11.593 2.054 -20.946 661 H VAL 84 H VAL 84 8.044 4.966 -21.651 662 HA VAL 84 HA VAL 84 7.298 4.122 -24.223 663 HB VAL 84 HB VAL 84 6.437 3.011 -22.246 664 HG11 VAL 84 HG11 VAL 84 4.802 4.031 -20.784 665 HG12 VAL 84 HG12 VAL 84 6.265 5.017 -20.817 666 HG13 VAL 84 HG13 VAL 84 4.842 5.518 -21.731 667 HG21 VAL 84 HG21 VAL 84 4.425 2.461 -23.153 668 HG22 VAL 84 HG22 VAL 84 3.943 4.142 -23.379 669 HG23 VAL 84 HG23 VAL 84 5.075 3.390 -24.504 670 H ASN 85 H ASN 85 6.713 7.082 -22.490 671 HA ASN 85 HA ASN 85 4.514 8.023 -23.988 672 HB2 ASN 85 HB2 ASN 85 6.592 9.334 -22.264 673 HB3 ASN 85 HB3 ASN 85 5.473 10.322 -23.199 674 HD21 ASN 85 HD21 ASN 85 5.749 10.057 -20.319 675 HD22 ASN 85 HD22 ASN 85 4.210 9.536 -19.733 676 H ASN 86 H ASN 86 8.011 8.531 -24.337 677 HA ASN 86 HA ASN 86 7.757 10.181 -26.653 678 HB2 ASN 86 HB2 ASN 86 9.756 9.788 -24.894 679 HB3 ASN 86 HB3 ASN 86 10.294 8.715 -26.183 680 HD21 ASN 86 HD21 ASN 86 9.042 11.995 -25.696 681 HD22 ASN 86 HD22 ASN 86 10.063 12.743 -26.873 682 H CYS 87 H CYS 87 8.152 6.753 -26.078 683 HA CYS 87 HA CYS 87 8.906 5.996 -28.688 684 HB2 CYS 87 HB2 CYS 87 7.520 4.480 -26.474 685 HB3 CYS 87 HB3 CYS 87 8.009 3.732 -27.989 686 HG CYS 87 HG CYS 87 9.849 3.056 -25.983 687 H ILE 88 H ILE 88 5.738 5.446 -27.143 688 HA ILE 88 HA ILE 88 4.335 4.843 -29.455 689 HB ILE 88 HB ILE 88 2.296 5.371 -28.236 690 HG12 ILE 88 HG12 ILE 88 3.047 6.143 -25.704 691 HG13 ILE 88 HG13 ILE 88 4.132 7.086 -26.721 692 HG21 ILE 88 HG21 ILE 88 3.765 4.249 -25.989 693 HG22 ILE 88 HG22 ILE 88 2.504 3.532 -26.989 694 HG23 ILE 88 HG23 ILE 88 4.182 3.498 -27.529 695 HD11 ILE 88 HD11 ILE 88 2.512 8.515 -27.169 696 HD12 ILE 88 HD12 ILE 88 1.491 7.218 -27.790 697 HD13 ILE 88 HD13 ILE 88 1.456 7.624 -26.073 698 H LEU 89 H LEU 89 5.247 7.944 -28.145 699 HA LEU 89 HA LEU 89 3.479 9.482 -29.792 700 HB2 LEU 89 HB2 LEU 89 4.346 10.303 -27.645 701 HB3 LEU 89 HB3 LEU 89 5.975 10.315 -28.318 702 HG LEU 89 HG LEU 89 3.848 11.940 -29.638 703 HD11 LEU 89 HD11 LEU 89 4.658 13.830 -28.107 704 HD12 LEU 89 HD12 LEU 89 5.176 12.543 -27.020 705 HD13 LEU 89 HD13 LEU 89 3.476 12.690 -27.463 706 HD21 LEU 89 HD21 LEU 89 5.577 12.794 -30.747 707 HD22 LEU 89 HD22 LEU 89 6.567 11.525 -30.027 708 HD23 LEU 89 HD23 LEU 89 6.466 13.107 -29.255 709 H PHE 90 H PHE 90 6.914 8.619 -29.920 710 HA PHE 90 HA PHE 90 7.727 10.116 -32.084 711 HB2 PHE 90 HB2 PHE 90 9.150 8.604 -30.639 712 HB3 PHE 90 HB3 PHE 90 8.574 7.256 -31.614 713 HD1 PHE 90 HD1 PHE 90 10.658 10.262 -31.567 714 HD2 PHE 90 HD2 PHE 90 9.327 6.945 -33.879 715 HE1 PHE 90 HE1 PHE 90 12.444 10.690 -33.204 716 HE2 PHE 90 HE2 PHE 90 11.111 7.367 -35.519 717 HZ PHE 90 HZ PHE 90 12.673 9.241 -35.183 718 H ASN 91 H ASN 91 5.709 7.282 -32.024 719 HA ASN 91 HA ASN 91 4.749 7.715 -34.643 720 HB2 ASN 91 HB2 ASN 91 7.103 6.660 -34.978 721 HB3 ASN 91 HB3 ASN 91 6.326 5.164 -34.468 722 HD21 ASN 91 HD21 ASN 91 4.279 4.638 -35.659 723 HD22 ASN 91 HD22 ASN 91 4.269 4.924 -37.362 724 H GLY 92 H GLY 92 5.234 5.442 -31.995 725 HA2 GLY 92 HA2 GLY 92 3.057 4.838 -30.890 726 HA3 GLY 92 HA3 GLY 92 2.521 4.385 -32.502 727 H ALA 93 H ALA 93 5.782 3.750 -31.479 728 HA ALA 93 HA ALA 93 5.401 1.171 -30.407 729 HB1 ALA 93 HB1 ALA 93 6.253 1.158 -33.298 730 HB2 ALA 93 HB2 ALA 93 6.038 -0.240 -32.243 731 HB3 ALA 93 HB3 ALA 93 4.642 0.722 -32.729 732 H GLU 94 H GLU 94 7.519 3.242 -32.342 733 HA GLU 94 HA GLU 94 9.720 3.779 -32.147 734 HB2 GLU 94 HB2 GLU 94 8.918 4.134 -29.737 735 HB3 GLU 94 HB3 GLU 94 9.670 2.585 -29.384 736 HG2 GLU 94 HG2 GLU 94 11.401 4.450 -30.821 737 HG3 GLU 94 HG3 GLU 94 10.899 5.007 -29.225 738 H GLY 95 H GLY 95 8.698 0.903 -32.708 739 HA2 GLY 95 HA2 GLY 95 10.198 -0.633 -33.852 740 HA3 GLY 95 HA3 GLY 95 11.380 -0.323 -32.590 741 H ALA 96 H ALA 96 8.558 -0.478 -30.988 742 HA ALA 96 HA ALA 96 7.807 -3.159 -30.964 743 HB1 ALA 96 HB1 ALA 96 10.222 -2.541 -29.368 744 HB2 ALA 96 HB2 ALA 96 9.009 -3.582 -28.622 745 HB3 ALA 96 HB3 ALA 96 9.736 -4.040 -30.162 746 H TYR 97 H TYR 97 5.980 -1.576 -30.802 747 HA TYR 97 HA TYR 97 5.394 0.001 -28.624 748 HB2 TYR 97 HB2 TYR 97 3.110 -0.111 -29.278 749 HB3 TYR 97 HB3 TYR 97 4.051 -0.256 -30.758 750 HD1 TYR 97 HD1 TYR 97 4.391 -2.569 -31.744 751 HD2 TYR 97 HD2 TYR 97 1.568 -1.776 -28.661 752 HE1 TYR 97 HE1 TYR 97 3.213 -4.657 -32.293 753 HE2 TYR 97 HE2 TYR 97 0.384 -3.863 -29.200 754 HH TYR 97 HH TYR 97 0.995 -5.642 -32.038 755 H ALA 98 H ALA 98 5.335 -3.467 -28.881 756 HA ALA 98 HA ALA 98 3.781 -3.951 -26.535 757 HB1 ALA 98 HB1 ALA 98 5.664 -6.052 -27.327 758 HB2 ALA 98 HB2 ALA 98 3.913 -6.111 -27.122 759 HB3 ALA 98 HB3 ALA 98 4.604 -5.494 -28.622 760 H ASP 99 H ASP 99 7.241 -3.756 -27.228 761 HA ASP 99 HA ASP 99 8.271 -4.677 -24.828 762 HB2 ASP 99 HB2 ASP 99 9.237 -2.688 -26.852 763 HB3 ASP 99 HB3 ASP 99 10.139 -2.914 -25.355 764 H ALA 100 H ALA 100 7.220 -1.396 -25.677 765 HA ALA 100 HA ALA 100 7.889 -0.240 -23.173 766 HB1 ALA 100 HB1 ALA 100 7.229 1.694 -24.100 767 HB2 ALA 100 HB2 ALA 100 7.171 0.757 -25.594 768 HB3 ALA 100 HB3 ALA 100 5.698 1.021 -24.661 769 H ALA 101 H ALA 101 5.021 -1.823 -24.431 770 HA ALA 101 HA ALA 101 3.281 -1.056 -22.312 771 HB1 ALA 101 HB1 ALA 101 2.840 -3.560 -23.868 772 HB2 ALA 101 HB2 ALA 101 1.680 -2.341 -23.341 773 HB3 ALA 101 HB3 ALA 101 2.758 -2.005 -24.696 774 H ARG 102 H ARG 102 5.325 -3.875 -22.919 775 HA ARG 102 HA ARG 102 4.439 -5.367 -20.673 776 HB2 ARG 102 HB2 ARG 102 5.757 -6.134 -22.787 777 HB3 ARG 102 HB3 ARG 102 7.177 -5.669 -21.861 778 HG2 ARG 102 HG2 ARG 102 6.784 -8.026 -21.609 779 HG3 ARG 102 HG3 ARG 102 6.481 -7.214 -20.071 780 HD2 ARG 102 HD2 ARG 102 4.111 -7.325 -20.410 781 HD3 ARG 102 HD3 ARG 102 4.327 -7.926 -22.053 782 HE ARG 102 HE ARG 102 4.451 -9.448 -19.620 783 HH11 ARG 102 HH11 ARG 102 5.470 -9.281 -22.945 784 HH12 ARG 102 HH12 ARG 102 5.706 -10.991 -23.094 785 HH21 ARG 102 HH21 ARG 102 4.758 -11.701 -19.804 786 HH22 ARG 102 HH22 ARG 102 5.300 -12.366 -21.308 787 H THR 103 H THR 103 7.375 -3.428 -21.234 788 HA THR 103 HA THR 103 8.476 -3.722 -18.679 789 HB THR 103 HB THR 103 9.755 -2.824 -20.574 790 HG1 THR 103 HG1 THR 103 10.962 -1.854 -19.137 791 HG21 THR 103 HG21 THR 103 9.396 -0.717 -21.521 792 HG22 THR 103 HG22 THR 103 8.371 -0.188 -20.187 793 HG23 THR 103 HG23 THR 103 7.769 -1.374 -21.346 794 H PHE 104 H PHE 104 6.065 -1.490 -19.916 795 HA PHE 104 HA PHE 104 6.047 0.348 -17.803 796 HB2 PHE 104 HB2 PHE 104 4.888 0.902 -19.819 797 HB3 PHE 104 HB3 PHE 104 3.874 -0.533 -19.704 798 HD1 PHE 104 HD1 PHE 104 4.740 2.383 -17.536 799 HD2 PHE 104 HD2 PHE 104 1.701 -0.141 -19.120 800 HE1 PHE 104 HE1 PHE 104 3.034 3.691 -16.338 801 HE2 PHE 104 HE2 PHE 104 -0.010 1.163 -17.926 802 HZ PHE 104 HZ PHE 104 0.656 3.081 -16.531 803 H GLU 105 H GLU 105 3.626 -2.213 -18.365 804 HA GLU 105 HA GLU 105 2.503 -2.085 -15.804 805 HB2 GLU 105 HB2 GLU 105 2.437 -4.029 -18.052 806 HB3 GLU 105 HB3 GLU 105 1.909 -4.606 -16.478 807 HG2 GLU 105 HG2 GLU 105 0.315 -2.705 -16.380 808 HG3 GLU 105 HG3 GLU 105 0.778 -2.290 -18.029 809 H LYS 106 H LYS 106 5.238 -3.881 -17.051 810 HA LYS 106 HA LYS 106 5.544 -5.678 -14.896 811 HB2 LYS 106 HB2 LYS 106 6.640 -5.979 -17.084 812 HB3 LYS 106 HB3 LYS 106 7.650 -4.576 -16.766 813 HG2 LYS 106 HG2 LYS 106 8.839 -6.672 -16.368 814 HG3 LYS 106 HG3 LYS 106 8.689 -5.712 -14.894 815 HD2 LYS 106 HD2 LYS 106 7.537 -7.321 -13.861 816 HD3 LYS 106 HD3 LYS 106 6.452 -7.526 -15.239 817 HE2 LYS 106 HE2 LYS 106 9.191 -8.574 -15.571 818 HE3 LYS 106 HE3 LYS 106 8.181 -9.413 -14.395 819 HZ1 LYS 106 HZ1 LYS 106 8.003 -10.367 -16.625 820 HZ2 LYS 106 HZ2 LYS 106 7.429 -8.891 -17.221 821 HZ3 LYS 106 HZ3 LYS 106 6.518 -9.758 -16.089 822 H PHE 107 H PHE 107 7.045 -2.528 -15.573 823 HA PHE 107 HA PHE 107 8.757 -2.348 -13.422 824 HB2 PHE 107 HB2 PHE 107 7.455 -0.469 -15.240 825 HB3 PHE 107 HB3 PHE 107 7.774 0.229 -13.656 826 HD1 PHE 107 HD1 PHE 107 9.549 -1.960 -16.108 827 HD2 PHE 107 HD2 PHE 107 9.748 1.363 -13.454 828 HE1 PHE 107 HE1 PHE 107 11.896 -1.593 -16.749 829 HE2 PHE 107 HE2 PHE 107 12.095 1.735 -14.092 830 HZ PHE 107 HZ PHE 107 13.172 0.258 -15.741 831 H ALA 108 H ALA 108 5.338 -1.380 -13.547 832 HA ALA 108 HA ALA 108 5.074 -0.398 -10.968 833 HB1 ALA 108 HB1 ALA 108 3.364 -0.251 -12.770 834 HB2 ALA 108 HB2 ALA 108 2.964 -1.942 -12.465 835 HB3 ALA 108 HB3 ALA 108 2.714 -0.736 -11.203 836 H MET 109 H MET 109 4.663 -3.732 -12.129 837 HA MET 109 HA MET 109 3.893 -4.880 -9.699 838 HB2 MET 109 HB2 MET 109 3.808 -5.957 -11.975 839 HB3 MET 109 HB3 MET 109 5.539 -6.231 -11.839 840 HG2 MET 109 HG2 MET 109 4.879 -8.220 -11.039 841 HG3 MET 109 HG3 MET 109 4.735 -7.321 -9.530 842 HE1 MET 109 HE1 MET 109 1.682 -10.017 -10.257 843 HE2 MET 109 HE2 MET 109 3.135 -10.011 -11.256 844 HE3 MET 109 HE3 MET 109 3.273 -9.905 -9.501 845 H GLY 110 H GLY 110 7.125 -4.470 -11.119 846 HA2 GLY 110 HA2 GLY 110 8.584 -5.791 -9.129 847 HA3 GLY 110 HA3 GLY 110 9.213 -4.523 -10.169 848 H LYS 111 H LYS 111 7.436 -2.461 -9.292 849 HA LYS 111 HA LYS 111 8.894 -1.394 -7.167 850 HB2 LYS 111 HB2 LYS 111 7.561 -0.035 -8.724 851 HB3 LYS 111 HB3 LYS 111 6.083 -0.701 -8.043 852 HG2 LYS 111 HG2 LYS 111 7.394 0.280 -5.834 853 HG3 LYS 111 HG3 LYS 111 7.769 1.464 -7.089 854 HD2 LYS 111 HD2 LYS 111 5.764 2.358 -6.717 855 HD3 LYS 111 HD3 LYS 111 5.060 0.901 -7.423 856 HE2 LYS 111 HE2 LYS 111 5.872 0.779 -4.575 857 HE3 LYS 111 HE3 LYS 111 4.457 1.754 -4.967 858 HZ1 LYS 111 HZ1 LYS 111 3.381 -0.118 -5.905 859 HZ2 LYS 111 HZ2 LYS 111 3.991 -0.618 -4.408 860 HZ3 LYS 111 HZ3 LYS 111 4.782 -1.063 -5.835 861 H ILE 112 H ILE 112 5.685 -2.927 -7.152 862 HA ILE 112 HA ILE 112 5.161 -2.660 -4.421 863 HB ILE 112 HB ILE 112 4.271 -4.909 -6.229 864 HG12 ILE 112 HG12 ILE 112 2.811 -2.345 -5.577 865 HG13 ILE 112 HG13 ILE 112 3.773 -2.566 -7.034 866 HG21 ILE 112 HG21 ILE 112 3.386 -5.736 -4.360 867 HG22 ILE 112 HG22 ILE 112 3.764 -4.276 -3.447 868 HG23 ILE 112 HG23 ILE 112 2.277 -4.365 -4.391 869 HD11 ILE 112 HD11 ILE 112 1.733 -3.096 -7.857 870 HD12 ILE 112 HD12 ILE 112 2.215 -4.692 -7.283 871 HD13 ILE 112 HD13 ILE 112 1.137 -3.692 -6.308 872 H ASP 113 H ASP 113 6.966 -5.106 -6.196 873 HA ASP 113 HA ASP 113 7.245 -7.008 -4.166 874 HB2 ASP 113 HB2 ASP 113 8.659 -6.355 -6.680 875 HB3 ASP 113 HB3 ASP 113 9.587 -7.277 -5.500 876 H ALA 114 H ALA 114 9.279 -4.216 -4.981 877 HA ALA 114 HA ALA 114 11.256 -4.657 -3.029 878 HB1 ALA 114 HB1 ALA 114 11.951 -2.392 -3.434 879 HB2 ALA 114 HB2 ALA 114 11.488 -3.128 -4.969 880 HB3 ALA 114 HB3 ALA 114 10.394 -2.001 -4.166 881 H TYR 115 H TYR 115 8.212 -2.865 -2.940 882 HA TYR 115 HA TYR 115 8.463 -1.531 -0.541 883 HB2 TYR 115 HB2 TYR 115 6.541 -1.128 -1.898 884 HB3 TYR 115 HB3 TYR 115 6.046 -2.815 -1.815 885 HD1 TYR 115 HD1 TYR 115 7.138 -0.583 0.955 886 HD2 TYR 115 HD2 TYR 115 3.926 -2.723 -0.836 887 HE1 TYR 115 HE1 TYR 115 5.720 -0.066 2.896 888 HE2 TYR 115 HE2 TYR 115 2.498 -2.211 1.100 889 HH TYR 115 HH TYR 115 2.338 -0.618 2.900 890 H ILE 116 H ILE 116 7.301 -4.850 -1.063 891 HA ILE 116 HA ILE 116 6.783 -5.459 1.626 892 HB ILE 116 HB ILE 116 7.620 -7.351 -0.576 893 HG12 ILE 116 HG12 ILE 116 4.832 -6.676 0.375 894 HG13 ILE 116 HG13 ILE 116 5.589 -5.920 -1.022 895 HG21 ILE 116 HG21 ILE 116 6.768 -7.739 2.221 896 HG22 ILE 116 HG22 ILE 116 6.024 -8.802 1.028 897 HG23 ILE 116 HG23 ILE 116 7.779 -8.751 1.189 898 HD11 ILE 116 HD11 ILE 116 5.352 -7.757 -2.315 899 HD12 ILE 116 HD12 ILE 116 5.535 -8.873 -0.962 900 HD13 ILE 116 HD13 ILE 116 4.002 -8.037 -1.215 901 H SER 117 H SER 117 9.696 -5.925 -0.344 902 HA SER 117 HA SER 117 11.236 -7.303 1.529 903 HB2 SER 117 HB2 SER 117 11.940 -5.496 -0.770 904 HB3 SER 117 HB3 SER 117 13.198 -6.184 0.256 905 HG SER 117 HG SER 117 11.206 -7.808 -0.906 906 H GLN 118 H GLN 118 10.379 -3.951 1.332 907 HA GLN 118 HA GLN 118 11.939 -3.449 3.772 908 HB2 GLN 118 HB2 GLN 118 12.317 -1.112 2.926 909 HB3 GLN 118 HB3 GLN 118 13.188 -2.366 2.053 910 HG2 GLN 118 HG2 GLN 118 10.683 -1.991 0.780 911 HG3 GLN 118 HG3 GLN 118 11.412 -0.407 1.042 912 HE21 GLN 118 HE21 GLN 118 12.857 -3.564 0.353 913 HE22 GLN 118 HE22 GLN 118 13.671 -3.072 -1.089 914 H LYS 119 H LYS 119 10.183 -3.602 5.122 915 HA LYS 119 HA LYS 119 8.162 -1.485 4.809 916 HB2 LYS 119 HB2 LYS 119 7.769 -4.356 4.956 917 HB3 LYS 119 HB3 LYS 119 6.925 -3.528 6.257 918 HG2 LYS 119 HG2 LYS 119 6.266 -1.975 4.131 919 HG3 LYS 119 HG3 LYS 119 6.381 -3.569 3.380 920 HD2 LYS 119 HD2 LYS 119 4.937 -3.453 5.951 921 HD3 LYS 119 HD3 LYS 119 4.159 -2.638 4.591 922 HE2 LYS 119 HE2 LYS 119 5.014 -5.038 3.519 923 HE3 LYS 119 HE3 LYS 119 4.473 -5.477 5.138 924 HZ1 LYS 119 HZ1 LYS 119 2.781 -5.459 3.220 925 HZ2 LYS 119 HZ2 LYS 119 2.788 -3.778 3.418 926 HZ3 LYS 119 HZ3 LYS 119 2.330 -4.779 4.702 927 H VAL 120 H VAL 120 9.635 -3.774 7.100 928 HA VAL 120 HA VAL 120 8.813 -2.392 9.430 929 HB VAL 120 HB VAL 120 9.527 -4.770 9.415 930 HG11 VAL 120 HG11 VAL 120 12.351 -3.740 9.330 931 HG12 VAL 120 HG12 VAL 120 11.795 -5.413 9.259 932 HG13 VAL 120 HG13 VAL 120 11.506 -4.327 7.899 933 HG21 VAL 120 HG21 VAL 120 10.014 -4.656 11.605 934 HG22 VAL 120 HG22 VAL 120 11.416 -3.620 11.338 935 HG23 VAL 120 HG23 VAL 120 9.799 -2.918 11.393 936 H GLY 121 H GLY 121 11.151 -1.660 7.103 937 HA2 GLY 121 HA2 GLY 121 13.056 -0.362 8.808 938 HA3 GLY 121 HA3 GLY 121 12.963 -0.230 7.058 939 H GLY 122 H GLY 122 10.004 0.531 7.523 940 HA2 GLY 122 HA2 GLY 122 9.233 2.621 8.799 941 HA3 GLY 122 HA3 GLY 122 10.587 3.384 7.976 942 H LEU 123 H LEU 123 9.526 1.185 5.835 943 HA LEU 123 HA LEU 123 8.070 3.195 4.329 944 HB2 LEU 123 HB2 LEU 123 9.886 1.352 3.582 945 HB3 LEU 123 HB3 LEU 123 8.398 0.473 3.236 946 HG LEU 123 HG LEU 123 9.178 1.561 1.235 947 HD11 LEU 123 HD11 LEU 123 6.675 1.568 2.007 948 HD12 LEU 123 HD12 LEU 123 7.172 2.439 0.557 949 HD13 LEU 123 HD13 LEU 123 6.918 3.314 2.067 950 HD21 LEU 123 HD21 LEU 123 8.791 4.284 2.352 951 HD22 LEU 123 HD22 LEU 123 9.859 3.727 1.064 952 HD23 LEU 123 HD23 LEU 123 10.285 3.434 2.751 953 H GLU 124 H GLU 124 7.451 0.287 6.113 954 HA GLU 124 HA GLU 124 5.081 -0.621 5.051 955 HB2 GLU 124 HB2 GLU 124 4.566 -1.521 7.247 956 HB3 GLU 124 HB3 GLU 124 6.281 -1.712 6.908 957 HG2 GLU 124 HG2 GLU 124 6.724 0.311 8.268 958 HG3 GLU 124 HG3 GLU 124 5.012 0.357 8.686 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -0.801 3.428 -3.624 2 HA MET 1 HA MET 1 -0.461 1.703 -2.117 3 HB2 MET 1 HB2 MET 1 1.128 1.506 -4.495 4 HB3 MET 1 HB3 MET 1 1.985 0.738 -3.165 5 HG2 MET 1 HG2 MET 1 0.750 -0.999 -4.029 6 HG3 MET 1 HG3 MET 1 -0.266 -0.437 -2.704 7 HE1 MET 1 HE1 MET 1 -3.183 -1.232 -4.456 8 HE2 MET 1 HE2 MET 1 -2.228 -1.057 -2.983 9 HE3 MET 1 HE3 MET 1 -3.222 0.283 -3.553 10 H SER 2 H SER 2 2.892 2.705 -2.787 11 HA SER 2 HA SER 2 3.853 2.093 -0.230 12 HB2 SER 2 HB2 SER 2 4.940 4.062 -2.259 13 HB3 SER 2 HB3 SER 2 5.825 3.463 -0.856 14 HG SER 2 HG SER 2 5.368 1.305 -1.795 15 H GLN 3 H GLN 3 5.185 4.147 0.844 16 HA GLN 3 HA GLN 3 3.033 5.787 1.925 17 HB2 GLN 3 HB2 GLN 3 5.333 4.580 3.015 18 HB3 GLN 3 HB3 GLN 3 5.603 6.315 3.110 19 HG2 GLN 3 HG2 GLN 3 3.098 6.223 4.031 20 HG3 GLN 3 HG3 GLN 3 3.640 4.617 4.514 21 HE21 GLN 3 HE21 GLN 3 4.834 7.961 4.517 22 HE22 GLN 3 HE22 GLN 3 5.499 7.902 6.110 23 H ASN 4 H ASN 4 3.296 8.085 2.230 24 HA ASN 4 HA ASN 4 4.917 9.306 0.095 25 HB2 ASN 4 HB2 ASN 4 3.251 11.186 0.210 26 HB3 ASN 4 HB3 ASN 4 2.584 9.653 -0.346 27 HD21 ASN 4 HD21 ASN 4 2.159 12.210 1.715 28 HD22 ASN 4 HD22 ASN 4 1.006 11.507 2.792 29 H ARG 5 H ARG 5 6.632 9.136 1.829 30 HA ARG 5 HA ARG 5 6.844 11.708 3.135 31 HB2 ARG 5 HB2 ARG 5 5.675 10.208 4.785 32 HB3 ARG 5 HB3 ARG 5 7.117 9.200 4.796 33 HG2 ARG 5 HG2 ARG 5 8.386 11.297 5.474 34 HG3 ARG 5 HG3 ARG 5 6.804 12.015 5.781 35 HD2 ARG 5 HD2 ARG 5 6.647 10.968 7.735 36 HD3 ARG 5 HD3 ARG 5 6.955 9.408 6.973 37 HE ARG 5 HE ARG 5 9.400 10.698 7.197 38 HH11 ARG 5 HH11 ARG 5 6.916 9.473 9.306 39 HH12 ARG 5 HH12 ARG 5 8.008 9.125 10.605 40 HH21 ARG 5 HH21 ARG 5 10.848 10.244 8.900 41 HH22 ARG 5 HH22 ARG 5 10.245 9.564 10.374 42 H GLN 6 H GLN 6 8.462 8.576 3.631 43 HA GLN 6 HA GLN 6 10.877 9.693 2.387 44 HB2 GLN 6 HB2 GLN 6 12.240 9.238 4.176 45 HB3 GLN 6 HB3 GLN 6 10.756 9.652 5.024 46 HG2 GLN 6 HG2 GLN 6 11.791 6.888 4.441 47 HG3 GLN 6 HG3 GLN 6 11.730 7.692 6.009 48 HE21 GLN 6 HE21 GLN 6 10.439 5.231 4.672 49 HE22 GLN 6 HE22 GLN 6 8.782 5.355 5.144 50 H LEU 7 H LEU 7 12.381 8.112 1.599 51 HA LEU 7 HA LEU 7 11.096 5.524 1.026 52 HB2 LEU 7 HB2 LEU 7 12.681 7.404 -0.607 53 HB3 LEU 7 HB3 LEU 7 13.020 5.692 -0.850 54 HG LEU 7 HG LEU 7 11.307 6.854 -2.384 55 HD11 LEU 7 HD11 LEU 7 11.208 4.208 -1.086 56 HD12 LEU 7 HD12 LEU 7 11.320 4.636 -2.793 57 HD13 LEU 7 HD13 LEU 7 9.762 4.699 -1.969 58 HD21 LEU 7 HD21 LEU 7 9.204 7.317 -1.622 59 HD22 LEU 7 HD22 LEU 7 10.140 7.723 -0.183 60 HD23 LEU 7 HD23 LEU 7 9.312 6.169 -0.286 61 H LEU 8 H LEU 8 12.003 3.785 1.890 62 HA LEU 8 HA LEU 8 14.185 3.785 3.578 63 HB2 LEU 8 HB2 LEU 8 12.480 1.816 2.335 64 HB3 LEU 8 HB3 LEU 8 14.137 1.228 2.458 65 HG LEU 8 HG LEU 8 13.789 2.144 4.964 66 HD11 LEU 8 HD11 LEU 8 11.213 0.838 4.847 67 HD12 LEU 8 HD12 LEU 8 11.227 2.336 3.918 68 HD13 LEU 8 HD13 LEU 8 11.678 2.352 5.623 69 HD21 LEU 8 HD21 LEU 8 12.717 -0.432 5.044 70 HD22 LEU 8 HD22 LEU 8 14.414 0.024 5.190 71 HD23 LEU 8 HD23 LEU 8 13.748 -0.400 3.613 72 H TYR 9 H TYR 9 14.308 2.016 0.500 73 HA TYR 9 HA TYR 9 16.535 3.370 -0.561 74 HB2 TYR 9 HB2 TYR 9 18.075 1.240 -0.215 75 HB3 TYR 9 HB3 TYR 9 18.036 2.544 0.967 76 HD1 TYR 9 HD1 TYR 9 16.782 -0.855 0.224 77 HD2 TYR 9 HD2 TYR 9 17.257 2.170 3.177 78 HE1 TYR 9 HE1 TYR 9 16.143 -2.467 1.969 79 HE2 TYR 9 HE2 TYR 9 16.621 0.567 4.930 80 HH TYR 9 HH TYR 9 16.665 -2.620 4.612 81 HA PRO 10 HA PRO 10 14.187 0.488 -3.342 82 HB2 PRO 10 HB2 PRO 10 13.669 2.366 -5.233 83 HB3 PRO 10 HB3 PRO 10 12.632 2.109 -3.824 84 HG2 PRO 10 HG2 PRO 10 14.743 4.185 -4.270 85 HG3 PRO 10 HG3 PRO 10 13.129 4.365 -3.557 86 HD2 PRO 10 HD2 PRO 10 15.375 4.193 -2.054 87 HD3 PRO 10 HD3 PRO 10 13.809 3.563 -1.505 88 H ARG 11 H ARG 11 15.542 -0.768 -4.450 89 HA ARG 11 HA ARG 11 16.900 0.045 -6.748 90 HB2 ARG 11 HB2 ARG 11 19.274 -0.335 -5.829 91 HB3 ARG 11 HB3 ARG 11 18.509 1.218 -5.521 92 HG2 ARG 11 HG2 ARG 11 18.371 0.866 -3.292 93 HG3 ARG 11 HG3 ARG 11 18.128 -0.873 -3.471 94 HD2 ARG 11 HD2 ARG 11 20.663 -0.614 -4.387 95 HD3 ARG 11 HD3 ARG 11 20.612 0.677 -3.188 96 HE ARG 11 HE ARG 11 19.546 -1.588 -1.991 97 HH11 ARG 11 HH11 ARG 11 22.584 -0.556 -3.341 98 HH12 ARG 11 HH12 ARG 11 23.537 -1.564 -2.303 99 HH21 ARG 11 HH21 ARG 11 20.789 -2.920 -0.619 100 HH22 ARG 11 HH22 ARG 11 22.515 -2.909 -0.755 101 H GLU 12 H GLU 12 16.783 -2.190 -4.036 102 HA GLU 12 HA GLU 12 18.100 -4.378 -5.086 103 HB2 GLU 12 HB2 GLU 12 16.943 -4.014 -2.774 104 HB3 GLU 12 HB3 GLU 12 15.548 -4.745 -3.556 105 HG2 GLU 12 HG2 GLU 12 16.402 -6.684 -2.886 106 HG3 GLU 12 HG3 GLU 12 17.553 -6.484 -4.207 107 H GLU 13 H GLU 13 14.973 -3.090 -5.903 108 HA GLU 13 HA GLU 13 14.331 -5.428 -7.536 109 HB2 GLU 13 HB2 GLU 13 12.622 -2.969 -7.253 110 HB3 GLU 13 HB3 GLU 13 12.129 -4.601 -7.680 111 HG2 GLU 13 HG2 GLU 13 13.015 -3.615 -4.982 112 HG3 GLU 13 HG3 GLU 13 11.399 -4.136 -5.456 113 H MET 14 H MET 14 15.328 -2.101 -7.802 114 HA MET 14 HA MET 14 14.669 -1.475 -10.400 115 HB2 MET 14 HB2 MET 14 17.123 -0.782 -8.791 116 HB3 MET 14 HB3 MET 14 16.809 -0.100 -10.381 117 HG2 MET 14 HG2 MET 14 14.947 0.143 -8.032 118 HG3 MET 14 HG3 MET 14 16.135 1.358 -8.497 119 HE1 MET 14 HE1 MET 14 13.210 1.448 -7.913 120 HE2 MET 14 HE2 MET 14 12.511 2.549 -9.101 121 HE3 MET 14 HE3 MET 14 12.132 0.828 -9.165 122 H VAL 15 H VAL 15 17.351 -3.445 -9.229 123 HA VAL 15 HA VAL 15 18.568 -3.768 -11.794 124 HB VAL 15 HB VAL 15 19.879 -5.571 -10.710 125 HG11 VAL 15 HG11 VAL 15 21.084 -4.140 -9.170 126 HG12 VAL 15 HG12 VAL 15 20.580 -3.213 -10.583 127 HG13 VAL 15 HG13 VAL 15 19.702 -3.051 -9.062 128 HG21 VAL 15 HG21 VAL 15 18.992 -6.658 -8.984 129 HG22 VAL 15 HG22 VAL 15 19.247 -5.213 -8.006 130 HG23 VAL 15 HG23 VAL 15 17.707 -5.461 -8.829 131 H SER 16 H SER 16 16.098 -5.448 -9.994 132 HA SER 16 HA SER 16 16.097 -7.921 -11.259 133 HB2 SER 16 HB2 SER 16 14.543 -6.730 -9.353 134 HB3 SER 16 HB3 SER 16 13.420 -6.819 -10.710 135 HG SER 16 HG SER 16 13.171 -8.772 -9.900 136 H LEU 17 H LEU 17 14.405 -4.938 -12.185 137 HA LEU 17 HA LEU 17 13.045 -5.916 -14.408 138 HB2 LEU 17 HB2 LEU 17 14.217 -3.164 -14.029 139 HB3 LEU 17 HB3 LEU 17 12.953 -3.601 -15.177 140 HG LEU 17 HG LEU 17 11.630 -2.736 -13.561 141 HD11 LEU 17 HD11 LEU 17 10.609 -4.422 -12.260 142 HD12 LEU 17 HD12 LEU 17 12.089 -5.378 -12.201 143 HD13 LEU 17 HD13 LEU 17 11.202 -5.220 -13.717 144 HD21 LEU 17 HD21 LEU 17 14.019 -3.041 -11.950 145 HD22 LEU 17 HD22 LEU 17 12.553 -3.386 -11.032 146 HD23 LEU 17 HD23 LEU 17 12.736 -1.835 -11.852 147 H VAL 18 H VAL 18 15.996 -3.917 -14.568 148 HA VAL 18 HA VAL 18 16.618 -4.353 -17.214 149 HB VAL 18 HB VAL 18 17.781 -2.727 -15.753 150 HG11 VAL 18 HG11 VAL 18 19.651 -3.483 -14.361 151 HG12 VAL 18 HG12 VAL 18 18.115 -4.149 -13.804 152 HG13 VAL 18 HG13 VAL 18 19.236 -5.159 -14.718 153 HG21 VAL 18 HG21 VAL 18 19.959 -4.410 -16.870 154 HG22 VAL 18 HG22 VAL 18 18.699 -3.850 -17.969 155 HG23 VAL 18 HG23 VAL 18 19.655 -2.683 -17.056 156 H ARG 19 H ARG 19 17.194 -6.433 -14.458 157 HA ARG 19 HA ARG 19 18.986 -8.213 -15.778 158 HB2 ARG 19 HB2 ARG 19 17.443 -8.242 -13.223 159 HB3 ARG 19 HB3 ARG 19 18.096 -9.761 -13.823 160 HG2 ARG 19 HG2 ARG 19 20.216 -7.996 -14.033 161 HG3 ARG 19 HG3 ARG 19 19.434 -7.557 -12.513 162 HD2 ARG 19 HD2 ARG 19 20.418 -10.288 -13.324 163 HD3 ARG 19 HD3 ARG 19 21.119 -9.233 -12.097 164 HE ARG 19 HE ARG 19 18.529 -9.628 -11.298 165 HH11 ARG 19 HH11 ARG 19 21.252 -11.675 -12.018 166 HH12 ARG 19 HH12 ARG 19 20.781 -12.914 -10.903 167 HH21 ARG 19 HH21 ARG 19 17.898 -11.253 -9.827 168 HH22 ARG 19 HH22 ARG 19 18.873 -12.674 -9.658 169 H SER 20 H SER 20 15.497 -8.120 -15.296 170 HA SER 20 HA SER 20 14.884 -10.699 -16.204 171 HB2 SER 20 HB2 SER 20 12.983 -9.833 -15.322 172 HB3 SER 20 HB3 SER 20 13.412 -8.181 -15.768 173 HG SER 20 HG SER 20 12.515 -8.452 -17.718 174 H LEU 21 H LEU 21 15.608 -7.746 -17.922 175 HA LEU 21 HA LEU 21 15.006 -9.050 -20.482 176 HB2 LEU 21 HB2 LEU 21 15.008 -6.889 -21.473 177 HB3 LEU 21 HB3 LEU 21 14.038 -6.807 -20.004 178 HG LEU 21 HG LEU 21 16.665 -6.048 -19.297 179 HD11 LEU 21 HD11 LEU 21 16.478 -5.633 -21.970 180 HD12 LEU 21 HD12 LEU 21 17.469 -4.671 -20.874 181 HD13 LEU 21 HD13 LEU 21 15.866 -4.103 -21.342 182 HD21 LEU 21 HD21 LEU 21 14.977 -5.087 -18.075 183 HD22 LEU 21 HD22 LEU 21 13.980 -4.769 -19.494 184 HD23 LEU 21 HD23 LEU 21 15.389 -3.761 -19.163 185 H ASP 22 H ASP 22 16.556 -8.627 -22.274 186 HA ASP 22 HA ASP 22 19.186 -7.803 -21.923 187 HB2 ASP 22 HB2 ASP 22 18.782 -10.181 -20.561 188 HB3 ASP 22 HB3 ASP 22 19.495 -10.701 -22.086 189 H ARG 23 H ARG 23 18.851 -7.012 -23.984 190 HA ARG 23 HA ARG 23 19.408 -8.852 -26.123 191 HB2 ARG 23 HB2 ARG 23 16.787 -8.655 -25.632 192 HB3 ARG 23 HB3 ARG 23 16.973 -7.227 -26.642 193 HG2 ARG 23 HG2 ARG 23 16.303 -9.140 -27.968 194 HG3 ARG 23 HG3 ARG 23 17.923 -8.609 -28.420 195 HD2 ARG 23 HD2 ARG 23 17.692 -11.076 -28.241 196 HD3 ARG 23 HD3 ARG 23 18.922 -10.398 -27.176 197 HE ARG 23 HE ARG 23 16.815 -10.489 -25.546 198 HH11 ARG 23 HH11 ARG 23 18.103 -12.859 -27.747 199 HH12 ARG 23 HH12 ARG 23 17.574 -14.213 -26.804 200 HH21 ARG 23 HH21 ARG 23 16.114 -12.263 -24.296 201 HH22 ARG 23 HH22 ARG 23 16.442 -13.873 -24.842 202 HA PRO 24 HA PRO 24 20.995 -4.472 -26.508 203 HB2 PRO 24 HB2 PRO 24 23.613 -5.162 -26.712 204 HB3 PRO 24 HB3 PRO 24 22.812 -4.877 -25.162 205 HG2 PRO 24 HG2 PRO 24 23.415 -7.469 -26.534 206 HG3 PRO 24 HG3 PRO 24 23.594 -7.041 -24.823 207 HD2 PRO 24 HD2 PRO 24 21.492 -8.470 -25.756 208 HD3 PRO 24 HD3 PRO 24 21.354 -7.355 -24.381 209 H GLN 25 H GLN 25 19.788 -4.873 -28.574 210 HA GLN 25 HA GLN 25 21.104 -6.120 -30.769 211 HB2 GLN 25 HB2 GLN 25 18.735 -4.276 -30.551 212 HB3 GLN 25 HB3 GLN 25 19.341 -4.823 -32.108 213 HG2 GLN 25 HG2 GLN 25 19.071 -7.108 -30.482 214 HG3 GLN 25 HG3 GLN 25 17.603 -6.153 -30.285 215 HE21 GLN 25 HE21 GLN 25 19.807 -7.110 -32.902 216 HE22 GLN 25 HE22 GLN 25 18.563 -7.533 -34.024 217 H GLU 26 H GLU 26 20.564 -2.713 -29.890 218 HA GLU 26 HA GLU 26 22.196 -1.745 -32.043 219 HB2 GLU 26 HB2 GLU 26 20.453 -0.616 -30.018 220 HB3 GLU 26 HB3 GLU 26 21.938 0.311 -30.171 221 HG2 GLU 26 HG2 GLU 26 20.584 -0.438 -32.685 222 HG3 GLU 26 HG3 GLU 26 19.772 0.749 -31.667 223 H ASN 27 H ASN 27 22.565 -1.927 -28.510 224 HA ASN 27 HA ASN 27 24.392 -1.764 -27.157 225 HB2 ASN 27 HB2 ASN 27 24.827 -3.879 -28.549 226 HB3 ASN 27 HB3 ASN 27 25.980 -2.901 -29.453 227 HD21 ASN 27 HD21 ASN 27 25.163 -4.077 -26.240 228 HD22 ASN 27 HD22 ASN 27 26.773 -4.037 -25.617 229 H GLY 28 H GLY 28 23.972 0.652 -27.892 230 HA2 GLY 28 HA2 GLY 28 26.592 1.805 -28.193 231 HA3 GLY 28 HA3 GLY 28 25.551 2.088 -29.581 232 H LEU 29 H LEU 29 23.100 2.339 -28.163 233 HA LEU 29 HA LEU 29 23.218 4.211 -26.069 234 HB2 LEU 29 HB2 LEU 29 24.134 5.780 -27.568 235 HB3 LEU 29 HB3 LEU 29 23.025 5.312 -28.856 236 HG LEU 29 HG LEU 29 21.822 6.468 -26.408 237 HD11 LEU 29 HD11 LEU 29 23.999 7.766 -27.251 238 HD12 LEU 29 HD12 LEU 29 22.566 8.591 -26.640 239 HD13 LEU 29 HD13 LEU 29 22.818 8.433 -28.378 240 HD21 LEU 29 HD21 LEU 29 20.884 5.737 -28.846 241 HD22 LEU 29 HD22 LEU 29 21.163 7.461 -29.091 242 HD23 LEU 29 HD23 LEU 29 20.107 6.915 -27.788 243 H PHE 30 H PHE 30 21.481 3.007 -28.878 244 HA PHE 30 HA PHE 30 18.892 3.785 -28.038 245 HB2 PHE 30 HB2 PHE 30 20.043 2.057 -30.130 246 HB3 PHE 30 HB3 PHE 30 18.425 1.605 -29.604 247 HD1 PHE 30 HD1 PHE 30 20.349 4.640 -30.603 248 HD2 PHE 30 HD2 PHE 30 16.634 2.564 -30.670 249 HE1 PHE 30 HE1 PHE 30 19.398 6.396 -32.040 250 HE2 PHE 30 HE2 PHE 30 15.677 4.316 -32.108 251 HZ PHE 30 HZ PHE 30 17.060 6.235 -32.796 252 H SER 31 H SER 31 21.016 1.441 -26.872 253 HA SER 31 HA SER 31 18.937 0.348 -25.155 254 HB2 SER 31 HB2 SER 31 19.245 -1.115 -27.275 255 HB3 SER 31 HB3 SER 31 20.774 -1.593 -26.538 256 HG SER 31 HG SER 31 18.149 -2.098 -25.697 257 H GLN 32 H GLN 32 21.359 2.060 -24.935 258 HA GLN 32 HA GLN 32 22.422 0.858 -22.561 259 HB2 GLN 32 HB2 GLN 32 23.806 0.444 -25.032 260 HB3 GLN 32 HB3 GLN 32 24.777 1.492 -24.006 261 HG2 GLN 32 HG2 GLN 32 25.404 -0.217 -22.754 262 HG3 GLN 32 HG3 GLN 32 23.729 -0.685 -22.466 263 HE21 GLN 32 HE21 GLN 32 22.806 -1.504 -24.802 264 HE22 GLN 32 HE22 GLN 32 23.722 -2.830 -25.423 265 H ASP 33 H ASP 33 24.445 2.315 -21.857 266 HA ASP 33 HA ASP 33 23.447 5.064 -22.000 267 HB2 ASP 33 HB2 ASP 33 25.216 3.605 -20.050 268 HB3 ASP 33 HB3 ASP 33 25.121 5.364 -20.062 269 H VAL 34 H VAL 34 24.381 6.399 -23.387 270 HA VAL 34 HA VAL 34 26.674 5.870 -24.871 271 HB VAL 34 HB VAL 34 25.015 7.545 -25.542 272 HG11 VAL 34 HG11 VAL 34 24.403 8.608 -23.536 273 HG12 VAL 34 HG12 VAL 34 26.073 9.031 -23.154 274 HG13 VAL 34 HG13 VAL 34 25.237 9.845 -24.476 275 HG21 VAL 34 HG21 VAL 34 27.449 9.203 -25.313 276 HG22 VAL 34 HG22 VAL 34 27.652 7.607 -26.037 277 HG23 VAL 34 HG23 VAL 34 26.509 8.754 -26.737 278 H LEU 35 H LEU 35 26.344 7.104 -21.668 279 HA LEU 35 HA LEU 35 28.791 8.483 -21.435 280 HB2 LEU 35 HB2 LEU 35 26.948 8.693 -19.832 281 HB3 LEU 35 HB3 LEU 35 27.214 7.029 -19.315 282 HG LEU 35 HG LEU 35 28.112 8.955 -17.854 283 HD11 LEU 35 HD11 LEU 35 29.077 7.206 -16.896 284 HD12 LEU 35 HD12 LEU 35 30.425 7.354 -18.023 285 HD13 LEU 35 HD13 LEU 35 29.052 6.321 -18.421 286 HD21 LEU 35 HD21 LEU 35 29.260 9.862 -20.070 287 HD22 LEU 35 HD22 LEU 35 30.561 8.805 -19.521 288 HD23 LEU 35 HD23 LEU 35 29.976 10.100 -18.476 289 H LEU 36 H LEU 36 28.007 5.120 -21.471 290 HA LEU 36 HA LEU 36 30.610 4.364 -20.385 291 HB2 LEU 36 HB2 LEU 36 28.131 2.838 -21.105 292 HB3 LEU 36 HB3 LEU 36 29.659 2.016 -20.799 293 HG LEU 36 HG LEU 36 29.630 3.209 -18.530 294 HD11 LEU 36 HD11 LEU 36 27.959 4.590 -18.080 295 HD12 LEU 36 HD12 LEU 36 26.807 3.273 -18.296 296 HD13 LEU 36 HD13 LEU 36 27.260 4.282 -19.670 297 HD21 LEU 36 HD21 LEU 36 29.083 0.760 -19.107 298 HD22 LEU 36 HD22 LEU 36 27.401 1.234 -18.868 299 HD23 LEU 36 HD23 LEU 36 28.557 1.392 -17.546 300 H GLN 37 H GLN 37 30.429 5.737 -22.938 301 HA GLN 37 HA GLN 37 31.331 3.617 -24.769 302 HB2 GLN 37 HB2 GLN 37 30.457 6.425 -25.464 303 HB3 GLN 37 HB3 GLN 37 30.836 5.134 -26.596 304 HG2 GLN 37 HG2 GLN 37 28.594 4.997 -24.598 305 HG3 GLN 37 HG3 GLN 37 28.403 5.568 -26.255 306 HE21 GLN 37 HE21 GLN 37 27.035 3.377 -25.148 307 HE22 GLN 37 HE22 GLN 37 27.528 1.952 -25.990 308 H TYR 38 H TYR 38 31.981 7.108 -24.487 309 HA TYR 38 HA TYR 38 34.813 6.582 -24.095 310 HB2 TYR 38 HB2 TYR 38 33.678 7.373 -26.655 311 HB3 TYR 38 HB3 TYR 38 34.870 8.532 -26.078 312 HD1 TYR 38 HD1 TYR 38 34.364 4.923 -26.799 313 HD2 TYR 38 HD2 TYR 38 37.164 8.083 -26.274 314 HE1 TYR 38 HE1 TYR 38 36.169 3.446 -27.580 315 HE2 TYR 38 HE2 TYR 38 38.976 6.616 -27.055 316 HH TYR 38 HH TYR 38 38.344 3.497 -28.446 317 HA PRO 39 HA PRO 39 34.473 10.183 -21.592 318 HB2 PRO 39 HB2 PRO 39 37.088 10.902 -21.490 319 HB3 PRO 39 HB3 PRO 39 36.440 9.510 -20.615 320 HG2 PRO 39 HG2 PRO 39 37.914 9.593 -23.220 321 HG3 PRO 39 HG3 PRO 39 38.103 8.467 -21.862 322 HD2 PRO 39 HD2 PRO 39 36.711 7.834 -24.096 323 HD3 PRO 39 HD3 PRO 39 36.283 7.203 -22.493 324 H GLU 40 H GLU 40 33.321 11.205 -23.507 325 HA GLU 40 HA GLU 40 34.550 13.721 -24.070 326 HB2 GLU 40 HB2 GLU 40 34.422 13.501 -26.559 327 HB3 GLU 40 HB3 GLU 40 35.682 12.529 -25.811 328 HG2 GLU 40 HG2 GLU 40 33.646 10.757 -25.847 329 HG3 GLU 40 HG3 GLU 40 33.280 11.707 -27.286 330 H LEU 41 H LEU 41 31.978 11.426 -24.822 331 HA LEU 41 HA LEU 41 30.125 13.630 -25.342 332 HB2 LEU 41 HB2 LEU 41 28.552 11.752 -25.941 333 HB3 LEU 41 HB3 LEU 41 29.962 11.953 -26.979 334 HG LEU 41 HG LEU 41 29.203 9.573 -26.279 335 HD11 LEU 41 HD11 LEU 41 32.038 9.639 -25.725 336 HD12 LEU 41 HD12 LEU 41 31.616 10.692 -27.075 337 HD13 LEU 41 HD13 LEU 41 31.174 8.985 -27.117 338 HD21 LEU 41 HD21 LEU 41 30.811 10.368 -23.854 339 HD22 LEU 41 HD22 LEU 41 30.190 8.759 -24.224 340 HD23 LEU 41 HD23 LEU 41 29.071 10.077 -23.872 341 H ALA 42 H ALA 42 31.233 12.746 -22.654 342 HA ALA 42 HA ALA 42 29.001 11.675 -21.211 343 HB1 ALA 42 HB1 ALA 42 31.514 13.003 -20.201 344 HB2 ALA 42 HB2 ALA 42 30.353 12.113 -19.216 345 HB3 ALA 42 HB3 ALA 42 31.281 11.274 -20.459 346 H GLU 43 H GLU 43 30.154 14.857 -22.026 347 HA GLU 43 HA GLU 43 28.726 16.307 -20.057 348 HB2 GLU 43 HB2 GLU 43 30.239 16.921 -22.502 349 HB3 GLU 43 HB3 GLU 43 28.950 18.061 -22.142 350 HG2 GLU 43 HG2 GLU 43 29.884 18.527 -19.985 351 HG3 GLU 43 HG3 GLU 43 31.094 17.262 -20.190 352 H SER 44 H SER 44 27.972 15.381 -23.391 353 HA SER 44 HA SER 44 25.420 16.694 -23.377 354 HB2 SER 44 HB2 SER 44 25.479 16.326 -25.596 355 HB3 SER 44 HB3 SER 44 27.104 15.690 -25.344 356 HG SER 44 HG SER 44 26.133 13.618 -25.053 357 H TYR 45 H TYR 45 26.622 13.537 -22.569 358 HA TYR 45 HA TYR 45 24.449 11.900 -22.810 359 HB2 TYR 45 HB2 TYR 45 26.388 10.873 -22.010 360 HB3 TYR 45 HB3 TYR 45 26.606 12.059 -20.728 361 HD1 TYR 45 HD1 TYR 45 24.066 9.525 -21.792 362 HD2 TYR 45 HD2 TYR 45 26.174 11.353 -18.580 363 HE1 TYR 45 HE1 TYR 45 22.954 8.009 -20.207 364 HE2 TYR 45 HE2 TYR 45 25.069 9.841 -16.986 365 HH TYR 45 HH TYR 45 23.987 7.468 -17.148 366 H THR 46 H THR 46 25.117 14.150 -20.148 367 HA THR 46 HA THR 46 22.735 13.515 -18.712 368 HB THR 46 HB THR 46 24.560 14.418 -17.459 369 HG1 THR 46 HG1 THR 46 23.137 15.447 -16.293 370 HG21 THR 46 HG21 THR 46 25.754 15.655 -19.119 371 HG22 THR 46 HG22 THR 46 25.311 16.786 -17.841 372 HG23 THR 46 HG23 THR 46 24.401 16.761 -19.352 373 H LYS 47 H LYS 47 23.606 15.891 -21.138 374 HA LYS 47 HA LYS 47 21.444 17.644 -20.868 375 HB2 LYS 47 HB2 LYS 47 23.409 18.135 -22.253 376 HB3 LYS 47 HB3 LYS 47 22.944 16.863 -23.376 377 HG2 LYS 47 HG2 LYS 47 20.983 19.022 -22.819 378 HG3 LYS 47 HG3 LYS 47 22.380 19.397 -23.831 379 HD2 LYS 47 HD2 LYS 47 21.610 18.173 -25.554 380 HD3 LYS 47 HD3 LYS 47 21.029 16.880 -24.503 381 HE2 LYS 47 HE2 LYS 47 18.989 17.617 -25.070 382 HE3 LYS 47 HE3 LYS 47 19.302 18.896 -23.897 383 HZ1 LYS 47 HZ1 LYS 47 19.286 19.011 -26.812 384 HZ2 LYS 47 HZ2 LYS 47 20.429 19.972 -26.017 385 HZ3 LYS 47 HZ3 LYS 47 18.783 20.164 -25.681 386 H VAL 48 H VAL 48 21.567 14.424 -22.031 387 HA VAL 48 HA VAL 48 18.835 14.687 -23.109 388 HB VAL 48 HB VAL 48 20.609 12.379 -23.812 389 HG11 VAL 48 HG11 VAL 48 18.044 13.479 -24.654 390 HG12 VAL 48 HG12 VAL 48 19.118 13.101 -26.002 391 HG13 VAL 48 HG13 VAL 48 18.693 11.850 -24.834 392 HG21 VAL 48 HG21 VAL 48 20.615 15.072 -25.174 393 HG22 VAL 48 HG22 VAL 48 21.962 14.326 -24.314 394 HG23 VAL 48 HG23 VAL 48 21.366 13.609 -25.811 395 H CYS 49 H CYS 49 19.888 14.132 -20.325 396 HA CYS 49 HA CYS 49 19.257 12.886 -18.530 397 HB2 CYS 49 HB2 CYS 49 17.116 12.464 -20.491 398 HB3 CYS 49 HB3 CYS 49 17.266 11.161 -19.318 399 HG CYS 49 HG CYS 49 16.688 14.462 -18.633 400 HA PRO 50 HA PRO 50 21.372 9.049 -18.678 401 HB2 PRO 50 HB2 PRO 50 20.090 7.565 -16.801 402 HB3 PRO 50 HB3 PRO 50 21.143 8.926 -16.395 403 HG2 PRO 50 HG2 PRO 50 18.156 8.829 -16.569 404 HG3 PRO 50 HG3 PRO 50 19.181 9.606 -15.348 405 HD2 PRO 50 HD2 PRO 50 18.010 10.988 -17.361 406 HD3 PRO 50 HD3 PRO 50 19.582 11.448 -16.675 407 H ASN 51 H ASN 51 19.933 9.043 -20.887 408 HA ASN 51 HA ASN 51 18.998 7.695 -22.462 409 HB2 ASN 51 HB2 ASN 51 20.333 5.938 -20.669 410 HB3 ASN 51 HB3 ASN 51 18.797 5.190 -21.096 411 HD21 ASN 51 HD21 ASN 51 21.139 7.189 -22.861 412 HD22 ASN 51 HD22 ASN 51 21.338 6.089 -24.179 413 H ARG 52 H ARG 52 16.967 6.987 -23.093 414 HA ARG 52 HA ARG 52 14.935 6.791 -20.973 415 HB2 ARG 52 HB2 ARG 52 14.959 8.518 -23.417 416 HB3 ARG 52 HB3 ARG 52 13.425 7.911 -22.808 417 HG2 ARG 52 HG2 ARG 52 15.407 9.545 -21.237 418 HG3 ARG 52 HG3 ARG 52 13.922 10.151 -21.973 419 HD2 ARG 52 HD2 ARG 52 12.731 9.501 -20.214 420 HD3 ARG 52 HD3 ARG 52 13.339 7.853 -20.364 421 HE ARG 52 HE ARG 52 14.867 8.287 -18.698 422 HH11 ARG 52 HH11 ARG 52 13.360 11.252 -19.726 423 HH12 ARG 52 HH12 ARG 52 14.004 12.187 -18.417 424 HH21 ARG 52 HH21 ARG 52 15.722 9.507 -16.970 425 HH22 ARG 52 HH22 ARG 52 15.349 11.193 -16.851 426 H CYS 53 H CYS 53 16.255 4.644 -22.293 427 HA CYS 53 HA CYS 53 14.330 3.626 -24.230 428 HB2 CYS 53 HB2 CYS 53 16.640 3.283 -24.806 429 HB3 CYS 53 HB3 CYS 53 16.976 2.558 -23.239 430 HG CYS 53 HG CYS 53 15.601 0.222 -23.697 431 H ASP 54 H ASP 54 15.973 2.149 -21.432 432 HA ASP 54 HA ASP 54 13.700 1.539 -19.950 433 HB2 ASP 54 HB2 ASP 54 14.148 -0.240 -22.220 434 HB3 ASP 54 HB3 ASP 54 14.100 -1.102 -20.684 435 H LEU 55 H LEU 55 16.286 -0.701 -20.914 436 HA LEU 55 HA LEU 55 17.003 -1.301 -18.249 437 HB2 LEU 55 HB2 LEU 55 18.996 -2.377 -19.284 438 HB3 LEU 55 HB3 LEU 55 17.449 -2.902 -19.946 439 HG LEU 55 HG LEU 55 18.741 -0.709 -21.417 440 HD11 LEU 55 HD11 LEU 55 20.072 -2.832 -22.497 441 HD12 LEU 55 HD12 LEU 55 20.201 -3.157 -20.768 442 HD13 LEU 55 HD13 LEU 55 20.781 -1.625 -21.423 443 HD21 LEU 55 HD21 LEU 55 17.642 -1.617 -23.172 444 HD22 LEU 55 HD22 LEU 55 16.681 -2.357 -21.892 445 HD23 LEU 55 HD23 LEU 55 17.973 -3.274 -22.667 446 H ALA 56 H ALA 56 18.259 0.982 -20.612 447 HA ALA 56 HA ALA 56 20.568 1.720 -19.117 448 HB1 ALA 56 HB1 ALA 56 20.681 3.636 -20.676 449 HB2 ALA 56 HB2 ALA 56 20.507 2.085 -21.499 450 HB3 ALA 56 HB3 ALA 56 19.116 3.157 -21.334 451 H THR 57 H THR 57 17.237 2.745 -19.135 452 HA THR 57 HA THR 57 17.716 5.151 -17.624 453 HB THR 57 HB THR 57 15.073 3.755 -18.066 454 HG1 THR 57 HG1 THR 57 16.021 4.218 -20.077 455 HG21 THR 57 HG21 THR 57 15.020 5.462 -16.332 456 HG22 THR 57 HG22 THR 57 14.154 6.022 -17.761 457 HG23 THR 57 HG23 THR 57 15.778 6.622 -17.423 458 H ALA 58 H ALA 58 16.472 1.904 -16.958 459 HA ALA 58 HA ALA 58 15.918 2.418 -14.205 460 HB1 ALA 58 HB1 ALA 58 15.971 0.005 -15.947 461 HB2 ALA 58 HB2 ALA 58 15.989 -0.211 -14.196 462 HB3 ALA 58 HB3 ALA 58 14.662 0.661 -14.963 463 H ALA 59 H ALA 59 18.661 1.130 -15.990 464 HA ALA 59 HA ALA 59 20.115 0.175 -13.757 465 HB1 ALA 59 HB1 ALA 59 21.178 1.091 -16.426 466 HB2 ALA 59 HB2 ALA 59 22.014 0.069 -15.257 467 HB3 ALA 59 HB3 ALA 59 20.567 -0.525 -16.072 468 H ASP 60 H ASP 60 20.171 3.251 -15.522 469 HA ASP 60 HA ASP 60 22.268 4.395 -13.981 470 HB2 ASP 60 HB2 ASP 60 21.050 5.070 -16.317 471 HB3 ASP 60 HB3 ASP 60 20.319 6.236 -15.217 472 H ARG 61 H ARG 61 18.751 4.450 -13.758 473 HA ARG 61 HA ARG 61 18.415 6.443 -11.858 474 HB2 ARG 61 HB2 ARG 61 16.834 4.348 -12.994 475 HB3 ARG 61 HB3 ARG 61 16.579 4.362 -11.254 476 HG2 ARG 61 HG2 ARG 61 14.944 5.751 -12.382 477 HG3 ARG 61 HG3 ARG 61 15.994 6.731 -11.356 478 HD2 ARG 61 HD2 ARG 61 16.859 6.384 -14.157 479 HD3 ARG 61 HD3 ARG 61 15.401 7.344 -13.909 480 HE ARG 61 HE ARG 61 18.099 8.064 -13.200 481 HH11 ARG 61 HH11 ARG 61 14.714 8.633 -12.618 482 HH12 ARG 61 HH12 ARG 61 14.956 10.232 -11.996 483 HH21 ARG 61 HH21 ARG 61 18.431 10.168 -12.384 484 HH22 ARG 61 HH22 ARG 61 17.070 11.104 -11.864 485 H ALA 62 H ALA 62 19.151 3.010 -11.401 486 HA ALA 62 HA ALA 62 19.130 3.187 -8.537 487 HB1 ALA 62 HB1 ALA 62 20.485 0.888 -9.079 488 HB2 ALA 62 HB2 ALA 62 18.729 1.025 -8.975 489 HB3 ALA 62 HB3 ALA 62 19.527 1.094 -10.546 490 H ALA 63 H ALA 63 21.677 2.852 -11.001 491 HA ALA 63 HA ALA 63 23.875 2.839 -9.289 492 HB1 ALA 63 HB1 ALA 63 23.898 2.322 -11.733 493 HB2 ALA 63 HB2 ALA 63 23.823 4.057 -12.044 494 HB3 ALA 63 HB3 ALA 63 25.209 3.372 -11.195 495 H LYS 64 H LYS 64 21.839 5.451 -10.322 496 HA LYS 64 HA LYS 64 23.534 7.632 -9.878 497 HB2 LYS 64 HB2 LYS 64 20.569 7.243 -9.866 498 HB3 LYS 64 HB3 LYS 64 21.228 8.764 -9.277 499 HG2 LYS 64 HG2 LYS 64 22.327 7.888 -11.845 500 HG3 LYS 64 HG3 LYS 64 20.596 8.234 -11.864 501 HD2 LYS 64 HD2 LYS 64 21.588 10.287 -12.376 502 HD3 LYS 64 HD3 LYS 64 21.221 10.411 -10.654 503 HE2 LYS 64 HE2 LYS 64 23.501 9.933 -10.076 504 HE3 LYS 64 HE3 LYS 64 23.901 9.580 -11.756 505 HZ1 LYS 64 HZ1 LYS 64 23.594 12.143 -10.424 506 HZ2 LYS 64 HZ2 LYS 64 22.967 12.052 -11.992 507 HZ3 LYS 64 HZ3 LYS 64 24.598 11.704 -11.713 508 H GLY 65 H GLY 65 22.041 5.466 -7.665 509 HA2 GLY 65 HA2 GLY 65 23.112 5.497 -5.422 510 HA3 GLY 65 HA3 GLY 65 22.834 7.232 -5.430 511 H ALA 66 H ALA 66 20.342 5.364 -6.825 512 HA ALA 66 HA ALA 66 18.158 5.076 -6.233 513 HB1 ALA 66 HB1 ALA 66 17.797 3.981 -4.045 514 HB2 ALA 66 HB2 ALA 66 19.091 3.238 -4.986 515 HB3 ALA 66 HB3 ALA 66 19.482 4.305 -3.637 516 H TYR 67 H TYR 67 18.192 7.555 -6.413 517 HA TYR 67 HA TYR 67 18.222 9.286 -4.276 518 HB2 TYR 67 HB2 TYR 67 17.952 9.867 -6.723 519 HB3 TYR 67 HB3 TYR 67 16.244 9.476 -6.551 520 HD1 TYR 67 HD1 TYR 67 14.773 10.899 -5.205 521 HD2 TYR 67 HD2 TYR 67 18.870 11.890 -5.784 522 HE1 TYR 67 HE1 TYR 67 14.324 13.188 -4.422 523 HE2 TYR 67 HE2 TYR 67 18.433 14.180 -5.002 524 HH TYR 67 HH TYR 67 15.632 15.069 -3.391 525 H GLY 68 H GLY 68 17.252 8.914 -2.379 526 HA2 GLY 68 HA2 GLY 68 14.722 7.567 -2.177 527 HA3 GLY 68 HA3 GLY 68 15.640 8.267 -0.853 528 H TYR 69 H TYR 69 13.566 8.991 -0.045 529 HA TYR 69 HA TYR 69 11.955 10.555 0.316 530 HB2 TYR 69 HB2 TYR 69 14.155 11.946 0.157 531 HB3 TYR 69 HB3 TYR 69 13.496 12.492 -1.381 532 HD1 TYR 69 HD1 TYR 69 12.146 11.953 2.071 533 HD2 TYR 69 HD2 TYR 69 12.513 14.566 -1.267 534 HE1 TYR 69 HE1 TYR 69 10.805 13.642 3.253 535 HE2 TYR 69 HE2 TYR 69 11.173 16.263 -0.093 536 HH TYR 69 HH TYR 69 9.333 15.609 2.603 537 H ASP 70 H ASP 70 10.380 9.471 -0.922 538 HA ASP 70 HA ASP 70 9.645 10.907 -3.369 539 HB2 ASP 70 HB2 ASP 70 10.753 8.401 -3.496 540 HB3 ASP 70 HB3 ASP 70 9.030 8.036 -3.457 541 H VAL 71 H VAL 71 7.621 11.605 -3.264 542 HA VAL 71 HA VAL 71 5.917 10.997 -1.091 543 HB VAL 71 HB VAL 71 5.874 13.140 -2.371 544 HG11 VAL 71 HG11 VAL 71 4.248 11.647 -4.414 545 HG12 VAL 71 HG12 VAL 71 4.825 13.313 -4.482 546 HG13 VAL 71 HG13 VAL 71 5.968 11.976 -4.616 547 HG21 VAL 71 HG21 VAL 71 4.063 12.651 -0.877 548 HG22 VAL 71 HG22 VAL 71 3.391 13.359 -2.347 549 HG23 VAL 71 HG23 VAL 71 3.287 11.619 -2.079 550 H GLN 72 H GLN 72 6.367 9.549 -4.189 551 HA GLN 72 HA GLN 72 4.761 7.319 -3.573 552 HB2 GLN 72 HB2 GLN 72 2.982 9.042 -4.055 553 HB3 GLN 72 HB3 GLN 72 3.577 9.094 -5.709 554 HG2 GLN 72 HG2 GLN 72 3.194 6.401 -5.236 555 HG3 GLN 72 HG3 GLN 72 1.837 7.174 -4.418 556 HE21 GLN 72 HE21 GLN 72 3.610 7.931 -7.394 557 HE22 GLN 72 HE22 GLN 72 2.223 7.934 -8.424 558 H LEU 73 H LEU 73 7.354 7.612 -4.431 559 HA LEU 73 HA LEU 73 8.873 6.936 -5.989 560 HB2 LEU 73 HB2 LEU 73 6.590 5.164 -6.845 561 HB3 LEU 73 HB3 LEU 73 8.294 4.915 -7.221 562 HG LEU 73 HG LEU 73 7.896 3.403 -5.509 563 HD11 LEU 73 HD11 LEU 73 8.676 5.627 -3.707 564 HD12 LEU 73 HD12 LEU 73 9.709 5.286 -5.095 565 HD13 LEU 73 HD13 LEU 73 9.386 4.025 -3.906 566 HD21 LEU 73 HD21 LEU 73 6.551 5.382 -3.725 567 HD22 LEU 73 HD22 LEU 73 6.411 3.624 -3.765 568 HD23 LEU 73 HD23 LEU 73 5.628 4.600 -5.009 569 H THR 74 H THR 74 7.343 9.236 -6.705 570 HA THR 74 HA THR 74 6.334 9.194 -9.310 571 HB THR 74 HB THR 74 7.726 11.482 -7.905 572 HG1 THR 74 HG1 THR 74 5.386 12.045 -7.593 573 HG21 THR 74 HG21 THR 74 7.602 12.103 -10.164 574 HG22 THR 74 HG22 THR 74 6.161 12.817 -9.441 575 HG23 THR 74 HG23 THR 74 6.031 11.331 -10.382 576 H THR 75 H THR 75 9.608 9.271 -8.127 577 HA THR 75 HA THR 75 10.971 10.255 -10.338 578 HB THR 75 HB THR 75 12.901 8.875 -9.564 579 HG1 THR 75 HG1 THR 75 12.337 7.109 -8.538 580 HG21 THR 75 HG21 THR 75 13.113 9.952 -7.365 581 HG22 THR 75 HG22 THR 75 11.395 10.346 -7.397 582 HG23 THR 75 HG23 THR 75 12.488 11.068 -8.578 583 H LEU 76 H LEU 76 10.117 6.878 -9.596 584 HA LEU 76 HA LEU 76 11.082 5.934 -12.133 585 HB2 LEU 76 HB2 LEU 76 10.951 4.667 -9.895 586 HB3 LEU 76 HB3 LEU 76 9.257 4.411 -10.306 587 HG LEU 76 HG LEU 76 10.172 3.398 -12.497 588 HD11 LEU 76 HD11 LEU 76 12.441 2.250 -11.869 589 HD12 LEU 76 HD12 LEU 76 12.633 3.669 -10.839 590 HD13 LEU 76 HD13 LEU 76 12.415 3.865 -12.578 591 HD21 LEU 76 HD21 LEU 76 10.007 2.257 -9.783 592 HD22 LEU 76 HD22 LEU 76 10.844 1.276 -10.987 593 HD23 LEU 76 HD23 LEU 76 9.180 1.787 -11.269 594 H LYS 77 H LYS 77 7.884 6.390 -10.653 595 HA LYS 77 HA LYS 77 6.300 5.449 -12.722 596 HB2 LYS 77 HB2 LYS 77 5.906 6.853 -10.311 597 HB3 LYS 77 HB3 LYS 77 5.110 7.802 -11.560 598 HG2 LYS 77 HG2 LYS 77 3.545 6.256 -10.582 599 HG3 LYS 77 HG3 LYS 77 3.862 5.800 -12.257 600 HD2 LYS 77 HD2 LYS 77 3.888 3.791 -11.003 601 HD3 LYS 77 HD3 LYS 77 5.574 4.173 -11.359 602 HE2 LYS 77 HE2 LYS 77 4.971 5.462 -8.939 603 HE3 LYS 77 HE3 LYS 77 4.274 3.847 -8.818 604 HZ1 LYS 77 HZ1 LYS 77 6.379 3.419 -8.124 605 HZ2 LYS 77 HZ2 LYS 77 7.076 4.651 -9.052 606 HZ3 LYS 77 HZ3 LYS 77 6.617 3.197 -9.785 607 H GLU 78 H GLU 78 7.988 8.496 -12.407 608 HA GLU 78 HA GLU 78 6.674 9.687 -14.686 609 HB2 GLU 78 HB2 GLU 78 7.519 11.011 -12.734 610 HB3 GLU 78 HB3 GLU 78 9.157 10.625 -13.243 611 HG2 GLU 78 HG2 GLU 78 9.157 12.304 -14.678 612 HG3 GLU 78 HG3 GLU 78 7.702 11.690 -15.460 613 H ASP 79 H ASP 79 9.632 7.953 -14.017 614 HA ASP 79 HA ASP 79 10.885 8.563 -16.519 615 HB2 ASP 79 HB2 ASP 79 11.516 6.991 -14.128 616 HB3 ASP 79 HB3 ASP 79 12.097 6.258 -15.621 617 H ILE 80 H ILE 80 8.786 6.038 -15.312 618 HA ILE 80 HA ILE 80 9.154 4.294 -17.557 619 HB ILE 80 HB ILE 80 8.457 3.403 -15.387 620 HG12 ILE 80 HG12 ILE 80 6.628 1.961 -16.185 621 HG13 ILE 80 HG13 ILE 80 6.341 3.064 -17.526 622 HG21 ILE 80 HG21 ILE 80 6.260 3.807 -14.480 623 HG22 ILE 80 HG22 ILE 80 7.088 5.346 -14.707 624 HG23 ILE 80 HG23 ILE 80 5.846 4.836 -15.850 625 HD11 ILE 80 HD11 ILE 80 7.600 1.087 -18.206 626 HD12 ILE 80 HD12 ILE 80 8.532 2.567 -18.430 627 HD13 ILE 80 HD13 ILE 80 8.874 1.508 -17.061 628 H ARG 81 H ARG 81 6.817 6.764 -16.631 629 HA ARG 81 HA ARG 81 5.059 6.254 -18.835 630 HB2 ARG 81 HB2 ARG 81 3.754 8.012 -18.024 631 HB3 ARG 81 HB3 ARG 81 4.501 7.360 -16.572 632 HG2 ARG 81 HG2 ARG 81 4.895 9.546 -16.181 633 HG3 ARG 81 HG3 ARG 81 6.319 9.216 -17.169 634 HD2 ARG 81 HD2 ARG 81 5.545 11.060 -18.257 635 HD3 ARG 81 HD3 ARG 81 4.638 9.823 -19.126 636 HE ARG 81 HE ARG 81 2.971 10.468 -17.112 637 HH11 ARG 81 HH11 ARG 81 4.715 12.384 -19.438 638 HH12 ARG 81 HH12 ARG 81 3.533 13.650 -19.476 639 HH21 ARG 81 HH21 ARG 81 1.408 12.129 -17.153 640 HH22 ARG 81 HH22 ARG 81 1.652 13.504 -18.175 641 H LEU 82 H LEU 82 7.813 8.316 -18.243 642 HA LEU 82 HA LEU 82 7.422 10.022 -20.496 643 HB2 LEU 82 HB2 LEU 82 8.804 10.511 -18.435 644 HB3 LEU 82 HB3 LEU 82 10.029 9.439 -19.112 645 HG LEU 82 HG LEU 82 10.422 11.899 -19.449 646 HD11 LEU 82 HD11 LEU 82 10.952 9.751 -21.078 647 HD12 LEU 82 HD12 LEU 82 11.660 11.359 -21.223 648 HD13 LEU 82 HD13 LEU 82 10.248 10.928 -22.187 649 HD21 LEU 82 HD21 LEU 82 7.994 12.384 -19.924 650 HD22 LEU 82 HD22 LEU 82 8.248 11.673 -21.517 651 HD23 LEU 82 HD23 LEU 82 9.152 13.110 -21.040 652 H MET 83 H MET 83 9.354 7.117 -19.892 653 HA MET 83 HA MET 83 10.720 7.056 -22.339 654 HB2 MET 83 HB2 MET 83 9.958 4.937 -20.351 655 HB3 MET 83 HB3 MET 83 10.778 4.514 -21.847 656 HG2 MET 83 HG2 MET 83 12.619 6.020 -21.245 657 HG3 MET 83 HG3 MET 83 11.802 6.387 -19.728 658 HE1 MET 83 HE1 MET 83 11.810 2.865 -17.981 659 HE2 MET 83 HE2 MET 83 11.563 4.586 -17.686 660 HE3 MET 83 HE3 MET 83 10.564 3.742 -18.870 661 H VAL 84 H VAL 84 7.751 5.338 -21.365 662 HA VAL 84 HA VAL 84 7.206 4.107 -23.798 663 HB VAL 84 HB VAL 84 5.981 3.484 -21.819 664 HG11 VAL 84 HG11 VAL 84 5.936 5.764 -20.818 665 HG12 VAL 84 HG12 VAL 84 4.626 6.175 -21.926 666 HG13 VAL 84 HG13 VAL 84 4.397 4.908 -20.720 667 HG21 VAL 84 HG21 VAL 84 3.786 3.291 -22.728 668 HG22 VAL 84 HG22 VAL 84 4.013 4.721 -23.735 669 HG23 VAL 84 HG23 VAL 84 4.917 3.246 -24.081 670 H ASN 85 H ASN 85 6.325 7.332 -22.645 671 HA ASN 85 HA ASN 85 4.626 8.062 -24.743 672 HB2 ASN 85 HB2 ASN 85 6.278 9.561 -22.756 673 HB3 ASN 85 HB3 ASN 85 5.578 10.450 -24.105 674 HD21 ASN 85 HD21 ASN 85 5.054 10.390 -21.150 675 HD22 ASN 85 HD22 ASN 85 3.346 10.162 -21.021 676 H ASN 86 H ASN 86 8.133 8.483 -24.379 677 HA ASN 86 HA ASN 86 8.421 9.701 -26.964 678 HB2 ASN 86 HB2 ASN 86 9.954 9.680 -24.703 679 HB3 ASN 86 HB3 ASN 86 10.823 8.534 -25.720 680 HD21 ASN 86 HD21 ASN 86 12.552 9.669 -26.328 681 HD22 ASN 86 HD22 ASN 86 12.502 11.180 -27.165 682 H CYS 87 H CYS 87 8.102 6.525 -25.852 683 HA CYS 87 HA CYS 87 9.757 5.156 -27.694 684 HB2 CYS 87 HB2 CYS 87 7.975 4.470 -25.598 685 HB3 CYS 87 HB3 CYS 87 7.450 3.591 -27.029 686 HG CYS 87 HG CYS 87 10.059 3.049 -25.061 687 H ILE 88 H ILE 88 6.192 5.253 -27.684 688 HA ILE 88 HA ILE 88 5.990 4.488 -30.405 689 HB ILE 88 HB ILE 88 3.662 4.747 -30.200 690 HG12 ILE 88 HG12 ILE 88 3.805 7.119 -29.357 691 HG13 ILE 88 HG13 ILE 88 2.543 6.145 -28.613 692 HG21 ILE 88 HG21 ILE 88 4.729 4.098 -27.456 693 HG22 ILE 88 HG22 ILE 88 3.123 3.689 -28.055 694 HG23 ILE 88 HG23 ILE 88 4.551 2.970 -28.799 695 HD11 ILE 88 HD11 ILE 88 4.026 5.770 -26.680 696 HD12 ILE 88 HD12 ILE 88 5.213 6.844 -27.419 697 HD13 ILE 88 HD13 ILE 88 3.635 7.470 -26.938 698 H LEU 89 H LEU 89 6.292 7.551 -28.799 699 HA LEU 89 HA LEU 89 5.328 9.170 -30.936 700 HB2 LEU 89 HB2 LEU 89 5.424 9.954 -28.620 701 HB3 LEU 89 HB3 LEU 89 7.183 9.858 -28.660 702 HG LEU 89 HG LEU 89 5.875 11.592 -30.679 703 HD11 LEU 89 HD11 LEU 89 6.044 12.285 -27.752 704 HD12 LEU 89 HD12 LEU 89 4.587 12.184 -28.740 705 HD13 LEU 89 HD13 LEU 89 5.773 13.452 -29.047 706 HD21 LEU 89 HD21 LEU 89 8.467 11.192 -29.483 707 HD22 LEU 89 HD22 LEU 89 7.969 12.880 -29.366 708 HD23 LEU 89 HD23 LEU 89 8.026 12.085 -30.939 709 H PHE 90 H PHE 90 8.636 8.569 -29.737 710 HA PHE 90 HA PHE 90 9.829 9.750 -32.060 711 HB2 PHE 90 HB2 PHE 90 10.768 9.525 -29.623 712 HB3 PHE 90 HB3 PHE 90 11.332 7.956 -30.190 713 HD1 PHE 90 HD1 PHE 90 11.468 11.586 -30.944 714 HD2 PHE 90 HD2 PHE 90 13.308 7.775 -31.404 715 HE1 PHE 90 HE1 PHE 90 13.440 12.663 -31.946 716 HE2 PHE 90 HE2 PHE 90 15.283 8.846 -32.406 717 HZ PHE 90 HZ PHE 90 15.350 11.293 -32.680 718 H ASN 91 H ASN 91 9.994 6.433 -30.752 719 HA ASN 91 HA ASN 91 9.307 5.111 -33.102 720 HB2 ASN 91 HB2 ASN 91 11.932 6.205 -33.216 721 HB3 ASN 91 HB3 ASN 91 12.088 4.455 -33.083 722 HD21 ASN 91 HD21 ASN 91 10.209 3.373 -34.494 723 HD22 ASN 91 HD22 ASN 91 10.210 3.906 -36.138 724 H GLY 92 H GLY 92 8.404 3.459 -32.041 725 HA2 GLY 92 HA2 GLY 92 10.128 1.630 -30.597 726 HA3 GLY 92 HA3 GLY 92 8.886 2.396 -29.617 727 H ALA 93 H ALA 93 6.623 2.182 -30.450 728 HA ALA 93 HA ALA 93 6.233 -0.564 -31.402 729 HB1 ALA 93 HB1 ALA 93 4.409 1.324 -29.925 730 HB2 ALA 93 HB2 ALA 93 3.900 -0.248 -30.546 731 HB3 ALA 93 HB3 ALA 93 5.160 -0.151 -29.315 732 H GLU 94 H GLU 94 4.285 2.406 -31.698 733 HA GLU 94 HA GLU 94 3.146 3.306 -33.449 734 HB2 GLU 94 HB2 GLU 94 5.742 2.993 -34.285 735 HB3 GLU 94 HB3 GLU 94 4.845 2.169 -35.554 736 HG2 GLU 94 HG2 GLU 94 4.234 4.964 -34.633 737 HG3 GLU 94 HG3 GLU 94 5.318 4.587 -35.971 738 H GLY 95 H GLY 95 2.764 0.401 -32.627 739 HA2 GLY 95 HA2 GLY 95 0.603 -0.233 -34.228 740 HA3 GLY 95 HA3 GLY 95 1.985 -1.031 -34.964 741 H ALA 96 H ALA 96 3.271 -1.402 -32.312 742 HA ALA 96 HA ALA 96 1.529 -3.553 -31.297 743 HB1 ALA 96 HB1 ALA 96 3.260 -4.683 -32.387 744 HB2 ALA 96 HB2 ALA 96 4.485 -3.551 -31.811 745 HB3 ALA 96 HB3 ALA 96 3.740 -4.690 -30.690 746 H TYR 97 H TYR 97 0.973 -1.443 -30.000 747 HA TYR 97 HA TYR 97 2.629 -0.368 -28.073 748 HB2 TYR 97 HB2 TYR 97 0.652 0.343 -26.921 749 HB3 TYR 97 HB3 TYR 97 0.301 0.389 -28.645 750 HD1 TYR 97 HD1 TYR 97 -1.240 -1.219 -29.645 751 HD2 TYR 97 HD2 TYR 97 -0.446 -1.247 -25.465 752 HE1 TYR 97 HE1 TYR 97 -3.216 -2.640 -29.285 753 HE2 TYR 97 HE2 TYR 97 -2.419 -2.668 -25.094 754 HH TYR 97 HH TYR 97 -3.778 -4.332 -26.495 755 H ALA 98 H ALA 98 1.039 -3.465 -28.125 756 HA ALA 98 HA ALA 98 1.073 -4.160 -25.439 757 HB1 ALA 98 HB1 ALA 98 0.366 -6.135 -26.191 758 HB2 ALA 98 HB2 ALA 98 0.479 -5.443 -27.810 759 HB3 ALA 98 HB3 ALA 98 1.822 -6.379 -27.155 760 H ASP 99 H ASP 99 3.696 -3.860 -27.685 761 HA ASP 99 HA ASP 99 5.606 -5.464 -26.374 762 HB2 ASP 99 HB2 ASP 99 6.123 -2.977 -28.016 763 HB3 ASP 99 HB3 ASP 99 7.262 -4.280 -27.689 764 H ALA 100 H ALA 100 4.582 -2.136 -25.913 765 HA ALA 100 HA ALA 100 6.678 -1.540 -24.027 766 HB1 ALA 100 HB1 ALA 100 6.124 0.471 -24.825 767 HB2 ALA 100 HB2 ALA 100 4.534 -0.078 -25.357 768 HB3 ALA 100 HB3 ALA 100 4.783 0.410 -23.681 769 H ALA 101 H ALA 101 3.436 -2.777 -23.919 770 HA ALA 101 HA ALA 101 2.907 -2.214 -21.182 771 HB1 ALA 101 HB1 ALA 101 1.260 -4.240 -21.597 772 HB2 ALA 101 HB2 ALA 101 0.957 -2.644 -22.284 773 HB3 ALA 101 HB3 ALA 101 1.669 -3.912 -23.281 774 H ARG 102 H ARG 102 4.571 -4.778 -22.862 775 HA ARG 102 HA ARG 102 4.539 -6.763 -20.899 776 HB2 ARG 102 HB2 ARG 102 5.537 -6.638 -23.381 777 HB3 ARG 102 HB3 ARG 102 7.028 -6.398 -22.479 778 HG2 ARG 102 HG2 ARG 102 5.320 -8.627 -21.583 779 HG3 ARG 102 HG3 ARG 102 6.075 -8.806 -23.168 780 HD2 ARG 102 HD2 ARG 102 7.957 -7.772 -21.248 781 HD3 ARG 102 HD3 ARG 102 7.235 -9.272 -20.667 782 HE ARG 102 HE ARG 102 9.054 -8.962 -22.871 783 HH11 ARG 102 HH11 ARG 102 6.557 -10.946 -21.474 784 HH12 ARG 102 HH12 ARG 102 7.076 -12.391 -22.277 785 HH21 ARG 102 HH21 ARG 102 9.746 -10.858 -23.933 786 HH22 ARG 102 HH22 ARG 102 8.890 -12.340 -23.675 787 H THR 103 H THR 103 6.983 -4.238 -21.488 788 HA THR 103 HA THR 103 8.575 -4.884 -19.243 789 HB THR 103 HB THR 103 9.540 -3.611 -21.051 790 HG1 THR 103 HG1 THR 103 10.336 -3.186 -18.920 791 HG21 THR 103 HG21 THR 103 7.543 -1.465 -20.326 792 HG22 THR 103 HG22 THR 103 7.572 -2.410 -21.815 793 HG23 THR 103 HG23 THR 103 8.872 -1.270 -21.468 794 H PHE 104 H PHE 104 5.812 -2.776 -19.697 795 HA PHE 104 HA PHE 104 5.997 -1.243 -17.372 796 HB2 PHE 104 HB2 PHE 104 4.408 -0.735 -19.161 797 HB3 PHE 104 HB3 PHE 104 3.517 -2.213 -18.808 798 HD1 PHE 104 HD1 PHE 104 4.305 1.174 -17.656 799 HD2 PHE 104 HD2 PHE 104 2.045 -2.357 -16.917 800 HE1 PHE 104 HE1 PHE 104 2.915 2.405 -16.042 801 HE2 PHE 104 HE2 PHE 104 0.651 -1.131 -15.303 802 HZ PHE 104 HZ PHE 104 1.085 1.253 -14.864 803 H GLU 105 H GLU 105 4.255 -4.301 -17.912 804 HA GLU 105 HA GLU 105 3.266 -4.614 -15.320 805 HB2 GLU 105 HB2 GLU 105 3.834 -6.473 -17.586 806 HB3 GLU 105 HB3 GLU 105 3.474 -7.162 -16.009 807 HG2 GLU 105 HG2 GLU 105 1.303 -6.661 -16.148 808 HG3 GLU 105 HG3 GLU 105 1.613 -5.070 -16.842 809 H LYS 106 H LYS 106 6.313 -5.718 -16.754 810 HA LYS 106 HA LYS 106 7.309 -7.237 -14.675 811 HB2 LYS 106 HB2 LYS 106 8.478 -5.703 -16.911 812 HB3 LYS 106 HB3 LYS 106 9.574 -6.038 -15.577 813 HG2 LYS 106 HG2 LYS 106 7.959 -8.148 -16.989 814 HG3 LYS 106 HG3 LYS 106 9.619 -7.720 -17.413 815 HD2 LYS 106 HD2 LYS 106 10.368 -9.092 -15.835 816 HD3 LYS 106 HD3 LYS 106 9.525 -8.141 -14.610 817 HE2 LYS 106 HE2 LYS 106 7.459 -9.461 -15.156 818 HE3 LYS 106 HE3 LYS 106 8.470 -10.502 -16.158 819 HZ1 LYS 106 HZ1 LYS 106 8.089 -10.573 -13.365 820 HZ2 LYS 106 HZ2 LYS 106 9.724 -10.292 -13.693 821 HZ3 LYS 106 HZ3 LYS 106 8.952 -11.649 -14.344 822 H PHE 107 H PHE 107 7.282 -3.736 -15.048 823 HA PHE 107 HA PHE 107 8.976 -3.134 -12.871 824 HB2 PHE 107 HB2 PHE 107 7.116 -1.650 -14.617 825 HB3 PHE 107 HB3 PHE 107 7.369 -0.946 -13.023 826 HD1 PHE 107 HD1 PHE 107 9.463 -2.528 -15.681 827 HD2 PHE 107 HD2 PHE 107 8.978 0.672 -12.917 828 HE1 PHE 107 HE1 PHE 107 11.578 -1.540 -16.459 829 HE2 PHE 107 HE2 PHE 107 11.091 1.666 -13.691 830 HZ PHE 107 HZ PHE 107 12.395 0.559 -15.463 831 H ALA 108 H ALA 108 5.438 -3.312 -13.137 832 HA ALA 108 HA ALA 108 4.728 -2.536 -10.588 833 HB1 ALA 108 HB1 ALA 108 3.306 -4.818 -11.894 834 HB2 ALA 108 HB2 ALA 108 2.645 -3.451 -10.997 835 HB3 ALA 108 HB3 ALA 108 3.272 -3.215 -12.628 836 H MET 109 H MET 109 5.581 -5.802 -11.709 837 HA MET 109 HA MET 109 5.189 -7.138 -9.285 838 HB2 MET 109 HB2 MET 109 5.967 -7.864 -11.812 839 HB3 MET 109 HB3 MET 109 7.442 -8.122 -10.890 840 HG2 MET 109 HG2 MET 109 6.566 -9.838 -9.697 841 HG3 MET 109 HG3 MET 109 4.931 -9.183 -9.744 842 HE1 MET 109 HE1 MET 109 4.566 -12.684 -11.223 843 HE2 MET 109 HE2 MET 109 6.286 -12.561 -10.853 844 HE3 MET 109 HE3 MET 109 5.096 -11.874 -9.748 845 H GLY 110 H GLY 110 8.042 -5.479 -10.570 846 HA2 GLY 110 HA2 GLY 110 9.867 -6.225 -8.580 847 HA3 GLY 110 HA3 GLY 110 9.968 -4.763 -9.549 848 H LYS 111 H LYS 111 7.755 -3.369 -8.754 849 HA LYS 111 HA LYS 111 8.583 -2.055 -6.475 850 HB2 LYS 111 HB2 LYS 111 6.670 -1.586 -8.299 851 HB3 LYS 111 HB3 LYS 111 5.656 -2.139 -6.972 852 HG2 LYS 111 HG2 LYS 111 6.792 -0.426 -5.528 853 HG3 LYS 111 HG3 LYS 111 7.537 0.206 -6.998 854 HD2 LYS 111 HD2 LYS 111 5.678 1.541 -6.874 855 HD3 LYS 111 HD3 LYS 111 5.048 0.217 -7.856 856 HE2 LYS 111 HE2 LYS 111 4.426 -0.789 -5.506 857 HE3 LYS 111 HE3 LYS 111 4.511 0.899 -5.004 858 HZ1 LYS 111 HZ1 LYS 111 2.283 -0.069 -5.836 859 HZ2 LYS 111 HZ2 LYS 111 2.940 0.156 -7.379 860 HZ3 LYS 111 HZ3 LYS 111 2.748 1.477 -6.340 861 H ILE 112 H ILE 112 6.195 -4.661 -6.758 862 HA ILE 112 HA ILE 112 5.344 -4.721 -4.100 863 HB ILE 112 HB ILE 112 5.609 -7.060 -5.993 864 HG12 ILE 112 HG12 ILE 112 3.152 -5.399 -5.438 865 HG13 ILE 112 HG13 ILE 112 4.251 -5.047 -6.767 866 HG21 ILE 112 HG21 ILE 112 4.368 -6.722 -3.315 867 HG22 ILE 112 HG22 ILE 112 3.537 -7.734 -4.495 868 HG23 ILE 112 HG23 ILE 112 5.190 -8.117 -4.015 869 HD11 ILE 112 HD11 ILE 112 3.649 -7.770 -6.974 870 HD12 ILE 112 HD12 ILE 112 2.125 -6.956 -6.620 871 HD13 ILE 112 HD13 ILE 112 3.090 -6.456 -8.009 872 H ASP 113 H ASP 113 8.076 -6.333 -5.667 873 HA ASP 113 HA ASP 113 8.890 -7.941 -3.536 874 HB2 ASP 113 HB2 ASP 113 10.506 -6.640 -5.734 875 HB3 ASP 113 HB3 ASP 113 11.157 -7.840 -4.621 876 H ALA 114 H ALA 114 9.855 -4.628 -4.379 877 HA ALA 114 HA ALA 114 11.695 -4.263 -2.289 878 HB1 ALA 114 HB1 ALA 114 10.560 -2.686 -4.369 879 HB2 ALA 114 HB2 ALA 114 10.476 -1.774 -2.861 880 HB3 ALA 114 HB3 ALA 114 12.026 -2.392 -3.432 881 H TYR 115 H TYR 115 8.217 -3.619 -2.483 882 HA TYR 115 HA TYR 115 7.789 -2.252 -0.146 883 HB2 TYR 115 HB2 TYR 115 5.914 -2.559 -1.523 884 HB3 TYR 115 HB3 TYR 115 6.131 -4.305 -1.587 885 HD1 TYR 115 HD1 TYR 115 6.019 -2.020 1.357 886 HD2 TYR 115 HD2 TYR 115 4.154 -5.207 -0.756 887 HE1 TYR 115 HE1 TYR 115 4.403 -2.284 3.192 888 HE2 TYR 115 HE2 TYR 115 2.532 -5.479 1.072 889 HH TYR 115 HH TYR 115 1.572 -4.015 2.913 890 H ILE 116 H ILE 116 8.018 -5.771 -0.553 891 HA ILE 116 HA ILE 116 7.568 -6.418 2.160 892 HB ILE 116 HB ILE 116 9.105 -8.011 0.106 893 HG12 ILE 116 HG12 ILE 116 6.835 -7.438 -0.657 894 HG13 ILE 116 HG13 ILE 116 6.986 -9.159 -0.322 895 HG21 ILE 116 HG21 ILE 116 9.590 -9.160 2.002 896 HG22 ILE 116 HG22 ILE 116 8.173 -8.560 2.861 897 HG23 ILE 116 HG23 ILE 116 8.004 -9.858 1.680 898 HD11 ILE 116 HD11 ILE 116 5.083 -7.353 0.677 899 HD12 ILE 116 HD12 ILE 116 5.284 -9.058 1.079 900 HD13 ILE 116 HD13 ILE 116 6.103 -7.823 2.036 901 H SER 117 H SER 117 10.472 -5.662 0.327 902 HA SER 117 HA SER 117 12.324 -6.422 2.343 903 HB2 SER 117 HB2 SER 117 12.433 -5.355 -0.310 904 HB3 SER 117 HB3 SER 117 13.454 -4.367 0.735 905 HG SER 117 HG SER 117 14.007 -6.731 -0.282 906 H GLN 118 H GLN 118 10.706 -3.399 1.523 907 HA GLN 118 HA GLN 118 11.847 -2.199 3.960 908 HB2 GLN 118 HB2 GLN 118 11.325 0.004 2.859 909 HB3 GLN 118 HB3 GLN 118 12.589 -0.938 2.079 910 HG2 GLN 118 HG2 GLN 118 10.049 -1.603 0.941 911 HG3 GLN 118 HG3 GLN 118 10.279 0.144 0.922 912 HE21 GLN 118 HE21 GLN 118 12.643 -2.467 0.635 913 HE22 GLN 118 HE22 GLN 118 13.215 -2.016 -0.932 914 H LYS 119 H LYS 119 10.187 -3.109 5.259 915 HA LYS 119 HA LYS 119 7.553 -1.840 4.885 916 HB2 LYS 119 HB2 LYS 119 8.308 -4.606 5.447 917 HB3 LYS 119 HB3 LYS 119 7.129 -3.975 6.590 918 HG2 LYS 119 HG2 LYS 119 5.992 -3.148 4.323 919 HG3 LYS 119 HG3 LYS 119 6.859 -4.556 3.706 920 HD2 LYS 119 HD2 LYS 119 4.781 -5.414 4.330 921 HD3 LYS 119 HD3 LYS 119 5.822 -5.808 5.700 922 HE2 LYS 119 HE2 LYS 119 4.977 -3.901 6.929 923 HE3 LYS 119 HE3 LYS 119 4.011 -3.401 5.542 924 HZ1 LYS 119 HZ1 LYS 119 3.666 -5.933 7.057 925 HZ2 LYS 119 HZ2 LYS 119 2.730 -5.434 5.738 926 HZ3 LYS 119 HZ3 LYS 119 2.678 -4.566 7.189 927 H VAL 120 H VAL 120 9.659 -3.226 7.408 928 HA VAL 120 HA VAL 120 8.430 -1.577 9.442 929 HB VAL 120 HB VAL 120 9.210 -3.911 9.893 930 HG11 VAL 120 HG11 VAL 120 11.303 -4.569 9.514 931 HG12 VAL 120 HG12 VAL 120 11.557 -3.027 8.693 932 HG13 VAL 120 HG13 VAL 120 11.964 -3.196 10.402 933 HG21 VAL 120 HG21 VAL 120 9.633 -3.454 12.094 934 HG22 VAL 120 HG22 VAL 120 10.753 -2.144 11.721 935 HG23 VAL 120 HG23 VAL 120 9.015 -1.885 11.576 936 H GLY 121 H GLY 121 10.776 -1.082 7.137 937 HA2 GLY 121 HA2 GLY 121 12.747 0.355 8.564 938 HA3 GLY 121 HA3 GLY 121 12.420 0.495 6.843 939 H GLY 122 H GLY 122 9.549 1.208 7.570 940 HA2 GLY 122 HA2 GLY 122 8.764 3.206 8.921 941 HA3 GLY 122 HA3 GLY 122 10.119 4.041 8.175 942 H LEU 123 H LEU 123 8.920 1.897 5.957 943 HA LEU 123 HA LEU 123 7.472 4.040 4.589 944 HB2 LEU 123 HB2 LEU 123 9.208 1.904 3.772 945 HB3 LEU 123 HB3 LEU 123 7.666 1.783 2.926 946 HG LEU 123 HG LEU 123 9.398 4.253 2.964 947 HD11 LEU 123 HD11 LEU 123 10.305 3.644 0.926 948 HD12 LEU 123 HD12 LEU 123 9.051 2.447 0.606 949 HD13 LEU 123 HD13 LEU 123 10.297 2.118 1.810 950 HD21 LEU 123 HD21 LEU 123 7.420 5.141 2.349 951 HD22 LEU 123 HD22 LEU 123 6.742 3.581 1.883 952 HD23 LEU 123 HD23 LEU 123 7.823 4.436 0.782 953 H GLU 124 H GLU 124 7.114 0.572 5.317 954 HA GLU 124 HA GLU 124 4.445 0.730 6.106 955 HB2 GLU 124 HB2 GLU 124 3.496 -0.508 4.032 956 HB3 GLU 124 HB3 GLU 124 3.666 1.241 3.978 957 HG2 GLU 124 HG2 GLU 124 5.712 1.038 2.710 958 HG3 GLU 124 HG3 GLU 124 5.641 -0.719 2.830 Start of MODEL 19 1 H1 MET 1 H1 MET 1 0.697 -0.187 -3.546 2 HA MET 1 HA MET 1 2.199 1.801 -3.736 3 HB2 MET 1 HB2 MET 1 -0.098 2.124 -1.797 4 HB3 MET 1 HB3 MET 1 0.680 3.424 -2.690 5 HG2 MET 1 HG2 MET 1 -0.632 3.084 -4.433 6 HG3 MET 1 HG3 MET 1 -0.171 1.384 -4.505 7 HE1 MET 1 HE1 MET 1 -3.654 3.170 -4.498 8 HE2 MET 1 HE2 MET 1 -3.787 3.386 -2.753 9 HE3 MET 1 HE3 MET 1 -2.401 4.048 -3.619 10 H SER 2 H SER 2 3.980 2.609 -2.862 11 HA SER 2 HA SER 2 4.917 1.837 -0.312 12 HB2 SER 2 HB2 SER 2 5.836 3.883 -2.322 13 HB3 SER 2 HB3 SER 2 6.641 3.704 -0.763 14 HG SER 2 HG SER 2 7.722 2.234 -1.833 15 H GLN 3 H GLN 3 5.918 3.866 1.043 16 HA GLN 3 HA GLN 3 3.538 5.321 1.943 17 HB2 GLN 3 HB2 GLN 3 5.489 3.906 3.331 18 HB3 GLN 3 HB3 GLN 3 5.897 5.591 3.622 19 HG2 GLN 3 HG2 GLN 3 3.302 4.204 4.231 20 HG3 GLN 3 HG3 GLN 3 4.469 4.863 5.376 21 HE21 GLN 3 HE21 GLN 3 4.987 7.298 4.690 22 HE22 GLN 3 HE22 GLN 3 3.573 8.280 4.555 23 H ASN 4 H ASN 4 3.318 7.400 1.479 24 HA ASN 4 HA ASN 4 5.365 8.864 0.140 25 HB2 ASN 4 HB2 ASN 4 3.719 10.782 0.378 26 HB3 ASN 4 HB3 ASN 4 3.120 9.360 -0.472 27 HD21 ASN 4 HD21 ASN 4 2.529 11.559 1.965 28 HD22 ASN 4 HD22 ASN 4 1.243 10.727 2.766 29 H ARG 5 H ARG 5 7.064 8.734 1.737 30 HA ARG 5 HA ARG 5 7.133 11.060 3.412 31 HB2 ARG 5 HB2 ARG 5 5.948 9.499 4.896 32 HB3 ARG 5 HB3 ARG 5 7.254 8.335 4.718 33 HG2 ARG 5 HG2 ARG 5 8.798 9.916 5.778 34 HG3 ARG 5 HG3 ARG 5 7.471 11.062 5.977 35 HD2 ARG 5 HD2 ARG 5 7.479 8.275 7.123 36 HD3 ARG 5 HD3 ARG 5 8.002 9.705 8.012 37 HE ARG 5 HE ARG 5 5.438 10.185 7.006 38 HH11 ARG 5 HH11 ARG 5 7.032 8.140 9.330 39 HH12 ARG 5 HH12 ARG 5 5.643 8.004 10.357 40 HH21 ARG 5 HH21 ARG 5 3.603 10.014 8.351 41 HH22 ARG 5 HH22 ARG 5 3.693 9.069 9.799 42 H GLN 6 H GLN 6 8.815 7.940 3.685 43 HA GLN 6 HA GLN 6 11.238 9.211 2.618 44 HB2 GLN 6 HB2 GLN 6 12.570 8.589 4.402 45 HB3 GLN 6 HB3 GLN 6 11.072 9.017 5.218 46 HG2 GLN 6 HG2 GLN 6 11.985 6.235 4.521 47 HG3 GLN 6 HG3 GLN 6 11.999 6.972 6.122 48 HE21 GLN 6 HE21 GLN 6 10.489 4.718 4.529 49 HE22 GLN 6 HE22 GLN 6 8.871 4.892 5.109 50 H LEU 7 H LEU 7 12.802 7.744 1.750 51 HA LEU 7 HA LEU 7 11.618 5.170 0.947 52 HB2 LEU 7 HB2 LEU 7 13.159 7.224 -0.492 53 HB3 LEU 7 HB3 LEU 7 13.614 5.557 -0.838 54 HG LEU 7 HG LEU 7 11.886 6.721 -2.355 55 HD11 LEU 7 HD11 LEU 7 12.000 4.560 -2.949 56 HD12 LEU 7 HD12 LEU 7 10.466 4.429 -2.090 57 HD13 LEU 7 HD13 LEU 7 11.970 3.991 -1.280 58 HD21 LEU 7 HD21 LEU 7 10.589 7.344 -0.136 59 HD22 LEU 7 HD22 LEU 7 9.858 5.762 -0.408 60 HD23 LEU 7 HD23 LEU 7 9.738 7.012 -1.646 61 H LEU 8 H LEU 8 12.475 3.497 1.973 62 HA LEU 8 HA LEU 8 14.728 3.491 3.566 63 HB2 LEU 8 HB2 LEU 8 12.843 1.594 2.629 64 HB3 LEU 8 HB3 LEU 8 14.449 0.903 2.410 65 HG LEU 8 HG LEU 8 14.880 1.389 4.838 66 HD11 LEU 8 HD11 LEU 8 12.036 1.456 5.474 67 HD12 LEU 8 HD12 LEU 8 12.610 2.912 4.661 68 HD13 LEU 8 HD13 LEU 8 13.376 2.378 6.157 69 HD21 LEU 8 HD21 LEU 8 14.132 -0.673 5.416 70 HD22 LEU 8 HD22 LEU 8 13.858 -0.785 3.677 71 HD23 LEU 8 HD23 LEU 8 12.519 -0.396 4.757 72 H TYR 9 H TYR 9 14.607 1.726 0.474 73 HA TYR 9 HA TYR 9 16.938 2.928 -0.592 74 HB2 TYR 9 HB2 TYR 9 18.289 0.706 -0.466 75 HB3 TYR 9 HB3 TYR 9 18.298 1.795 0.917 76 HD1 TYR 9 HD1 TYR 9 17.083 1.220 2.961 77 HD2 TYR 9 HD2 TYR 9 17.197 -1.445 -0.353 78 HE1 TYR 9 HE1 TYR 9 16.288 -0.603 4.408 79 HE2 TYR 9 HE2 TYR 9 16.402 -3.275 1.084 80 HH TYR 9 HH TYR 9 15.281 -3.654 3.133 81 HA PRO 10 HA PRO 10 14.209 0.645 -3.542 82 HB2 PRO 10 HB2 PRO 10 14.077 2.681 -5.333 83 HB3 PRO 10 HB3 PRO 10 12.990 2.550 -3.945 84 HG2 PRO 10 HG2 PRO 10 15.455 4.217 -4.270 85 HG3 PRO 10 HG3 PRO 10 13.893 4.657 -3.556 86 HD2 PRO 10 HD2 PRO 10 16.046 3.993 -2.054 87 HD3 PRO 10 HD3 PRO 10 14.383 3.639 -1.547 88 H ARG 11 H ARG 11 15.326 -0.784 -4.707 89 HA ARG 11 HA ARG 11 16.828 -0.138 -6.960 90 HB2 ARG 11 HB2 ARG 11 19.094 -0.971 -6.037 91 HB3 ARG 11 HB3 ARG 11 18.617 0.691 -5.717 92 HG2 ARG 11 HG2 ARG 11 18.582 0.372 -3.512 93 HG3 ARG 11 HG3 ARG 11 17.730 -1.167 -3.659 94 HD2 ARG 11 HD2 ARG 11 20.134 -1.900 -4.589 95 HD3 ARG 11 HD3 ARG 11 20.628 -0.600 -3.505 96 HE ARG 11 HE ARG 11 18.813 -2.493 -2.319 97 HH11 ARG 11 HH11 ARG 11 22.144 -1.730 -2.983 98 HH12 ARG 11 HH12 ARG 11 22.760 -2.698 -1.685 99 HH21 ARG 11 HH21 ARG 11 19.612 -3.770 -0.606 100 HH22 ARG 11 HH22 ARG 11 21.319 -3.858 -0.334 101 H GLU 12 H GLU 12 16.232 -2.403 -4.351 102 HA GLU 12 HA GLU 12 17.192 -4.756 -5.437 103 HB2 GLU 12 HB2 GLU 12 16.241 -4.510 -3.155 104 HB3 GLU 12 HB3 GLU 12 14.633 -4.434 -3.860 105 HG2 GLU 12 HG2 GLU 12 14.782 -6.633 -3.208 106 HG3 GLU 12 HG3 GLU 12 15.245 -6.717 -4.906 107 H GLU 13 H GLU 13 14.369 -2.913 -6.305 108 HA GLU 13 HA GLU 13 13.244 -5.033 -7.925 109 HB2 GLU 13 HB2 GLU 13 11.481 -3.474 -8.442 110 HB3 GLU 13 HB3 GLU 13 11.810 -3.401 -6.716 111 HG2 GLU 13 HG2 GLU 13 13.198 -1.384 -7.126 112 HG3 GLU 13 HG3 GLU 13 12.683 -1.428 -8.811 113 H MET 14 H MET 14 15.133 -2.110 -8.365 114 HA MET 14 HA MET 14 14.894 -1.694 -11.081 115 HB2 MET 14 HB2 MET 14 16.175 -0.279 -9.447 116 HB3 MET 14 HB3 MET 14 17.475 -1.460 -9.529 117 HG2 MET 14 HG2 MET 14 16.453 -0.235 -12.044 118 HG3 MET 14 HG3 MET 14 17.530 0.690 -11.001 119 HE1 MET 14 HE1 MET 14 20.077 -2.136 -10.365 120 HE2 MET 14 HE2 MET 14 20.657 -0.553 -10.883 121 HE3 MET 14 HE3 MET 14 19.300 -0.671 -9.763 122 H VAL 15 H VAL 15 17.347 -3.716 -9.460 123 HA VAL 15 HA VAL 15 18.595 -4.715 -11.726 124 HB VAL 15 HB VAL 15 19.375 -6.564 -10.364 125 HG11 VAL 15 HG11 VAL 15 20.585 -4.615 -9.926 126 HG12 VAL 15 HG12 VAL 15 19.248 -3.871 -9.047 127 HG13 VAL 15 HG13 VAL 15 20.143 -5.210 -8.326 128 HG21 VAL 15 HG21 VAL 15 17.247 -7.141 -9.300 129 HG22 VAL 15 HG22 VAL 15 18.530 -6.946 -8.107 130 HG23 VAL 15 HG23 VAL 15 17.332 -5.671 -8.329 131 H SER 16 H SER 16 15.558 -5.616 -10.267 132 HA SER 16 HA SER 16 15.187 -8.134 -11.424 133 HB2 SER 16 HB2 SER 16 13.713 -6.510 -9.768 134 HB3 SER 16 HB3 SER 16 12.750 -6.503 -11.245 135 HG SER 16 HG SER 16 12.146 -8.450 -10.780 136 H LEU 17 H LEU 17 14.049 -4.959 -12.582 137 HA LEU 17 HA LEU 17 12.899 -5.808 -14.962 138 HB2 LEU 17 HB2 LEU 17 14.333 -3.209 -14.439 139 HB3 LEU 17 HB3 LEU 17 13.194 -3.514 -15.749 140 HG LEU 17 HG LEU 17 11.780 -2.465 -14.330 141 HD11 LEU 17 HD11 LEU 17 11.728 -5.136 -12.948 142 HD12 LEU 17 HD12 LEU 17 11.052 -4.860 -14.553 143 HD13 LEU 17 HD13 LEU 17 10.399 -3.996 -13.161 144 HD21 LEU 17 HD21 LEU 17 12.342 -3.274 -11.697 145 HD22 LEU 17 HD22 LEU 17 12.631 -1.697 -12.431 146 HD23 LEU 17 HD23 LEU 17 13.896 -2.926 -12.458 147 H VAL 18 H VAL 18 16.114 -4.287 -14.648 148 HA VAL 18 HA VAL 18 17.034 -4.741 -17.202 149 HB VAL 18 HB VAL 18 18.234 -3.390 -15.516 150 HG11 VAL 18 HG11 VAL 18 19.084 -6.061 -14.400 151 HG12 VAL 18 HG12 VAL 18 19.699 -4.487 -13.895 152 HG13 VAL 18 HG13 VAL 18 18.009 -4.906 -13.615 153 HG21 VAL 18 HG21 VAL 18 19.272 -4.572 -17.629 154 HG22 VAL 18 HG22 VAL 18 20.284 -3.674 -16.498 155 HG23 VAL 18 HG23 VAL 18 20.208 -5.433 -16.408 156 H ARG 19 H ARG 19 16.841 -6.979 -14.518 157 HA ARG 19 HA ARG 19 18.494 -8.999 -15.634 158 HB2 ARG 19 HB2 ARG 19 16.575 -8.803 -13.376 159 HB3 ARG 19 HB3 ARG 19 16.922 -10.415 -13.987 160 HG2 ARG 19 HG2 ARG 19 19.196 -8.595 -13.378 161 HG3 ARG 19 HG3 ARG 19 18.333 -9.366 -12.046 162 HD2 ARG 19 HD2 ARG 19 19.411 -10.901 -14.398 163 HD3 ARG 19 HD3 ARG 19 20.360 -10.595 -12.943 164 HE ARG 19 HE ARG 19 17.877 -11.726 -12.238 165 HH11 ARG 19 HH11 ARG 19 20.908 -12.561 -13.734 166 HH12 ARG 19 HH12 ARG 19 20.831 -14.226 -13.262 167 HH21 ARG 19 HH21 ARG 19 17.765 -13.917 -11.611 168 HH22 ARG 19 HH22 ARG 19 19.042 -14.997 -12.056 169 H SER 20 H SER 20 15.034 -8.329 -15.760 170 HA SER 20 HA SER 20 14.179 -10.710 -16.945 171 HB2 SER 20 HB2 SER 20 12.149 -9.633 -17.338 172 HB3 SER 20 HB3 SER 20 12.817 -8.685 -16.010 173 HG SER 20 HG SER 20 13.731 -7.360 -17.848 174 H LEU 21 H LEU 21 15.584 -7.810 -18.345 175 HA LEU 21 HA LEU 21 15.334 -8.953 -21.032 176 HB2 LEU 21 HB2 LEU 21 15.845 -6.790 -21.879 177 HB3 LEU 21 HB3 LEU 21 14.631 -6.603 -20.614 178 HG LEU 21 HG LEU 21 17.213 -6.289 -19.446 179 HD11 LEU 21 HD11 LEU 21 18.376 -4.907 -20.774 180 HD12 LEU 21 HD12 LEU 21 16.929 -4.093 -21.368 181 HD13 LEU 21 HD13 LEU 21 17.427 -5.631 -22.073 182 HD21 LEU 21 HD21 LEU 21 14.747 -4.661 -19.857 183 HD22 LEU 21 HD22 LEU 21 16.204 -3.884 -19.237 184 HD23 LEU 21 HD23 LEU 21 15.484 -5.234 -18.360 185 H ASP 22 H ASP 22 17.241 -8.726 -22.482 186 HA ASP 22 HA ASP 22 19.850 -8.346 -21.571 187 HB2 ASP 22 HB2 ASP 22 18.907 -10.622 -20.436 188 HB3 ASP 22 HB3 ASP 22 19.584 -11.268 -21.928 189 H ARG 23 H ARG 23 18.596 -7.567 -23.823 190 HA ARG 23 HA ARG 23 19.902 -9.184 -25.911 191 HB2 ARG 23 HB2 ARG 23 18.054 -8.268 -27.434 192 HB3 ARG 23 HB3 ARG 23 17.617 -9.545 -26.306 193 HG2 ARG 23 HG2 ARG 23 17.239 -6.978 -25.081 194 HG3 ARG 23 HG3 ARG 23 16.393 -7.054 -26.628 195 HD2 ARG 23 HD2 ARG 23 15.068 -7.815 -24.628 196 HD3 ARG 23 HD3 ARG 23 15.160 -8.964 -25.962 197 HE ARG 23 HE ARG 23 17.236 -9.572 -24.226 198 HH11 ARG 23 HH11 ARG 23 13.756 -9.500 -24.173 199 HH12 ARG 23 HH12 ARG 23 13.617 -10.770 -23.003 200 HH21 ARG 23 HH21 ARG 23 17.067 -11.245 -22.685 201 HH22 ARG 23 HH22 ARG 23 15.502 -11.762 -22.157 202 HA PRO 24 HA PRO 24 21.444 -4.759 -25.860 203 HB2 PRO 24 HB2 PRO 24 24.077 -5.393 -25.674 204 HB3 PRO 24 HB3 PRO 24 23.038 -5.178 -24.260 205 HG2 PRO 24 HG2 PRO 24 23.910 -7.707 -25.604 206 HG3 PRO 24 HG3 PRO 24 23.809 -7.338 -23.872 207 HD2 PRO 24 HD2 PRO 24 21.913 -8.771 -25.168 208 HD3 PRO 24 HD3 PRO 24 21.536 -7.709 -23.796 209 H GLN 25 H GLN 25 20.574 -5.140 -28.104 210 HA GLN 25 HA GLN 25 22.172 -6.307 -30.118 211 HB2 GLN 25 HB2 GLN 25 20.102 -4.131 -30.448 212 HB3 GLN 25 HB3 GLN 25 20.679 -5.231 -31.693 213 HG2 GLN 25 HG2 GLN 25 19.002 -5.891 -29.290 214 HG3 GLN 25 HG3 GLN 25 18.549 -5.994 -30.990 215 HE21 GLN 25 HE21 GLN 25 20.456 -7.329 -32.193 216 HE22 GLN 25 HE22 GLN 25 20.691 -8.896 -31.504 217 H GLU 26 H GLU 26 21.662 -2.894 -29.230 218 HA GLU 26 HA GLU 26 23.724 -1.993 -31.021 219 HB2 GLU 26 HB2 GLU 26 21.641 -0.794 -29.415 220 HB3 GLU 26 HB3 GLU 26 23.162 0.059 -29.195 221 HG2 GLU 26 HG2 GLU 26 22.651 -0.520 -31.981 222 HG3 GLU 26 HG3 GLU 26 21.344 0.408 -31.248 223 H ASN 27 H ASN 27 23.358 -2.175 -27.487 224 HA ASN 27 HA ASN 27 24.879 -2.068 -25.791 225 HB2 ASN 27 HB2 ASN 27 25.454 -4.244 -26.982 226 HB3 ASN 27 HB3 ASN 27 26.784 -3.370 -27.737 227 HD21 ASN 27 HD21 ASN 27 25.418 -4.332 -24.642 228 HD22 ASN 27 HD22 ASN 27 26.914 -4.338 -23.777 229 H GLY 28 H GLY 28 24.758 0.350 -26.654 230 HA2 GLY 28 HA2 GLY 28 27.378 1.408 -26.294 231 HA3 GLY 28 HA3 GLY 28 26.864 1.568 -27.967 232 H LEU 29 H LEU 29 24.071 1.965 -27.363 233 HA LEU 29 HA LEU 29 23.897 4.294 -25.670 234 HB2 LEU 29 HB2 LEU 29 24.845 5.123 -27.838 235 HB3 LEU 29 HB3 LEU 29 23.352 4.604 -28.616 236 HG LEU 29 HG LEU 29 22.965 6.404 -26.331 237 HD11 LEU 29 HD11 LEU 29 24.570 7.855 -26.884 238 HD12 LEU 29 HD12 LEU 29 23.555 8.241 -28.273 239 HD13 LEU 29 HD13 LEU 29 24.869 7.076 -28.438 240 HD21 LEU 29 HD21 LEU 29 21.198 5.636 -27.898 241 HD22 LEU 29 HD22 LEU 29 22.008 6.525 -29.187 242 HD23 LEU 29 HD23 LEU 29 21.343 7.392 -27.802 243 H PHE 30 H PHE 30 22.385 2.235 -28.105 244 HA PHE 30 HA PHE 30 19.717 2.916 -27.217 245 HB2 PHE 30 HB2 PHE 30 20.904 1.322 -29.414 246 HB3 PHE 30 HB3 PHE 30 19.329 0.788 -28.836 247 HD1 PHE 30 HD1 PHE 30 21.020 4.005 -29.697 248 HD2 PHE 30 HD2 PHE 30 17.514 1.606 -29.957 249 HE1 PHE 30 HE1 PHE 30 19.935 5.744 -31.059 250 HE2 PHE 30 HE2 PHE 30 16.424 3.341 -31.321 251 HZ PHE 30 HZ PHE 30 17.634 5.413 -31.872 252 H SER 31 H SER 31 22.008 1.214 -25.781 253 HA SER 31 HA SER 31 20.123 -0.404 -24.306 254 HB2 SER 31 HB2 SER 31 22.486 -1.828 -25.523 255 HB3 SER 31 HB3 SER 31 21.083 -2.529 -24.717 256 HG SER 31 HG SER 31 20.006 -2.433 -26.525 257 H GLN 32 H GLN 32 22.143 1.822 -24.001 258 HA GLN 32 HA GLN 32 23.128 1.014 -21.444 259 HB2 GLN 32 HB2 GLN 32 24.837 0.641 -23.715 260 HB3 GLN 32 HB3 GLN 32 25.509 1.901 -22.690 261 HG2 GLN 32 HG2 GLN 32 26.215 0.418 -21.209 262 HG3 GLN 32 HG3 GLN 32 24.618 -0.321 -21.101 263 HE21 GLN 32 HE21 GLN 32 24.187 -1.419 -23.469 264 HE22 GLN 32 HE22 GLN 32 25.389 -2.599 -23.854 265 H ASP 33 H ASP 33 24.800 2.840 -20.691 266 HA ASP 33 HA ASP 33 23.427 5.370 -21.248 267 HB2 ASP 33 HB2 ASP 33 25.168 4.475 -18.948 268 HB3 ASP 33 HB3 ASP 33 24.614 6.135 -19.148 269 H VAL 34 H VAL 34 24.355 6.556 -22.781 270 HA VAL 34 HA VAL 34 26.953 6.300 -23.742 271 HB VAL 34 HB VAL 34 25.254 7.428 -25.043 272 HG11 VAL 34 HG11 VAL 34 24.635 9.802 -24.399 273 HG12 VAL 34 HG12 VAL 34 23.924 8.514 -23.424 274 HG13 VAL 34 HG13 VAL 34 25.295 9.436 -22.805 275 HG21 VAL 34 HG21 VAL 34 27.139 9.665 -24.546 276 HG22 VAL 34 HG22 VAL 34 27.824 8.107 -25.008 277 HG23 VAL 34 HG23 VAL 34 26.657 8.905 -26.063 278 H LEU 35 H LEU 35 25.739 8.043 -21.000 279 HA LEU 35 HA LEU 35 27.884 9.854 -20.665 280 HB2 LEU 35 HB2 LEU 35 25.467 9.355 -19.415 281 HB3 LEU 35 HB3 LEU 35 26.665 8.964 -18.183 282 HG LEU 35 HG LEU 35 26.333 11.606 -19.601 283 HD11 LEU 35 HD11 LEU 35 26.136 11.181 -16.657 284 HD12 LEU 35 HD12 LEU 35 24.756 10.794 -17.684 285 HD13 LEU 35 HD13 LEU 35 25.410 12.432 -17.667 286 HD21 LEU 35 HD21 LEU 35 28.114 12.411 -18.143 287 HD22 LEU 35 HD22 LEU 35 28.692 11.117 -19.192 288 HD23 LEU 35 HD23 LEU 35 28.334 10.784 -17.498 289 H LEU 36 H LEU 36 27.700 6.498 -20.289 290 HA LEU 36 HA LEU 36 29.992 6.448 -18.451 291 HB2 LEU 36 HB2 LEU 36 27.947 4.396 -19.228 292 HB3 LEU 36 HB3 LEU 36 29.455 3.940 -18.439 293 HG LEU 36 HG LEU 36 28.799 5.488 -16.556 294 HD11 LEU 36 HD11 LEU 36 26.031 5.437 -16.807 295 HD12 LEU 36 HD12 LEU 36 26.616 5.987 -18.377 296 HD13 LEU 36 HD13 LEU 36 27.081 6.850 -16.911 297 HD21 LEU 36 HD21 LEU 36 28.400 2.896 -16.833 298 HD22 LEU 36 HD22 LEU 36 26.706 3.390 -16.816 299 HD23 LEU 36 HD23 LEU 36 27.752 3.782 -15.451 300 H GLN 37 H GLN 37 30.149 7.153 -21.297 301 HA GLN 37 HA GLN 37 31.641 4.873 -22.383 302 HB2 GLN 37 HB2 GLN 37 30.785 7.415 -23.776 303 HB3 GLN 37 HB3 GLN 37 31.503 5.999 -24.534 304 HG2 GLN 37 HG2 GLN 37 28.904 5.866 -23.043 305 HG3 GLN 37 HG3 GLN 37 28.993 6.293 -24.751 306 HE21 GLN 37 HE21 GLN 37 27.637 4.055 -23.707 307 HE22 GLN 37 HE22 GLN 37 28.406 2.632 -24.317 308 H TYR 38 H TYR 38 32.026 8.404 -22.652 309 HA TYR 38 HA TYR 38 34.631 8.346 -21.442 310 HB2 TYR 38 HB2 TYR 38 34.315 8.412 -24.407 311 HB3 TYR 38 HB3 TYR 38 35.561 9.424 -23.685 312 HD1 TYR 38 HD1 TYR 38 36.709 7.882 -21.584 313 HD2 TYR 38 HD2 TYR 38 35.267 6.539 -25.355 314 HE1 TYR 38 HE1 TYR 38 38.220 5.945 -21.465 315 HE2 TYR 38 HE2 TYR 38 36.773 4.597 -25.246 316 HH TYR 38 HH TYR 38 38.661 3.896 -22.368 317 HA PRO 39 HA PRO 39 33.715 12.566 -20.669 318 HB2 PRO 39 HB2 PRO 39 36.193 13.675 -20.624 319 HB3 PRO 39 HB3 PRO 39 35.589 12.619 -19.342 320 HG2 PRO 39 HG2 PRO 39 37.395 11.969 -21.639 321 HG3 PRO 39 HG3 PRO 39 37.518 11.467 -19.943 322 HD2 PRO 39 HD2 PRO 39 36.533 9.845 -21.875 323 HD3 PRO 39 HD3 PRO 39 35.958 9.789 -20.196 324 H GLU 40 H GLU 40 32.678 12.767 -22.824 325 HA GLU 40 HA GLU 40 33.613 15.033 -24.201 326 HB2 GLU 40 HB2 GLU 40 33.905 13.794 -26.455 327 HB3 GLU 40 HB3 GLU 40 35.246 13.806 -25.318 328 HG2 GLU 40 HG2 GLU 40 33.622 11.547 -24.752 329 HG3 GLU 40 HG3 GLU 40 33.939 11.587 -26.485 330 H LEU 41 H LEU 41 31.635 12.132 -24.250 331 HA LEU 41 HA LEU 41 29.579 13.566 -25.784 332 HB2 LEU 41 HB2 LEU 41 28.546 11.265 -25.973 333 HB3 LEU 41 HB3 LEU 41 30.055 11.532 -26.843 334 HG LEU 41 HG LEU 41 29.717 9.305 -25.596 335 HD11 LEU 41 HD11 LEU 41 32.257 10.105 -24.601 336 HD12 LEU 41 HD12 LEU 41 31.986 10.901 -26.151 337 HD13 LEU 41 HD13 LEU 41 31.882 9.145 -26.032 338 HD21 LEU 41 HD21 LEU 41 30.302 9.286 -23.265 339 HD22 LEU 41 HD22 LEU 41 28.930 10.369 -23.497 340 HD23 LEU 41 HD23 LEU 41 30.548 11.033 -23.269 341 H ALA 42 H ALA 42 30.382 13.297 -22.713 342 HA ALA 42 HA ALA 42 28.081 12.302 -21.413 343 HB1 ALA 42 HB1 ALA 42 28.952 13.721 -19.478 344 HB2 ALA 42 HB2 ALA 42 30.014 12.457 -20.099 345 HB3 ALA 42 HB3 ALA 42 30.291 14.140 -20.547 346 H GLU 43 H GLU 43 28.734 15.269 -23.030 347 HA GLU 43 HA GLU 43 26.764 16.848 -21.684 348 HB2 GLU 43 HB2 GLU 43 28.368 17.187 -24.200 349 HB3 GLU 43 HB3 GLU 43 27.071 18.306 -23.805 350 HG2 GLU 43 HG2 GLU 43 28.165 18.902 -21.736 351 HG3 GLU 43 HG3 GLU 43 29.431 17.712 -22.035 352 H SER 44 H SER 44 26.894 15.276 -24.876 353 HA SER 44 HA SER 44 24.344 15.955 -25.750 354 HB2 SER 44 HB2 SER 44 24.772 14.576 -27.511 355 HB3 SER 44 HB3 SER 44 26.400 14.569 -26.833 356 HG SER 44 HG SER 44 26.004 12.613 -25.899 357 H TYR 45 H TYR 45 25.371 13.539 -23.470 358 HA TYR 45 HA TYR 45 23.252 11.780 -23.442 359 HB2 TYR 45 HB2 TYR 45 25.090 11.288 -22.041 360 HB3 TYR 45 HB3 TYR 45 24.982 12.838 -21.215 361 HD1 TYR 45 HD1 TYR 45 23.320 13.206 -19.470 362 HD2 TYR 45 HD2 TYR 45 23.637 9.446 -21.436 363 HE1 TYR 45 HE1 TYR 45 21.957 12.174 -17.702 364 HE2 TYR 45 HE2 TYR 45 22.273 8.404 -19.675 365 HH TYR 45 HH TYR 45 21.834 9.405 -16.855 366 H THR 46 H THR 46 23.441 15.019 -22.099 367 HA THR 46 HA THR 46 20.982 14.887 -20.661 368 HB THR 46 HB THR 46 21.205 17.241 -20.307 369 HG1 THR 46 HG1 THR 46 23.104 17.172 -22.434 370 HG21 THR 46 HG21 THR 46 23.093 15.470 -19.533 371 HG22 THR 46 HG22 THR 46 23.081 17.163 -19.044 372 HG23 THR 46 HG23 THR 46 24.092 16.642 -20.391 373 H LYS 47 H LYS 47 21.893 15.803 -23.917 374 HA LYS 47 HA LYS 47 19.454 17.071 -24.619 375 HB2 LYS 47 HB2 LYS 47 21.389 17.525 -25.945 376 HB3 LYS 47 HB3 LYS 47 21.645 15.816 -26.270 377 HG2 LYS 47 HG2 LYS 47 19.071 16.990 -27.143 378 HG3 LYS 47 HG3 LYS 47 20.525 17.455 -28.030 379 HD2 LYS 47 HD2 LYS 47 20.475 14.610 -27.545 380 HD3 LYS 47 HD3 LYS 47 19.006 15.136 -28.371 381 HE2 LYS 47 HE2 LYS 47 20.887 16.508 -29.753 382 HE3 LYS 47 HE3 LYS 47 21.793 15.060 -29.316 383 HZ1 LYS 47 HZ1 LYS 47 20.784 14.025 -30.974 384 HZ2 LYS 47 HZ2 LYS 47 19.815 15.373 -31.303 385 HZ3 LYS 47 HZ3 LYS 47 19.300 14.214 -30.184 386 H VAL 48 H VAL 48 20.559 13.749 -24.647 387 HA VAL 48 HA VAL 48 18.142 12.857 -26.019 388 HB VAL 48 HB VAL 48 20.270 11.037 -24.930 389 HG11 VAL 48 HG11 VAL 48 18.112 10.880 -26.984 390 HG12 VAL 48 HG12 VAL 48 19.545 9.864 -27.152 391 HG13 VAL 48 HG13 VAL 48 18.537 9.738 -25.709 392 HG21 VAL 48 HG21 VAL 48 20.350 12.614 -27.496 393 HG22 VAL 48 HG22 VAL 48 21.517 12.651 -26.174 394 HG23 VAL 48 HG23 VAL 48 21.363 11.207 -27.174 395 H CYS 49 H CYS 49 18.370 13.955 -23.161 396 HA CYS 49 HA CYS 49 17.329 13.619 -21.168 397 HB2 CYS 49 HB2 CYS 49 15.791 12.025 -23.090 398 HB3 CYS 49 HB3 CYS 49 15.646 11.458 -21.431 399 HG CYS 49 HG CYS 49 13.798 13.123 -20.839 400 HA PRO 50 HA PRO 50 19.478 10.519 -18.933 401 HB2 PRO 50 HB2 PRO 50 17.782 9.960 -16.887 402 HB3 PRO 50 HB3 PRO 50 18.681 11.478 -17.003 403 HG2 PRO 50 HG2 PRO 50 15.836 10.900 -17.735 404 HG3 PRO 50 HG3 PRO 50 16.509 12.300 -16.880 405 HD2 PRO 50 HD2 PRO 50 15.867 12.370 -19.509 406 HD3 PRO 50 HD3 PRO 50 17.208 13.313 -18.829 407 H ASN 51 H ASN 51 19.158 9.018 -20.814 408 HA ASN 51 HA ASN 51 18.780 6.906 -21.571 409 HB2 ASN 51 HB2 ASN 51 17.563 6.269 -18.884 410 HB3 ASN 51 HB3 ASN 51 18.333 5.160 -20.014 411 HD21 ASN 51 HD21 ASN 51 20.627 6.444 -20.652 412 HD22 ASN 51 HD22 ASN 51 21.623 6.622 -19.251 413 H ARG 52 H ARG 52 17.159 5.778 -22.624 414 HA ARG 52 HA ARG 52 14.381 6.299 -21.963 415 HB2 ARG 52 HB2 ARG 52 15.655 7.214 -24.539 416 HB3 ARG 52 HB3 ARG 52 13.923 6.962 -24.377 417 HG2 ARG 52 HG2 ARG 52 14.344 8.558 -22.262 418 HG3 ARG 52 HG3 ARG 52 15.632 9.120 -23.331 419 HD2 ARG 52 HD2 ARG 52 12.667 9.106 -23.806 420 HD3 ARG 52 HD3 ARG 52 13.780 10.473 -23.839 421 HE ARG 52 HE ARG 52 13.239 8.616 -25.976 422 HH11 ARG 52 HH11 ARG 52 15.477 10.943 -24.673 423 HH12 ARG 52 HH12 ARG 52 16.225 11.274 -26.200 424 HH21 ARG 52 HH21 ARG 52 14.215 9.043 -27.993 425 HH22 ARG 52 HH22 ARG 52 15.505 10.194 -28.088 426 H CYS 53 H CYS 53 16.387 4.044 -22.263 427 HA CYS 53 HA CYS 53 14.993 2.443 -24.293 428 HB2 CYS 53 HB2 CYS 53 17.643 1.996 -22.906 429 HB3 CYS 53 HB3 CYS 53 16.919 0.875 -24.053 430 HG CYS 53 HG CYS 53 17.243 4.001 -25.213 431 H ASP 54 H ASP 54 16.674 1.473 -21.324 432 HA ASP 54 HA ASP 54 14.453 0.820 -19.780 433 HB2 ASP 54 HB2 ASP 54 15.061 -1.118 -21.883 434 HB3 ASP 54 HB3 ASP 54 15.051 -1.834 -20.273 435 H LEU 55 H LEU 55 17.142 -1.373 -20.509 436 HA LEU 55 HA LEU 55 17.918 -1.653 -17.826 437 HB2 LEU 55 HB2 LEU 55 19.751 -2.902 -18.618 438 HB3 LEU 55 HB3 LEU 55 18.425 -3.209 -19.737 439 HG LEU 55 HG LEU 55 20.440 -3.002 -21.001 440 HD11 LEU 55 HD11 LEU 55 18.967 -0.390 -21.277 441 HD12 LEU 55 HD12 LEU 55 18.359 -1.933 -21.877 442 HD13 LEU 55 HD13 LEU 55 19.857 -1.264 -22.524 443 HD21 LEU 55 HD21 LEU 55 21.335 -1.374 -19.022 444 HD22 LEU 55 HD22 LEU 55 21.005 -0.207 -20.303 445 HD23 LEU 55 HD23 LEU 55 22.107 -1.552 -20.599 446 H ALA 56 H ALA 56 18.474 0.863 -20.039 447 HA ALA 56 HA ALA 56 20.907 1.800 -18.754 448 HB1 ALA 56 HB1 ALA 56 20.894 2.127 -21.087 449 HB2 ALA 56 HB2 ALA 56 19.273 2.822 -21.061 450 HB3 ALA 56 HB3 ALA 56 20.630 3.722 -20.383 451 H THR 57 H THR 57 17.481 2.523 -18.826 452 HA THR 57 HA THR 57 17.730 4.992 -17.373 453 HB THR 57 HB THR 57 15.278 3.307 -17.921 454 HG1 THR 57 HG1 THR 57 16.490 4.315 -19.745 455 HG21 THR 57 HG21 THR 57 14.325 4.641 -16.391 456 HG22 THR 57 HG22 THR 57 14.469 5.916 -17.600 457 HG23 THR 57 HG23 THR 57 15.707 5.736 -16.357 458 H ALA 58 H ALA 58 17.031 1.634 -16.606 459 HA ALA 58 HA ALA 58 16.292 2.150 -13.885 460 HB1 ALA 58 HB1 ALA 58 17.175 -0.548 -14.296 461 HB2 ALA 58 HB2 ALA 58 15.549 0.061 -13.983 462 HB3 ALA 58 HB3 ALA 58 16.152 -0.035 -15.638 463 H ALA 59 H ALA 59 19.178 0.776 -15.455 464 HA ALA 59 HA ALA 59 20.699 0.333 -13.168 465 HB1 ALA 59 HB1 ALA 59 21.414 0.876 -16.023 466 HB2 ALA 59 HB2 ALA 59 22.671 0.704 -14.797 467 HB3 ALA 59 HB3 ALA 59 21.550 -0.623 -15.102 468 H ASP 60 H ASP 60 20.375 3.249 -15.146 469 HA ASP 60 HA ASP 60 22.347 4.776 -13.833 470 HB2 ASP 60 HB2 ASP 60 21.123 5.232 -16.069 471 HB3 ASP 60 HB3 ASP 60 19.884 5.983 -15.067 472 H ARG 61 H ARG 61 18.881 4.378 -13.261 473 HA ARG 61 HA ARG 61 18.469 6.352 -11.367 474 HB2 ARG 61 HB2 ARG 61 17.089 4.024 -12.291 475 HB3 ARG 61 HB3 ARG 61 17.010 4.064 -10.535 476 HG2 ARG 61 HG2 ARG 61 15.093 5.179 -11.500 477 HG3 ARG 61 HG3 ARG 61 16.103 6.335 -10.631 478 HD2 ARG 61 HD2 ARG 61 16.683 5.977 -13.506 479 HD3 ARG 61 HD3 ARG 61 15.155 6.761 -13.107 480 HE ARG 61 HE ARG 61 17.778 7.867 -12.839 481 HH11 ARG 61 HH11 ARG 61 14.546 7.923 -11.547 482 HH12 ARG 61 HH12 ARG 61 14.681 9.535 -10.929 483 HH21 ARG 61 HH21 ARG 61 17.968 9.991 -12.030 484 HH22 ARG 61 HH22 ARG 61 16.628 10.711 -11.204 485 H ALA 62 H ALA 62 19.566 3.010 -10.857 486 HA ALA 62 HA ALA 62 19.857 3.308 -8.033 487 HB1 ALA 62 HB1 ALA 62 19.477 1.118 -8.868 488 HB2 ALA 62 HB2 ALA 62 20.854 1.226 -9.965 489 HB3 ALA 62 HB3 ALA 62 21.119 1.143 -8.223 490 H ALA 63 H ALA 63 22.187 3.176 -10.724 491 HA ALA 63 HA ALA 63 24.525 3.491 -9.264 492 HB1 ALA 63 HB1 ALA 63 25.414 4.552 -11.402 493 HB2 ALA 63 HB2 ALA 63 24.749 2.922 -11.530 494 HB3 ALA 63 HB3 ALA 63 23.795 4.308 -12.060 495 H LYS 64 H LYS 64 22.089 5.824 -10.096 496 HA LYS 64 HA LYS 64 23.573 8.188 -9.769 497 HB2 LYS 64 HB2 LYS 64 20.663 7.498 -9.591 498 HB3 LYS 64 HB3 LYS 64 21.206 9.097 -9.100 499 HG2 LYS 64 HG2 LYS 64 22.385 8.500 -11.612 500 HG3 LYS 64 HG3 LYS 64 20.660 8.136 -11.706 501 HD2 LYS 64 HD2 LYS 64 20.883 10.408 -12.323 502 HD3 LYS 64 HD3 LYS 64 20.260 10.413 -10.672 503 HE2 LYS 64 HE2 LYS 64 22.379 10.974 -9.778 504 HE3 LYS 64 HE3 LYS 64 23.193 10.631 -11.303 505 HZ1 LYS 64 HZ1 LYS 64 21.139 12.653 -11.471 506 HZ2 LYS 64 HZ2 LYS 64 22.709 12.648 -12.103 507 HZ3 LYS 64 HZ3 LYS 64 22.449 13.078 -10.488 508 H GLY 65 H GLY 65 22.379 5.901 -7.486 509 HA2 GLY 65 HA2 GLY 65 23.514 6.026 -5.287 510 HA3 GLY 65 HA3 GLY 65 23.127 7.740 -5.296 511 H ALA 66 H ALA 66 20.755 5.575 -6.534 512 HA ALA 66 HA ALA 66 18.619 5.142 -5.858 513 HB1 ALA 66 HB1 ALA 66 19.911 4.723 -3.167 514 HB2 ALA 66 HB2 ALA 66 18.403 4.017 -3.750 515 HB3 ALA 66 HB3 ALA 66 19.938 3.547 -4.481 516 H TYR 67 H TYR 67 18.382 7.579 -6.190 517 HA TYR 67 HA TYR 67 18.339 9.466 -4.198 518 HB2 TYR 67 HB2 TYR 67 17.264 9.213 -6.828 519 HB3 TYR 67 HB3 TYR 67 16.017 9.895 -5.790 520 HD1 TYR 67 HD1 TYR 67 16.326 12.073 -4.739 521 HD2 TYR 67 HD2 TYR 67 19.301 10.436 -7.302 522 HE1 TYR 67 HE1 TYR 67 17.391 14.283 -4.905 523 HE2 TYR 67 HE2 TYR 67 20.375 12.642 -7.474 524 HH TYR 67 HH TYR 67 20.447 14.727 -6.609 525 H GLY 68 H GLY 68 17.539 9.146 -2.213 526 HA2 GLY 68 HA2 GLY 68 15.168 7.579 -1.749 527 HA3 GLY 68 HA3 GLY 68 16.112 8.431 -0.536 528 H TYR 69 H TYR 69 13.851 8.842 0.249 529 HA TYR 69 HA TYR 69 12.082 10.232 0.590 530 HB2 TYR 69 HB2 TYR 69 14.157 11.794 0.690 531 HB3 TYR 69 HB3 TYR 69 13.586 12.387 -0.866 532 HD1 TYR 69 HD1 TYR 69 12.091 11.589 2.474 533 HD2 TYR 69 HD2 TYR 69 12.349 14.323 -0.776 534 HE1 TYR 69 HE1 TYR 69 10.533 13.100 3.630 535 HE2 TYR 69 HE2 TYR 69 10.792 15.842 0.371 536 HH TYR 69 HH TYR 69 10.022 15.593 3.598 537 H ASP 70 H ASP 70 10.664 9.138 -0.810 538 HA ASP 70 HA ASP 70 9.980 10.678 -3.208 539 HB2 ASP 70 HB2 ASP 70 11.284 8.298 -3.445 540 HB3 ASP 70 HB3 ASP 70 9.605 7.766 -3.476 541 H VAL 71 H VAL 71 7.919 11.258 -3.152 542 HA VAL 71 HA VAL 71 6.130 10.480 -1.146 543 HB VAL 71 HB VAL 71 5.692 11.838 -3.796 544 HG11 VAL 71 HG11 VAL 71 3.640 10.700 -3.392 545 HG12 VAL 71 HG12 VAL 71 3.656 11.152 -1.686 546 HG13 VAL 71 HG13 VAL 71 3.405 12.384 -2.923 547 HG21 VAL 71 HG21 VAL 71 5.534 13.823 -2.553 548 HG22 VAL 71 HG22 VAL 71 5.316 12.954 -1.034 549 HG23 VAL 71 HG23 VAL 71 6.888 12.952 -1.833 550 H GLN 72 H GLN 72 6.478 9.373 -4.488 551 HA GLN 72 HA GLN 72 5.174 6.885 -3.823 552 HB2 GLN 72 HB2 GLN 72 3.509 8.846 -4.699 553 HB3 GLN 72 HB3 GLN 72 3.976 8.108 -6.226 554 HG2 GLN 72 HG2 GLN 72 2.418 6.580 -5.881 555 HG3 GLN 72 HG3 GLN 72 3.389 5.970 -4.542 556 HE21 GLN 72 HE21 GLN 72 3.033 7.032 -2.433 557 HE22 GLN 72 HE22 GLN 72 1.424 7.516 -2.029 558 H LEU 73 H LEU 73 7.792 7.401 -4.547 559 HA LEU 73 HA LEU 73 9.442 6.771 -5.981 560 HB2 LEU 73 HB2 LEU 73 7.294 4.938 -7.037 561 HB3 LEU 73 HB3 LEU 73 9.025 4.771 -7.320 562 HG LEU 73 HG LEU 73 8.588 3.190 -5.678 563 HD11 LEU 73 HD11 LEU 73 10.348 5.028 -5.119 564 HD12 LEU 73 HD12 LEU 73 9.899 3.835 -3.902 565 HD13 LEU 73 HD13 LEU 73 9.211 5.457 -3.842 566 HD21 LEU 73 HD21 LEU 73 7.057 3.363 -3.926 567 HD22 LEU 73 HD22 LEU 73 6.253 4.173 -5.271 568 HD23 LEU 73 HD23 LEU 73 7.025 5.126 -4.002 569 H THR 74 H THR 74 8.183 9.084 -6.750 570 HA THR 74 HA THR 74 7.193 9.153 -9.369 571 HB THR 74 HB THR 74 7.115 11.039 -7.688 572 HG1 THR 74 HG1 THR 74 6.928 12.472 -9.326 573 HG21 THR 74 HG21 THR 74 9.769 10.794 -7.496 574 HG22 THR 74 HG22 THR 74 8.933 12.313 -7.180 575 HG23 THR 74 HG23 THR 74 9.700 12.038 -8.744 576 H THR 75 H THR 75 10.419 8.838 -8.157 577 HA THR 75 HA THR 75 11.878 9.769 -10.366 578 HB THR 75 HB THR 75 13.619 8.028 -9.518 579 HG1 THR 75 HG1 THR 75 12.558 6.690 -8.202 580 HG21 THR 75 HG21 THR 75 12.597 10.339 -7.875 581 HG22 THR 75 HG22 THR 75 13.908 10.348 -9.053 582 HG23 THR 75 HG23 THR 75 14.102 9.492 -7.524 583 H LEU 76 H LEU 76 10.802 6.472 -9.556 584 HA LEU 76 HA LEU 76 11.733 5.409 -12.059 585 HB2 LEU 76 HB2 LEU 76 11.260 4.307 -9.650 586 HB3 LEU 76 HB3 LEU 76 9.756 3.895 -10.472 587 HG LEU 76 HG LEU 76 11.565 3.086 -12.314 588 HD11 LEU 76 HD11 LEU 76 13.484 3.613 -10.941 589 HD12 LEU 76 HD12 LEU 76 13.335 1.865 -11.119 590 HD13 LEU 76 HD13 LEU 76 12.837 2.643 -9.617 591 HD21 LEU 76 HD21 LEU 76 11.115 0.838 -11.537 592 HD22 LEU 76 HD22 LEU 76 9.657 1.821 -11.406 593 HD23 LEU 76 HD23 LEU 76 10.606 1.455 -9.964 594 H LYS 77 H LYS 77 8.655 6.441 -10.706 595 HA LYS 77 HA LYS 77 6.993 5.446 -12.757 596 HB2 LYS 77 HB2 LYS 77 6.581 6.696 -10.356 597 HB3 LYS 77 HB3 LYS 77 6.128 7.956 -11.495 598 HG2 LYS 77 HG2 LYS 77 4.164 6.744 -10.940 599 HG3 LYS 77 HG3 LYS 77 4.606 6.309 -12.593 600 HD2 LYS 77 HD2 LYS 77 3.975 4.313 -11.410 601 HD3 LYS 77 HD3 LYS 77 5.716 4.272 -11.701 602 HE2 LYS 77 HE2 LYS 77 4.940 5.527 -9.169 603 HE3 LYS 77 HE3 LYS 77 4.512 3.822 -9.294 604 HZ1 LYS 77 HZ1 LYS 77 6.627 3.679 -8.488 605 HZ2 LYS 77 HZ2 LYS 77 7.161 5.077 -9.276 606 HZ3 LYS 77 HZ3 LYS 77 6.960 3.640 -10.146 607 H GLU 78 H GLU 78 8.771 8.462 -12.379 608 HA GLU 78 HA GLU 78 7.630 9.674 -14.720 609 HB2 GLU 78 HB2 GLU 78 8.391 11.113 -12.945 610 HB3 GLU 78 HB3 GLU 78 10.002 10.413 -13.004 611 HG2 GLU 78 HG2 GLU 78 10.648 11.762 -14.648 612 HG3 GLU 78 HG3 GLU 78 9.162 11.507 -15.560 613 H ASP 79 H ASP 79 10.398 7.696 -13.995 614 HA ASP 79 HA ASP 79 11.770 8.229 -16.462 615 HB2 ASP 79 HB2 ASP 79 12.185 6.484 -14.102 616 HB3 ASP 79 HB3 ASP 79 12.890 5.925 -15.616 617 H ILE 80 H ILE 80 9.875 5.506 -15.181 618 HA ILE 80 HA ILE 80 10.046 3.863 -17.442 619 HB ILE 80 HB ILE 80 9.244 3.024 -15.296 620 HG12 ILE 80 HG12 ILE 80 7.363 1.681 -16.117 621 HG13 ILE 80 HG13 ILE 80 7.129 2.806 -17.451 622 HG21 ILE 80 HG21 ILE 80 6.581 4.300 -15.710 623 HG22 ILE 80 HG22 ILE 80 7.330 3.712 -14.227 624 HG23 ILE 80 HG23 ILE 80 7.875 5.225 -14.949 625 HD11 ILE 80 HD11 ILE 80 8.282 0.792 -18.168 626 HD12 ILE 80 HD12 ILE 80 9.312 2.212 -18.344 627 HD13 ILE 80 HD13 ILE 80 9.565 1.100 -16.998 628 H ARG 81 H ARG 81 7.807 6.457 -16.619 629 HA ARG 81 HA ARG 81 6.074 6.005 -18.848 630 HB2 ARG 81 HB2 ARG 81 4.924 7.958 -18.163 631 HB3 ARG 81 HB3 ARG 81 5.463 7.178 -16.682 632 HG2 ARG 81 HG2 ARG 81 7.257 8.747 -16.435 633 HG3 ARG 81 HG3 ARG 81 6.909 9.457 -18.013 634 HD2 ARG 81 HD2 ARG 81 4.645 9.391 -16.136 635 HD3 ARG 81 HD3 ARG 81 5.988 10.427 -15.655 636 HE ARG 81 HE ARG 81 4.232 10.787 -17.943 637 HH11 ARG 81 HH11 ARG 81 7.113 11.760 -16.249 638 HH12 ARG 81 HH12 ARG 81 7.212 13.301 -17.034 639 HH21 ARG 81 HH21 ARG 81 4.351 12.814 -18.984 640 HH22 ARG 81 HH22 ARG 81 5.639 13.900 -18.589 641 H LEU 82 H LEU 82 8.929 7.936 -18.257 642 HA LEU 82 HA LEU 82 8.718 9.635 -20.506 643 HB2 LEU 82 HB2 LEU 82 10.199 10.010 -18.545 644 HB3 LEU 82 HB3 LEU 82 11.226 8.699 -19.120 645 HG LEU 82 HG LEU 82 11.970 11.095 -19.596 646 HD11 LEU 82 HD11 LEU 82 11.735 9.420 -22.068 647 HD12 LEU 82 HD12 LEU 82 12.732 8.911 -20.706 648 HD13 LEU 82 HD13 LEU 82 13.078 10.430 -21.532 649 HD21 LEU 82 HD21 LEU 82 10.928 12.362 -21.198 650 HD22 LEU 82 HD22 LEU 82 9.535 11.586 -20.444 651 HD23 LEU 82 HD23 LEU 82 10.171 10.966 -21.968 652 H MET 83 H MET 83 10.394 6.547 -19.999 653 HA MET 83 HA MET 83 11.588 6.370 -22.531 654 HB2 MET 83 HB2 MET 83 10.650 4.097 -20.773 655 HB3 MET 83 HB3 MET 83 11.842 3.991 -22.062 656 HG2 MET 83 HG2 MET 83 13.489 4.824 -20.789 657 HG3 MET 83 HG3 MET 83 12.428 5.981 -19.988 658 HE1 MET 83 HE1 MET 83 11.250 2.207 -19.975 659 HE2 MET 83 HE2 MET 83 12.958 2.169 -20.410 660 HE3 MET 83 HE3 MET 83 12.429 1.516 -18.860 661 H VAL 84 H VAL 84 8.563 4.898 -21.347 662 HA VAL 84 HA VAL 84 7.776 3.750 -23.775 663 HB VAL 84 HB VAL 84 6.735 3.160 -21.636 664 HG11 VAL 84 HG11 VAL 84 6.674 5.405 -20.654 665 HG12 VAL 84 HG12 VAL 84 5.412 5.866 -21.798 666 HG13 VAL 84 HG13 VAL 84 5.096 4.622 -20.588 667 HG21 VAL 84 HG21 VAL 84 4.637 4.277 -23.483 668 HG22 VAL 84 HG22 VAL 84 5.577 2.831 -23.850 669 HG23 VAL 84 HG23 VAL 84 4.521 2.861 -22.438 670 H ASN 85 H ASN 85 7.349 6.993 -22.500 671 HA ASN 85 HA ASN 85 5.403 7.938 -24.261 672 HB2 ASN 85 HB2 ASN 85 7.559 9.207 -22.634 673 HB3 ASN 85 HB3 ASN 85 6.757 10.187 -23.857 674 HD21 ASN 85 HD21 ASN 85 6.720 10.411 -20.951 675 HD22 ASN 85 HD22 ASN 85 5.059 10.321 -20.486 676 H ASN 86 H ASN 86 8.947 8.032 -24.555 677 HA ASN 86 HA ASN 86 8.811 9.110 -27.226 678 HB2 ASN 86 HB2 ASN 86 10.665 9.466 -25.427 679 HB3 ASN 86 HB3 ASN 86 11.294 7.931 -26.018 680 HD21 ASN 86 HD21 ASN 86 10.379 11.184 -26.999 681 HD22 ASN 86 HD22 ASN 86 11.459 11.279 -28.344 682 H CYS 87 H CYS 87 8.860 5.999 -25.776 683 HA CYS 87 HA CYS 87 10.049 4.482 -27.815 684 HB2 CYS 87 HB2 CYS 87 9.550 3.628 -25.540 685 HB3 CYS 87 HB3 CYS 87 7.835 3.641 -25.932 686 HG CYS 87 HG CYS 87 8.898 1.005 -25.978 687 H ILE 88 H ILE 88 6.597 5.118 -27.189 688 HA ILE 88 HA ILE 88 5.823 3.969 -29.715 689 HB ILE 88 HB ILE 88 3.551 4.614 -29.118 690 HG12 ILE 88 HG12 ILE 88 3.600 5.564 -26.552 691 HG13 ILE 88 HG13 ILE 88 4.986 6.388 -27.259 692 HG21 ILE 88 HG21 ILE 88 4.431 3.635 -26.500 693 HG22 ILE 88 HG22 ILE 88 3.331 2.912 -27.673 694 HG23 ILE 88 HG23 ILE 88 5.074 2.737 -27.875 695 HD11 ILE 88 HD11 ILE 88 3.457 7.906 -27.856 696 HD12 ILE 88 HD12 ILE 88 3.129 6.787 -29.178 697 HD13 ILE 88 HD13 ILE 88 2.120 6.762 -27.732 698 H LEU 89 H LEU 89 6.442 7.155 -28.435 699 HA LEU 89 HA LEU 89 5.196 8.605 -30.549 700 HB2 LEU 89 HB2 LEU 89 5.566 9.639 -28.400 701 HB3 LEU 89 HB3 LEU 89 7.306 9.403 -28.551 702 HG LEU 89 HG LEU 89 6.475 10.923 -30.786 703 HD11 LEU 89 HD11 LEU 89 5.322 11.883 -28.176 704 HD12 LEU 89 HD12 LEU 89 4.461 11.554 -29.679 705 HD13 LEU 89 HD13 LEU 89 5.575 12.918 -29.581 706 HD21 LEU 89 HD21 LEU 89 8.659 11.101 -29.873 707 HD22 LEU 89 HD22 LEU 89 8.032 11.542 -28.284 708 HD23 LEU 89 HD23 LEU 89 7.879 12.665 -29.636 709 H PHE 90 H PHE 90 8.665 8.449 -29.738 710 HA PHE 90 HA PHE 90 9.619 9.376 -32.165 711 HB2 PHE 90 HB2 PHE 90 10.957 9.070 -30.067 712 HB3 PHE 90 HB3 PHE 90 11.004 7.343 -30.407 713 HD1 PHE 90 HD1 PHE 90 12.182 10.650 -31.460 714 HD2 PHE 90 HD2 PHE 90 12.408 6.453 -32.134 715 HE1 PHE 90 HE1 PHE 90 14.178 10.985 -32.858 716 HE2 PHE 90 HE2 PHE 90 14.405 6.782 -33.532 717 HZ PHE 90 HZ PHE 90 15.292 9.050 -33.897 718 H ASN 91 H ASN 91 9.571 5.958 -31.135 719 HA ASN 91 HA ASN 91 8.448 4.931 -33.468 720 HB2 ASN 91 HB2 ASN 91 11.256 5.616 -33.721 721 HB3 ASN 91 HB3 ASN 91 10.994 3.893 -33.976 722 HD21 ASN 91 HD21 ASN 91 8.795 3.593 -35.295 723 HD22 ASN 91 HD22 ASN 91 8.765 4.488 -36.772 724 H GLY 92 H GLY 92 7.506 3.252 -32.504 725 HA2 GLY 92 HA2 GLY 92 9.103 1.100 -31.472 726 HA3 GLY 92 HA3 GLY 92 8.221 1.947 -30.210 727 H ALA 93 H ALA 93 5.829 2.220 -30.651 728 HA ALA 93 HA ALA 93 4.788 -0.363 -31.539 729 HB1 ALA 93 HB1 ALA 93 4.058 0.217 -29.366 730 HB2 ALA 93 HB2 ALA 93 3.607 1.846 -29.872 731 HB3 ALA 93 HB3 ALA 93 2.673 0.458 -30.431 732 H GLU 94 H GLU 94 3.308 2.868 -31.635 733 HA GLU 94 HA GLU 94 2.142 3.958 -33.255 734 HB2 GLU 94 HB2 GLU 94 4.569 3.334 -34.349 735 HB3 GLU 94 HB3 GLU 94 3.465 2.623 -35.517 736 HG2 GLU 94 HG2 GLU 94 2.295 4.992 -35.275 737 HG3 GLU 94 HG3 GLU 94 3.935 5.462 -34.831 738 H GLY 95 H GLY 95 1.456 1.102 -32.427 739 HA2 GLY 95 HA2 GLY 95 -0.929 0.815 -33.802 740 HA3 GLY 95 HA3 GLY 95 0.248 -0.154 -34.676 741 H ALA 96 H ALA 96 1.726 -0.755 -32.174 742 HA ALA 96 HA ALA 96 -0.193 -2.660 -30.997 743 HB1 ALA 96 HB1 ALA 96 2.747 -3.214 -31.222 744 HB2 ALA 96 HB2 ALA 96 1.424 -4.347 -30.942 745 HB3 ALA 96 HB3 ALA 96 1.628 -3.604 -32.528 746 H TYR 97 H TYR 97 -0.365 -0.583 -29.601 747 HA TYR 97 HA TYR 97 1.599 0.274 -27.866 748 HB2 TYR 97 HB2 TYR 97 -0.232 0.985 -26.374 749 HB3 TYR 97 HB3 TYR 97 -0.561 1.390 -28.055 750 HD1 TYR 97 HD1 TYR 97 -2.253 0.112 -29.327 751 HD2 TYR 97 HD2 TYR 97 -1.616 -0.556 -25.174 752 HE1 TYR 97 HE1 TYR 97 -4.414 -1.054 -29.189 753 HE2 TYR 97 HE2 TYR 97 -3.775 -1.725 -25.024 754 HH TYR 97 HH TYR 97 -5.593 -2.381 -26.110 755 H ALA 98 H ALA 98 -0.282 -2.654 -27.778 756 HA ALA 98 HA ALA 98 -0.005 -3.421 -25.127 757 HB1 ALA 98 HB1 ALA 98 -1.196 -5.103 -25.947 758 HB2 ALA 98 HB2 ALA 98 -0.744 -4.668 -27.596 759 HB3 ALA 98 HB3 ALA 98 0.278 -5.759 -26.661 760 H ASP 99 H ASP 99 2.344 -3.370 -27.689 761 HA ASP 99 HA ASP 99 4.228 -5.159 -26.596 762 HB2 ASP 99 HB2 ASP 99 4.495 -2.834 -28.498 763 HB3 ASP 99 HB3 ASP 99 5.870 -3.830 -28.029 764 H ALA 100 H ALA 100 3.696 -1.703 -26.146 765 HA ALA 100 HA ALA 100 6.025 -1.377 -24.481 766 HB1 ALA 100 HB1 ALA 100 5.584 0.865 -24.515 767 HB2 ALA 100 HB2 ALA 100 4.758 0.369 -25.993 768 HB3 ALA 100 HB3 ALA 100 3.835 0.635 -24.514 769 H ALA 101 H ALA 101 2.704 -2.213 -24.036 770 HA ALA 101 HA ALA 101 2.462 -1.455 -21.306 771 HB1 ALA 101 HB1 ALA 101 0.906 -3.586 -22.762 772 HB2 ALA 101 HB2 ALA 101 0.427 -2.723 -21.300 773 HB3 ALA 101 HB3 ALA 101 0.543 -1.862 -22.835 774 H ARG 102 H ARG 102 3.714 -4.264 -22.952 775 HA ARG 102 HA ARG 102 3.651 -6.115 -20.852 776 HB2 ARG 102 HB2 ARG 102 4.404 -6.248 -23.429 777 HB3 ARG 102 HB3 ARG 102 5.991 -6.164 -22.675 778 HG2 ARG 102 HG2 ARG 102 5.366 -8.463 -23.012 779 HG3 ARG 102 HG3 ARG 102 5.405 -8.108 -21.284 780 HD2 ARG 102 HD2 ARG 102 2.806 -7.533 -21.981 781 HD3 ARG 102 HD3 ARG 102 3.184 -8.937 -22.979 782 HE ARG 102 HE ARG 102 4.042 -9.441 -20.360 783 HH11 ARG 102 HH11 ARG 102 1.094 -9.019 -22.163 784 HH12 ARG 102 HH12 ARG 102 0.155 -10.030 -21.115 785 HH21 ARG 102 HH21 ARG 102 2.817 -10.774 -18.973 786 HH22 ARG 102 HH22 ARG 102 1.136 -11.026 -19.300 787 H THR 103 H THR 103 6.282 -3.938 -21.869 788 HA THR 103 HA THR 103 8.032 -4.621 -19.762 789 HB THR 103 HB THR 103 8.904 -3.553 -21.748 790 HG1 THR 103 HG1 THR 103 10.313 -2.293 -20.679 791 HG21 THR 103 HG21 THR 103 7.005 -2.169 -22.352 792 HG22 THR 103 HG22 THR 103 8.449 -1.167 -22.212 793 HG23 THR 103 HG23 THR 103 7.247 -1.166 -20.922 794 H PHE 104 H PHE 104 5.454 -2.270 -20.051 795 HA PHE 104 HA PHE 104 6.089 -0.714 -17.783 796 HB2 PHE 104 HB2 PHE 104 4.536 0.093 -19.476 797 HB3 PHE 104 HB3 PHE 104 3.421 -1.221 -19.116 798 HD1 PHE 104 HD1 PHE 104 4.760 1.985 -17.988 799 HD2 PHE 104 HD2 PHE 104 2.052 -1.184 -17.127 800 HE1 PHE 104 HE1 PHE 104 3.650 3.396 -16.306 801 HE2 PHE 104 HE2 PHE 104 0.936 0.223 -15.444 802 HZ PHE 104 HZ PHE 104 1.736 2.515 -15.031 803 H GLU 105 H GLU 105 3.795 -3.405 -18.203 804 HA GLU 105 HA GLU 105 2.826 -3.548 -15.616 805 HB2 GLU 105 HB2 GLU 105 3.082 -5.440 -17.874 806 HB3 GLU 105 HB3 GLU 105 2.854 -6.168 -16.290 807 HG2 GLU 105 HG2 GLU 105 0.778 -5.114 -15.985 808 HG3 GLU 105 HG3 GLU 105 1.059 -3.997 -17.319 809 H LYS 106 H LYS 106 5.749 -5.004 -16.978 810 HA LYS 106 HA LYS 106 6.528 -6.554 -14.804 811 HB2 LYS 106 HB2 LYS 106 7.765 -5.502 -17.214 812 HB3 LYS 106 HB3 LYS 106 8.904 -5.570 -15.876 813 HG2 LYS 106 HG2 LYS 106 9.106 -7.618 -17.013 814 HG3 LYS 106 HG3 LYS 106 8.187 -7.966 -15.546 815 HD2 LYS 106 HD2 LYS 106 6.286 -8.441 -16.690 816 HD3 LYS 106 HD3 LYS 106 6.618 -7.250 -17.949 817 HE2 LYS 106 HE2 LYS 106 7.673 -8.746 -19.251 818 HE3 LYS 106 HE3 LYS 106 8.497 -9.498 -17.885 819 HZ1 LYS 106 HZ1 LYS 106 7.062 -11.161 -17.987 820 HZ2 LYS 106 HZ2 LYS 106 6.264 -10.433 -19.289 821 HZ3 LYS 106 HZ3 LYS 106 5.773 -10.103 -17.704 822 H PHE 107 H PHE 107 7.286 -3.160 -15.528 823 HA PHE 107 HA PHE 107 8.994 -2.606 -13.432 824 HB2 PHE 107 HB2 PHE 107 7.248 -1.052 -15.197 825 HB3 PHE 107 HB3 PHE 107 7.521 -0.288 -13.635 826 HD1 PHE 107 HD1 PHE 107 9.555 -2.140 -16.163 827 HD2 PHE 107 HD2 PHE 107 9.227 1.231 -13.585 828 HE1 PHE 107 HE1 PHE 107 11.743 -1.332 -16.946 829 HE2 PHE 107 HE2 PHE 107 11.413 2.045 -14.365 830 HZ PHE 107 HZ PHE 107 12.674 0.764 -16.048 831 H ALA 108 H ALA 108 5.447 -2.448 -13.463 832 HA ALA 108 HA ALA 108 5.101 -1.528 -10.839 833 HB1 ALA 108 HB1 ALA 108 2.928 -1.638 -11.332 834 HB2 ALA 108 HB2 ALA 108 3.440 -2.154 -12.940 835 HB3 ALA 108 HB3 ALA 108 3.015 -3.356 -11.721 836 H MET 109 H MET 109 5.324 -4.818 -12.134 837 HA MET 109 HA MET 109 4.742 -6.203 -9.772 838 HB2 MET 109 HB2 MET 109 5.335 -6.908 -12.355 839 HB3 MET 109 HB3 MET 109 6.759 -7.469 -11.488 840 HG2 MET 109 HG2 MET 109 5.331 -8.758 -9.981 841 HG3 MET 109 HG3 MET 109 3.908 -8.200 -10.858 842 HE1 MET 109 HE1 MET 109 6.289 -11.697 -11.198 843 HE2 MET 109 HE2 MET 109 5.403 -10.816 -9.953 844 HE3 MET 109 HE3 MET 109 4.539 -11.881 -11.062 845 H GLY 110 H GLY 110 7.859 -5.131 -11.105 846 HA2 GLY 110 HA2 GLY 110 9.529 -6.239 -9.164 847 HA3 GLY 110 HA3 GLY 110 9.895 -4.798 -10.102 848 H LYS 111 H LYS 111 7.630 -3.286 -9.090 849 HA LYS 111 HA LYS 111 8.858 -2.112 -6.837 850 HB2 LYS 111 HB2 LYS 111 7.380 -0.888 -8.394 851 HB3 LYS 111 HB3 LYS 111 6.007 -1.816 -7.804 852 HG2 LYS 111 HG2 LYS 111 6.083 0.402 -6.804 853 HG3 LYS 111 HG3 LYS 111 6.290 -0.859 -5.586 854 HD2 LYS 111 HD2 LYS 111 8.786 0.136 -6.778 855 HD3 LYS 111 HD3 LYS 111 7.886 1.326 -5.834 856 HE2 LYS 111 HE2 LYS 111 7.735 -0.651 -4.105 857 HE3 LYS 111 HE3 LYS 111 9.162 -1.225 -4.968 858 HZ1 LYS 111 HZ1 LYS 111 9.853 0.110 -3.129 859 HZ2 LYS 111 HZ2 LYS 111 8.845 1.387 -3.594 860 HZ3 LYS 111 HZ3 LYS 111 10.179 0.973 -4.548 861 H ILE 112 H ILE 112 6.011 -4.211 -7.151 862 HA ILE 112 HA ILE 112 5.190 -4.238 -4.503 863 HB ILE 112 HB ILE 112 5.099 -6.548 -6.447 864 HG12 ILE 112 HG12 ILE 112 2.958 -4.498 -5.858 865 HG13 ILE 112 HG13 ILE 112 4.070 -4.372 -7.217 866 HG21 ILE 112 HG21 ILE 112 3.052 -7.135 -5.051 867 HG22 ILE 112 HG22 ILE 112 4.630 -7.431 -4.323 868 HG23 ILE 112 HG23 ILE 112 3.692 -6.015 -3.848 869 HD11 ILE 112 HD11 ILE 112 3.188 -6.767 -7.771 870 HD12 ILE 112 HD12 ILE 112 1.822 -6.267 -6.775 871 HD13 ILE 112 HD13 ILE 112 2.253 -5.338 -8.211 872 H ASP 113 H ASP 113 7.595 -6.283 -6.116 873 HA ASP 113 HA ASP 113 8.161 -8.000 -3.992 874 HB2 ASP 113 HB2 ASP 113 9.698 -7.070 -6.386 875 HB3 ASP 113 HB3 ASP 113 10.522 -8.021 -5.153 876 H ALA 114 H ALA 114 9.781 -4.964 -4.907 877 HA ALA 114 HA ALA 114 11.624 -4.919 -2.795 878 HB1 ALA 114 HB1 ALA 114 12.347 -3.170 -3.949 879 HB2 ALA 114 HB2 ALA 114 10.890 -3.221 -4.942 880 HB3 ALA 114 HB3 ALA 114 10.919 -2.251 -3.470 881 H TYR 115 H TYR 115 8.304 -3.770 -3.019 882 HA TYR 115 HA TYR 115 8.125 -2.193 -0.764 883 HB2 TYR 115 HB2 TYR 115 6.305 -2.548 -2.425 884 HB3 TYR 115 HB3 TYR 115 6.017 -4.138 -1.728 885 HD1 TYR 115 HD1 TYR 115 6.739 -0.936 0.026 886 HD2 TYR 115 HD2 TYR 115 3.871 -3.964 -0.819 887 HE1 TYR 115 HE1 TYR 115 5.206 0.066 1.667 888 HE2 TYR 115 HE2 TYR 115 2.330 -2.969 0.819 889 HH TYR 115 HH TYR 115 2.148 -1.478 2.507 890 H ILE 116 H ILE 116 7.566 -5.706 -0.966 891 HA ILE 116 HA ILE 116 7.106 -6.118 1.770 892 HB ILE 116 HB ILE 116 8.297 -8.084 -0.188 893 HG12 ILE 116 HG12 ILE 116 6.185 -7.133 -1.013 894 HG13 ILE 116 HG13 ILE 116 5.992 -8.825 -0.569 895 HG21 ILE 116 HG21 ILE 116 8.524 -9.266 1.715 896 HG22 ILE 116 HG22 ILE 116 7.366 -8.271 2.595 897 HG23 ILE 116 HG23 ILE 116 6.794 -9.543 1.516 898 HD11 ILE 116 HD11 ILE 116 4.586 -6.524 0.383 899 HD12 ILE 116 HD12 ILE 116 4.262 -8.233 0.670 900 HD13 ILE 116 HD13 ILE 116 5.368 -7.355 1.727 901 H SER 117 H SER 117 10.081 -6.097 -0.122 902 HA SER 117 HA SER 117 11.818 -7.118 1.823 903 HB2 SER 117 HB2 SER 117 12.115 -5.498 -0.650 904 HB3 SER 117 HB3 SER 117 13.468 -5.474 0.481 905 HG SER 117 HG SER 117 12.295 -7.919 -0.263 906 H GLN 118 H GLN 118 10.490 -3.917 1.352 907 HA GLN 118 HA GLN 118 11.876 -3.042 3.800 908 HB2 GLN 118 HB2 GLN 118 11.695 -0.711 2.848 909 HB3 GLN 118 HB3 GLN 118 12.825 -1.778 2.025 910 HG2 GLN 118 HG2 GLN 118 10.315 -2.067 0.760 911 HG3 GLN 118 HG3 GLN 118 10.621 -0.342 0.956 912 HE21 GLN 118 HE21 GLN 118 12.801 -3.070 0.366 913 HE22 GLN 118 HE22 GLN 118 13.473 -2.441 -1.096 914 H LYS 119 H LYS 119 10.172 -3.620 5.148 915 HA LYS 119 HA LYS 119 7.762 -1.950 4.861 916 HB2 LYS 119 HB2 LYS 119 7.079 -4.185 4.349 917 HB3 LYS 119 HB3 LYS 119 7.959 -4.835 5.727 918 HG2 LYS 119 HG2 LYS 119 6.419 -3.654 7.239 919 HG3 LYS 119 HG3 LYS 119 5.515 -3.079 5.836 920 HD2 LYS 119 HD2 LYS 119 4.349 -4.977 6.629 921 HD3 LYS 119 HD3 LYS 119 5.227 -5.513 5.195 922 HE2 LYS 119 HE2 LYS 119 6.883 -5.834 7.507 923 HE3 LYS 119 HE3 LYS 119 5.318 -6.592 7.798 924 HZ1 LYS 119 HZ1 LYS 119 6.927 -8.109 6.776 925 HZ2 LYS 119 HZ2 LYS 119 7.029 -7.097 5.425 926 HZ3 LYS 119 HZ3 LYS 119 5.572 -7.872 5.792 927 H VAL 120 H VAL 120 9.620 -3.904 7.193 928 HA VAL 120 HA VAL 120 8.617 -2.452 9.450 929 HB VAL 120 HB VAL 120 9.363 -4.824 9.580 930 HG11 VAL 120 HG11 VAL 120 12.190 -4.084 9.868 931 HG12 VAL 120 HG12 VAL 120 11.457 -5.510 9.132 932 HG13 VAL 120 HG13 VAL 120 11.564 -4.003 8.222 933 HG21 VAL 120 HG21 VAL 120 9.748 -2.738 11.430 934 HG22 VAL 120 HG22 VAL 120 9.533 -4.457 11.763 935 HG23 VAL 120 HG23 VAL 120 11.155 -3.794 11.562 936 H GLY 121 H GLY 121 11.216 -2.032 7.233 937 HA2 GLY 121 HA2 GLY 121 13.047 -0.614 8.818 938 HA3 GLY 121 HA3 GLY 121 12.878 -0.459 7.076 939 H GLY 122 H GLY 122 10.030 0.373 7.376 940 HA2 GLY 122 HA2 GLY 122 9.223 2.406 8.774 941 HA3 GLY 122 HA3 GLY 122 10.606 3.183 8.018 942 H LEU 123 H LEU 123 9.736 1.183 5.691 943 HA LEU 123 HA LEU 123 8.154 3.219 4.337 944 HB2 LEU 123 HB2 LEU 123 10.081 1.254 3.559 945 HB3 LEU 123 HB3 LEU 123 8.592 1.000 2.650 946 HG LEU 123 HG LEU 123 10.245 3.523 2.734 947 HD11 LEU 123 HD11 LEU 123 10.541 3.036 0.325 948 HD12 LEU 123 HD12 LEU 123 9.733 1.489 0.570 949 HD13 LEU 123 HD13 LEU 123 11.265 1.819 1.377 950 HD21 LEU 123 HD21 LEU 123 8.263 4.511 2.343 951 HD22 LEU 123 HD22 LEU 123 7.478 2.997 1.890 952 HD23 LEU 123 HD23 LEU 123 8.472 3.861 0.716 953 H GLU 124 H GLU 124 7.744 0.186 5.875 954 HA GLU 124 HA GLU 124 5.925 -1.132 6.235 955 HB2 GLU 124 HB2 GLU 124 4.927 1.482 6.010 956 HB3 GLU 124 HB3 GLU 124 3.865 0.490 5.022 957 HG2 GLU 124 HG2 GLU 124 3.533 -1.015 6.947 958 HG3 GLU 124 HG3 GLU 124 4.525 0.063 7.927 Start of MODEL 20 1 H1 MET 1 H1 MET 1 0.727 1.646 -3.843 2 HA MET 1 HA MET 1 0.592 1.233 -1.261 3 HB2 MET 1 HB2 MET 1 2.003 -0.401 -3.327 4 HB3 MET 1 HB3 MET 1 2.083 -0.910 -1.646 5 HG2 MET 1 HG2 MET 1 -0.515 -0.344 -3.035 6 HG3 MET 1 HG3 MET 1 0.258 -1.927 -3.068 7 HE1 MET 1 HE1 MET 1 -2.163 -2.218 -2.506 8 HE2 MET 1 HE2 MET 1 -2.202 -3.162 -1.016 9 HE3 MET 1 HE3 MET 1 -2.965 -1.573 -1.072 10 H SER 2 H SER 2 1.770 3.011 -0.282 11 HA SER 2 HA SER 2 4.130 2.172 1.002 12 HB2 SER 2 HB2 SER 2 5.764 3.707 0.056 13 HB3 SER 2 HB3 SER 2 5.123 2.675 -1.222 14 HG SER 2 HG SER 2 4.684 5.403 -0.740 15 H GLN 3 H GLN 3 5.262 4.334 1.963 16 HA GLN 3 HA GLN 3 3.036 5.825 3.165 17 HB2 GLN 3 HB2 GLN 3 5.138 4.473 4.345 18 HB3 GLN 3 HB3 GLN 3 5.656 6.152 4.414 19 HG2 GLN 3 HG2 GLN 3 3.192 4.920 5.600 20 HG3 GLN 3 HG3 GLN 3 4.524 5.723 6.430 21 HE21 GLN 3 HE21 GLN 3 4.869 8.049 5.508 22 HE22 GLN 3 HE22 GLN 3 3.433 9.007 5.428 23 H ASN 4 H ASN 4 2.752 7.884 2.640 24 HA ASN 4 HA ASN 4 4.564 9.237 0.896 25 HB2 ASN 4 HB2 ASN 4 2.964 11.182 1.272 26 HB3 ASN 4 HB3 ASN 4 2.262 9.720 0.585 27 HD21 ASN 4 HD21 ASN 4 0.920 8.431 1.863 28 HD22 ASN 4 HD22 ASN 4 0.184 9.037 3.304 29 H ARG 5 H ARG 5 6.463 9.123 2.304 30 HA ARG 5 HA ARG 5 6.829 11.587 3.720 31 HB2 ARG 5 HB2 ARG 5 5.774 10.271 5.493 32 HB3 ARG 5 HB3 ARG 5 6.961 8.994 5.268 33 HG2 ARG 5 HG2 ARG 5 8.731 10.654 5.891 34 HG3 ARG 5 HG3 ARG 5 7.432 11.769 6.321 35 HD2 ARG 5 HD2 ARG 5 7.295 9.044 7.467 36 HD3 ARG 5 HD3 ARG 5 8.568 10.100 8.077 37 HE ARG 5 HE ARG 5 5.772 10.298 8.613 38 HH11 ARG 5 HH11 ARG 5 8.703 12.144 8.259 39 HH12 ARG 5 HH12 ARG 5 8.161 13.443 9.268 40 HH21 ARG 5 HH21 ARG 5 5.047 12.003 9.943 41 HH22 ARG 5 HH22 ARG 5 6.081 13.362 10.226 42 H GLN 6 H GLN 6 8.411 8.436 4.153 43 HA GLN 6 HA GLN 6 10.728 9.445 2.657 44 HB2 GLN 6 HB2 GLN 6 12.230 9.063 4.345 45 HB3 GLN 6 HB3 GLN 6 10.826 9.518 5.301 46 HG2 GLN 6 HG2 GLN 6 11.780 6.722 4.731 47 HG3 GLN 6 HG3 GLN 6 11.892 7.587 6.263 48 HE21 GLN 6 HE21 GLN 6 10.444 5.095 5.180 49 HE22 GLN 6 HE22 GLN 6 8.845 5.265 5.812 50 H LEU 7 H LEU 7 12.127 7.801 1.814 51 HA LEU 7 HA LEU 7 10.729 5.243 1.421 52 HB2 LEU 7 HB2 LEU 7 12.291 7.007 -0.329 53 HB3 LEU 7 HB3 LEU 7 12.665 5.292 -0.490 54 HG LEU 7 HG LEU 7 10.899 6.353 -2.048 55 HD11 LEU 7 HD11 LEU 7 10.832 3.758 -0.617 56 HD12 LEU 7 HD12 LEU 7 11.046 4.104 -2.333 57 HD13 LEU 7 HD13 LEU 7 9.439 4.182 -1.611 58 HD21 LEU 7 HD21 LEU 7 9.727 7.312 0.074 59 HD22 LEU 7 HD22 LEU 7 9.003 5.706 0.166 60 HD23 LEU 7 HD23 LEU 7 8.759 6.703 -1.269 61 H LEU 8 H LEU 8 11.601 3.441 2.206 62 HA LEU 8 HA LEU 8 13.758 3.358 3.917 63 HB2 LEU 8 HB2 LEU 8 12.053 1.600 3.716 64 HB3 LEU 8 HB3 LEU 8 12.749 1.116 2.171 65 HG LEU 8 HG LEU 8 14.567 1.093 4.507 66 HD11 LEU 8 HD11 LEU 8 12.957 -1.346 4.258 67 HD12 LEU 8 HD12 LEU 8 12.108 0.038 4.947 68 HD13 LEU 8 HD13 LEU 8 13.597 -0.544 5.693 69 HD21 LEU 8 HD21 LEU 8 14.765 -1.284 3.181 70 HD22 LEU 8 HD22 LEU 8 15.714 0.160 2.826 71 HD23 LEU 8 HD23 LEU 8 14.257 -0.189 1.895 72 H TYR 9 H TYR 9 13.880 1.717 0.763 73 HA TYR 9 HA TYR 9 16.155 3.041 -0.211 74 HB2 TYR 9 HB2 TYR 9 16.986 1.628 1.863 75 HB3 TYR 9 HB3 TYR 9 16.953 0.309 0.699 76 HD1 TYR 9 HD1 TYR 9 18.004 3.895 0.507 77 HD2 TYR 9 HD2 TYR 9 19.077 -0.185 -0.040 78 HE1 TYR 9 HE1 TYR 9 20.205 4.594 -0.339 79 HE2 TYR 9 HE2 TYR 9 21.282 0.502 -0.886 80 HH TYR 9 HH TYR 9 22.088 3.912 -1.356 81 HA PRO 10 HA PRO 10 13.796 0.297 -3.116 82 HB2 PRO 10 HB2 PRO 10 13.352 2.242 -4.957 83 HB3 PRO 10 HB3 PRO 10 12.286 1.967 -3.574 84 HG2 PRO 10 HG2 PRO 10 14.448 4.007 -3.922 85 HG3 PRO 10 HG3 PRO 10 12.827 4.202 -3.230 86 HD2 PRO 10 HD2 PRO 10 15.043 3.934 -1.697 87 HD3 PRO 10 HD3 PRO 10 13.454 3.323 -1.193 88 H ARG 11 H ARG 11 15.132 -0.955 -4.252 89 HA ARG 11 HA ARG 11 16.556 -0.092 -6.492 90 HB2 ARG 11 HB2 ARG 11 18.899 -0.591 -5.539 91 HB3 ARG 11 HB3 ARG 11 18.181 0.977 -5.197 92 HG2 ARG 11 HG2 ARG 11 18.020 0.575 -2.988 93 HG3 ARG 11 HG3 ARG 11 17.646 -1.135 -3.217 94 HD2 ARG 11 HD2 ARG 11 20.166 -1.184 -4.042 95 HD3 ARG 11 HD3 ARG 11 20.275 0.230 -2.994 96 HE ARG 11 HE ARG 11 18.992 -1.769 -1.553 97 HH11 ARG 11 HH11 ARG 11 22.105 -1.198 -3.004 98 HH12 ARG 11 HH12 ARG 11 22.963 -2.176 -1.860 99 HH21 ARG 11 HH21 ARG 11 20.111 -3.060 -0.041 100 HH22 ARG 11 HH22 ARG 11 21.828 -3.236 -0.176 101 H GLU 12 H GLU 12 16.260 -2.430 -3.893 102 HA GLU 12 HA GLU 12 17.550 -4.618 -4.982 103 HB2 GLU 12 HB2 GLU 12 16.477 -4.432 -2.696 104 HB3 GLU 12 HB3 GLU 12 14.940 -4.775 -3.477 105 HG2 GLU 12 HG2 GLU 12 15.880 -6.775 -2.480 106 HG3 GLU 12 HG3 GLU 12 15.788 -6.927 -4.234 107 H GLU 13 H GLU 13 14.497 -3.193 -5.855 108 HA GLU 13 HA GLU 13 13.865 -5.432 -7.630 109 HB2 GLU 13 HB2 GLU 13 12.192 -2.962 -7.219 110 HB3 GLU 13 HB3 GLU 13 11.682 -4.533 -7.819 111 HG2 GLU 13 HG2 GLU 13 12.559 -3.915 -5.007 112 HG3 GLU 13 HG3 GLU 13 10.900 -4.154 -5.551 113 H MET 14 H MET 14 14.684 -2.011 -7.687 114 HA MET 14 HA MET 14 14.198 -1.369 -10.321 115 HB2 MET 14 HB2 MET 14 16.619 -0.503 -8.732 116 HB3 MET 14 HB3 MET 14 15.909 0.338 -10.104 117 HG2 MET 14 HG2 MET 14 14.641 -0.077 -7.407 118 HG3 MET 14 HG3 MET 14 15.301 1.428 -8.042 119 HE1 MET 14 HE1 MET 14 12.738 -1.014 -7.692 120 HE2 MET 14 HE2 MET 14 11.602 0.296 -7.370 121 HE3 MET 14 HE3 MET 14 11.431 -0.679 -8.829 122 H VAL 15 H VAL 15 16.877 -3.197 -8.961 123 HA VAL 15 HA VAL 15 18.349 -3.312 -11.424 124 HB VAL 15 HB VAL 15 19.787 -4.928 -10.278 125 HG11 VAL 15 HG11 VAL 15 20.235 -3.416 -8.183 126 HG12 VAL 15 HG12 VAL 15 20.525 -2.802 -9.813 127 HG13 VAL 15 HG13 VAL 15 19.049 -2.362 -8.952 128 HG21 VAL 15 HG21 VAL 15 17.471 -5.094 -8.480 129 HG22 VAL 15 HG22 VAL 15 18.708 -6.294 -8.856 130 HG23 VAL 15 HG23 VAL 15 19.036 -5.031 -7.670 131 H SER 16 H SER 16 15.928 -5.255 -9.836 132 HA SER 16 HA SER 16 16.262 -7.699 -11.101 133 HB2 SER 16 HB2 SER 16 14.372 -6.575 -9.403 134 HB3 SER 16 HB3 SER 16 13.450 -6.968 -10.854 135 HG SER 16 HG SER 16 15.146 -8.766 -9.456 136 H LEU 17 H LEU 17 14.453 -4.852 -12.198 137 HA LEU 17 HA LEU 17 13.370 -5.934 -14.529 138 HB2 LEU 17 HB2 LEU 17 14.285 -3.099 -14.066 139 HB3 LEU 17 HB3 LEU 17 13.159 -3.635 -15.311 140 HG LEU 17 HG LEU 17 11.642 -2.877 -13.819 141 HD11 LEU 17 HD11 LEU 17 11.448 -5.398 -13.982 142 HD12 LEU 17 HD12 LEU 17 10.642 -4.633 -12.613 143 HD13 LEU 17 HD13 LEU 17 12.183 -5.458 -12.380 144 HD21 LEU 17 HD21 LEU 17 12.393 -3.437 -11.216 145 HD22 LEU 17 HD22 LEU 17 12.535 -1.882 -12.038 146 HD23 LEU 17 HD23 LEU 17 13.905 -2.992 -12.009 147 H VAL 18 H VAL 18 16.135 -3.683 -14.454 148 HA VAL 18 HA VAL 18 17.033 -4.090 -17.024 149 HB VAL 18 HB VAL 18 17.902 -2.349 -15.483 150 HG11 VAL 18 HG11 VAL 18 19.713 -2.916 -13.935 151 HG12 VAL 18 HG12 VAL 18 18.211 -3.735 -13.501 152 HG13 VAL 18 HG13 VAL 18 19.500 -4.625 -14.313 153 HG21 VAL 18 HG21 VAL 18 19.835 -2.119 -16.658 154 HG22 VAL 18 HG22 VAL 18 20.330 -3.789 -16.383 155 HG23 VAL 18 HG23 VAL 18 19.111 -3.420 -17.603 156 H ARG 19 H ARG 19 17.542 -6.078 -14.188 157 HA ARG 19 HA ARG 19 19.604 -7.697 -15.302 158 HB2 ARG 19 HB2 ARG 19 17.817 -7.875 -12.911 159 HB3 ARG 19 HB3 ARG 19 18.713 -9.302 -13.413 160 HG2 ARG 19 HG2 ARG 19 20.489 -7.077 -13.380 161 HG3 ARG 19 HG3 ARG 19 19.606 -7.129 -11.853 162 HD2 ARG 19 HD2 ARG 19 20.971 -9.525 -13.062 163 HD3 ARG 19 HD3 ARG 19 21.758 -8.439 -11.918 164 HE ARG 19 HE ARG 19 19.403 -9.211 -10.720 165 HH11 ARG 19 HH11 ARG 19 22.256 -10.788 -11.941 166 HH12 ARG 19 HH12 ARG 19 22.170 -12.102 -10.815 167 HH21 ARG 19 HH21 ARG 19 19.279 -10.935 -9.232 168 HH22 ARG 19 HH22 ARG 19 20.476 -12.185 -9.275 169 H SER 20 H SER 20 16.091 -7.932 -15.141 170 HA SER 20 HA SER 20 15.809 -10.562 -16.061 171 HB2 SER 20 HB2 SER 20 13.539 -10.095 -16.298 172 HB3 SER 20 HB3 SER 20 14.039 -8.887 -15.115 173 HG SER 20 HG SER 20 13.372 -8.571 -17.818 174 H LEU 21 H LEU 21 16.432 -7.574 -17.750 175 HA LEU 21 HA LEU 21 16.195 -8.951 -20.334 176 HB2 LEU 21 HB2 LEU 21 16.070 -6.812 -21.360 177 HB3 LEU 21 HB3 LEU 21 14.965 -6.813 -19.986 178 HG LEU 21 HG LEU 21 17.431 -5.785 -19.063 179 HD11 LEU 21 HD11 LEU 21 18.238 -4.368 -20.597 180 HD12 LEU 21 HD12 LEU 21 16.634 -3.935 -21.188 181 HD13 LEU 21 HD13 LEU 21 17.415 -5.410 -21.759 182 HD21 LEU 21 HD21 LEU 21 15.923 -3.640 -19.081 183 HD22 LEU 21 HD22 LEU 21 15.553 -4.992 -18.010 184 HD23 LEU 21 HD23 LEU 21 14.657 -4.790 -19.516 185 H ASP 22 H ASP 22 17.860 -8.438 -21.972 186 HA ASP 22 HA ASP 22 20.353 -7.335 -21.380 187 HB2 ASP 22 HB2 ASP 22 20.112 -9.638 -19.964 188 HB3 ASP 22 HB3 ASP 22 20.814 -10.253 -21.458 189 H ARG 23 H ARG 23 18.736 -7.164 -23.543 190 HA ARG 23 HA ARG 23 20.385 -8.399 -25.626 191 HB2 ARG 23 HB2 ARG 23 18.220 -8.712 -26.962 192 HB3 ARG 23 HB3 ARG 23 18.551 -9.864 -25.675 193 HG2 ARG 23 HG2 ARG 23 17.063 -7.683 -24.600 194 HG3 ARG 23 HG3 ARG 23 16.256 -8.277 -26.053 195 HD2 ARG 23 HD2 ARG 23 15.552 -9.392 -23.923 196 HD3 ARG 23 HD3 ARG 23 16.134 -10.486 -25.178 197 HE ARG 23 HE ARG 23 18.354 -10.053 -23.737 198 HH11 ARG 23 HH11 ARG 23 15.109 -10.913 -22.814 199 HH12 ARG 23 HH12 ARG 23 15.604 -11.800 -21.411 200 HH21 ARG 23 HH21 ARG 23 19.018 -11.219 -21.892 201 HH22 ARG 23 HH22 ARG 23 17.828 -11.973 -20.887 202 HA PRO 24 HA PRO 24 19.752 -3.847 -26.254 203 HB2 PRO 24 HB2 PRO 24 22.357 -3.332 -26.821 204 HB3 PRO 24 HB3 PRO 24 21.720 -3.360 -25.172 205 HG2 PRO 24 HG2 PRO 24 23.216 -5.482 -26.662 206 HG3 PRO 24 HG3 PRO 24 23.409 -4.948 -24.982 207 HD2 PRO 24 HD2 PRO 24 22.046 -7.190 -25.650 208 HD3 PRO 24 HD3 PRO 24 21.611 -6.191 -24.249 209 H GLN 25 H GLN 25 18.660 -3.932 -28.174 210 HA GLN 25 HA GLN 25 19.627 -5.166 -30.526 211 HB2 GLN 25 HB2 GLN 25 17.422 -3.225 -29.929 212 HB3 GLN 25 HB3 GLN 25 17.835 -3.599 -31.597 213 HG2 GLN 25 HG2 GLN 25 16.513 -5.363 -31.468 214 HG3 GLN 25 HG3 GLN 25 17.638 -6.068 -30.308 215 HE21 GLN 25 HE21 GLN 25 17.329 -5.236 -28.020 216 HE22 GLN 25 HE22 GLN 25 15.698 -5.121 -27.463 217 H GLU 26 H GLU 26 19.462 -1.743 -29.557 218 HA GLU 26 HA GLU 26 20.908 -0.867 -31.877 219 HB2 GLU 26 HB2 GLU 26 19.503 0.359 -29.651 220 HB3 GLU 26 HB3 GLU 26 21.023 1.177 -29.983 221 HG2 GLU 26 HG2 GLU 26 19.456 0.580 -32.374 222 HG3 GLU 26 HG3 GLU 26 18.655 1.666 -31.238 223 H ASN 27 H ASN 27 21.658 -1.129 -28.410 224 HA ASN 27 HA ASN 27 23.632 -1.134 -27.273 225 HB2 ASN 27 HB2 ASN 27 23.788 -3.261 -28.616 226 HB3 ASN 27 HB3 ASN 27 24.756 -2.374 -29.790 227 HD21 ASN 27 HD21 ASN 27 24.605 -3.389 -26.426 228 HD22 ASN 27 HD22 ASN 27 26.312 -3.401 -26.163 229 H GLY 28 H GLY 28 23.320 1.320 -27.901 230 HA2 GLY 28 HA2 GLY 28 25.959 2.301 -28.463 231 HA3 GLY 28 HA3 GLY 28 24.819 2.665 -29.750 232 H LEU 29 H LEU 29 22.533 3.033 -28.062 233 HA LEU 29 HA LEU 29 23.032 4.945 -26.038 234 HB2 LEU 29 HB2 LEU 29 23.729 6.295 -27.960 235 HB3 LEU 29 HB3 LEU 29 22.154 6.039 -28.707 236 HG LEU 29 HG LEU 29 21.931 7.199 -26.054 237 HD11 LEU 29 HD11 LEU 29 22.728 9.461 -27.351 238 HD12 LEU 29 HD12 LEU 29 23.936 8.291 -27.881 239 HD13 LEU 29 HD13 LEU 29 23.687 8.582 -26.160 240 HD21 LEU 29 HD21 LEU 29 20.033 7.318 -27.370 241 HD22 LEU 29 HD22 LEU 29 20.940 7.739 -28.823 242 HD23 LEU 29 HD23 LEU 29 20.713 8.936 -27.547 243 H PHE 30 H PHE 30 20.832 3.712 -28.492 244 HA PHE 30 HA PHE 30 18.427 4.576 -27.299 245 HB2 PHE 30 HB2 PHE 30 19.214 2.710 -29.434 246 HB3 PHE 30 HB3 PHE 30 17.707 2.294 -28.624 247 HD1 PHE 30 HD1 PHE 30 19.427 5.231 -30.144 248 HD2 PHE 30 HD2 PHE 30 15.751 3.222 -29.393 249 HE1 PHE 30 HE1 PHE 30 18.241 6.901 -31.506 250 HE2 PHE 30 HE2 PHE 30 14.558 4.889 -30.755 251 HZ PHE 30 HZ PHE 30 15.803 6.732 -31.813 252 H SER 31 H SER 31 20.663 2.220 -26.354 253 HA SER 31 HA SER 31 18.904 1.343 -24.217 254 HB2 SER 31 HB2 SER 31 20.167 -0.629 -26.137 255 HB3 SER 31 HB3 SER 31 19.342 -1.057 -24.638 256 HG SER 31 HG SER 31 18.068 -1.145 -26.648 257 H GLN 32 H GLN 32 21.354 2.923 -24.476 258 HA GLN 32 HA GLN 32 22.835 1.696 -22.353 259 HB2 GLN 32 HB2 GLN 32 23.691 1.240 -25.050 260 HB3 GLN 32 HB3 GLN 32 24.877 2.250 -24.235 261 HG2 GLN 32 HG2 GLN 32 25.675 0.519 -23.116 262 HG3 GLN 32 HG3 GLN 32 24.070 0.098 -22.520 263 HE21 GLN 32 HE21 GLN 32 22.698 -0.687 -24.629 264 HE22 GLN 32 HE22 GLN 32 23.442 -2.031 -25.418 265 H ASP 33 H ASP 33 24.994 3.093 -22.070 266 HA ASP 33 HA ASP 33 24.105 5.894 -22.182 267 HB2 ASP 33 HB2 ASP 33 25.934 4.421 -20.294 268 HB3 ASP 33 HB3 ASP 33 25.897 6.180 -20.369 269 H VAL 34 H VAL 34 25.059 7.159 -23.620 270 HA VAL 34 HA VAL 34 27.138 6.424 -25.301 271 HB VAL 34 HB VAL 34 25.676 8.263 -25.868 272 HG11 VAL 34 HG11 VAL 34 25.151 9.907 -24.465 273 HG12 VAL 34 HG12 VAL 34 26.127 9.092 -23.241 274 HG13 VAL 34 HG13 VAL 34 26.846 10.345 -24.254 275 HG21 VAL 34 HG21 VAL 34 28.360 8.194 -26.330 276 HG22 VAL 34 HG22 VAL 34 27.236 9.324 -27.084 277 HG23 VAL 34 HG23 VAL 34 28.156 9.812 -25.661 278 H LEU 35 H LEU 35 27.234 7.921 -22.141 279 HA LEU 35 HA LEU 35 29.878 8.853 -22.163 280 HB2 LEU 35 HB2 LEU 35 27.844 8.966 -20.401 281 HB3 LEU 35 HB3 LEU 35 28.848 7.739 -19.631 282 HG LEU 35 HG LEU 35 29.258 9.999 -18.750 283 HD11 LEU 35 HD11 LEU 35 31.659 9.047 -20.288 284 HD12 LEU 35 HD12 LEU 35 31.025 8.198 -18.879 285 HD13 LEU 35 HD13 LEU 35 31.613 9.853 -18.720 286 HD21 LEU 35 HD21 LEU 35 29.335 11.742 -20.118 287 HD22 LEU 35 HD22 LEU 35 29.258 10.675 -21.520 288 HD23 LEU 35 HD23 LEU 35 30.821 11.107 -20.826 289 H LEU 36 H LEU 36 28.616 5.670 -22.044 290 HA LEU 36 HA LEU 36 31.132 4.565 -21.035 291 HB2 LEU 36 HB2 LEU 36 28.406 3.404 -21.515 292 HB3 LEU 36 HB3 LEU 36 29.813 2.378 -21.237 293 HG LEU 36 HG LEU 36 30.113 3.604 -19.044 294 HD11 LEU 36 HD11 LEU 36 27.874 5.067 -20.117 295 HD12 LEU 36 HD12 LEU 36 28.876 5.415 -18.709 296 HD13 LEU 36 HD13 LEU 36 27.476 4.354 -18.554 297 HD21 LEU 36 HD21 LEU 36 27.463 2.238 -19.066 298 HD22 LEU 36 HD22 LEU 36 28.810 2.070 -17.940 299 HD23 LEU 36 HD23 LEU 36 28.902 1.336 -19.541 300 H GLN 37 H GLN 37 30.858 5.822 -23.688 301 HA GLN 37 HA GLN 37 31.301 3.509 -25.443 302 HB2 GLN 37 HB2 GLN 37 30.845 6.408 -26.168 303 HB3 GLN 37 HB3 GLN 37 31.010 5.077 -27.305 304 HG2 GLN 37 HG2 GLN 37 28.842 5.220 -25.229 305 HG3 GLN 37 HG3 GLN 37 28.668 5.845 -26.868 306 HE21 GLN 37 HE21 GLN 37 27.132 3.773 -25.625 307 HE22 GLN 37 HE22 GLN 37 27.371 2.336 -26.554 308 H TYR 38 H TYR 38 32.585 6.828 -25.444 309 HA TYR 38 HA TYR 38 35.277 5.949 -24.982 310 HB2 TYR 38 HB2 TYR 38 34.312 6.523 -27.744 311 HB3 TYR 38 HB3 TYR 38 35.919 7.085 -27.299 312 HD1 TYR 38 HD1 TYR 38 37.048 5.014 -25.691 313 HD2 TYR 38 HD2 TYR 38 34.482 4.640 -29.064 314 HE1 TYR 38 HE1 TYR 38 37.956 2.770 -26.126 315 HE2 TYR 38 HE2 TYR 38 35.382 2.395 -29.508 316 HH TYR 38 HH TYR 38 36.539 0.537 -27.960 317 HA PRO 39 HA PRO 39 35.766 10.104 -23.658 318 HB2 PRO 39 HB2 PRO 39 38.397 10.542 -24.165 319 HB3 PRO 39 HB3 PRO 39 37.832 9.492 -22.860 320 HG2 PRO 39 HG2 PRO 39 38.815 8.758 -25.591 321 HG3 PRO 39 HG3 PRO 39 39.175 7.998 -24.030 322 HD2 PRO 39 HD2 PRO 39 37.366 6.974 -25.766 323 HD3 PRO 39 HD3 PRO 39 37.196 6.817 -24.006 324 H GLU 40 H GLU 40 34.354 10.671 -25.618 325 HA GLU 40 HA GLU 40 35.536 12.885 -26.951 326 HB2 GLU 40 HB2 GLU 40 35.182 12.053 -29.277 327 HB3 GLU 40 HB3 GLU 40 36.488 11.245 -28.422 328 HG2 GLU 40 HG2 GLU 40 34.459 9.587 -27.834 329 HG3 GLU 40 HG3 GLU 40 33.922 10.188 -29.402 330 H LEU 41 H LEU 41 32.895 10.554 -26.823 331 HA LEU 41 HA LEU 41 31.007 12.594 -27.737 332 HB2 LEU 41 HB2 LEU 41 29.374 10.671 -27.644 333 HB3 LEU 41 HB3 LEU 41 30.666 10.548 -28.836 334 HG LEU 41 HG LEU 41 29.990 8.461 -27.454 335 HD11 LEU 41 HD11 LEU 41 31.868 7.620 -28.290 336 HD12 LEU 41 HD12 LEU 41 32.867 8.603 -27.220 337 HD13 LEU 41 HD13 LEU 41 32.306 9.264 -28.756 338 HD21 LEU 41 HD21 LEU 41 31.837 9.828 -25.500 339 HD22 LEU 41 HD22 LEU 41 31.178 8.198 -25.363 340 HD23 LEU 41 HD23 LEU 41 30.103 9.593 -25.269 341 H ALA 42 H ALA 42 32.401 12.060 -24.951 342 HA ALA 42 HA ALA 42 30.445 11.529 -23.047 343 HB1 ALA 42 HB1 ALA 42 31.960 13.160 -21.632 344 HB2 ALA 42 HB2 ALA 42 32.531 11.564 -22.119 345 HB3 ALA 42 HB3 ALA 42 33.032 12.993 -23.023 346 H GLU 43 H GLU 43 30.967 14.355 -24.976 347 HA GLU 43 HA GLU 43 29.601 16.231 -23.353 348 HB2 GLU 43 HB2 GLU 43 30.263 16.136 -26.287 349 HB3 GLU 43 HB3 GLU 43 29.338 17.460 -25.594 350 HG2 GLU 43 HG2 GLU 43 31.135 18.385 -24.631 351 HG3 GLU 43 HG3 GLU 43 31.822 16.828 -24.174 352 H SER 44 H SER 44 28.554 14.289 -26.142 353 HA SER 44 HA SER 44 25.940 15.189 -26.330 354 HB2 SER 44 HB2 SER 44 25.474 13.227 -27.595 355 HB3 SER 44 HB3 SER 44 27.168 13.607 -27.903 356 HG SER 44 HG SER 44 27.784 11.952 -26.602 357 H TYR 45 H TYR 45 27.388 13.014 -24.033 358 HA TYR 45 HA TYR 45 25.107 11.728 -23.055 359 HB2 TYR 45 HB2 TYR 45 27.414 11.067 -22.479 360 HB3 TYR 45 HB3 TYR 45 27.589 12.533 -21.521 361 HD1 TYR 45 HD1 TYR 45 24.982 9.859 -21.793 362 HD2 TYR 45 HD2 TYR 45 27.563 12.103 -19.261 363 HE1 TYR 45 HE1 TYR 45 24.076 8.680 -19.833 364 HE2 TYR 45 HE2 TYR 45 26.665 10.929 -17.295 365 HH TYR 45 HH TYR 45 25.369 9.249 -16.586 366 H THR 46 H THR 46 26.364 14.931 -22.485 367 HA THR 46 HA THR 46 24.935 15.559 -20.145 368 HB THR 46 HB THR 46 25.404 17.863 -20.606 369 HG1 THR 46 HG1 THR 46 25.261 18.531 -22.601 370 HG21 THR 46 HG21 THR 46 27.359 15.889 -20.565 371 HG22 THR 46 HG22 THR 46 27.598 17.609 -20.265 372 HG23 THR 46 HG23 THR 46 27.843 16.954 -21.884 373 H LYS 47 H LYS 47 24.145 16.067 -23.572 374 HA LYS 47 HA LYS 47 21.714 17.396 -23.209 375 HB2 LYS 47 HB2 LYS 47 22.876 17.258 -25.370 376 HB3 LYS 47 HB3 LYS 47 22.525 15.537 -25.452 377 HG2 LYS 47 HG2 LYS 47 21.018 16.873 -26.849 378 HG3 LYS 47 HG3 LYS 47 20.156 15.987 -25.589 379 HD2 LYS 47 HD2 LYS 47 19.282 18.240 -25.759 380 HD3 LYS 47 HD3 LYS 47 20.114 18.035 -24.216 381 HE2 LYS 47 HE2 LYS 47 21.559 19.660 -24.695 382 HE3 LYS 47 HE3 LYS 47 21.925 18.956 -26.269 383 HZ1 LYS 47 HZ1 LYS 47 19.665 20.771 -25.627 384 HZ2 LYS 47 HZ2 LYS 47 19.891 20.016 -27.125 385 HZ3 LYS 47 HZ3 LYS 47 21.023 21.141 -26.565 386 H VAL 48 H VAL 48 22.388 13.928 -23.571 387 HA VAL 48 HA VAL 48 19.607 13.349 -22.823 388 HB VAL 48 HB VAL 48 20.541 12.309 -24.908 389 HG11 VAL 48 HG11 VAL 48 22.273 10.818 -24.902 390 HG12 VAL 48 HG12 VAL 48 22.793 11.887 -23.597 391 HG13 VAL 48 HG13 VAL 48 22.012 10.350 -23.222 392 HG21 VAL 48 HG21 VAL 48 18.795 11.308 -23.089 393 HG22 VAL 48 HG22 VAL 48 19.141 10.566 -24.651 394 HG23 VAL 48 HG23 VAL 48 19.960 9.989 -23.200 395 H CYS 49 H CYS 49 21.448 14.245 -20.842 396 HA CYS 49 HA CYS 49 22.783 12.377 -19.359 397 HB2 CYS 49 HB2 CYS 49 22.992 14.470 -18.445 398 HB3 CYS 49 HB3 CYS 49 21.292 14.860 -18.677 399 HG CYS 49 HG CYS 49 22.469 14.523 -15.896 400 HA PRO 50 HA PRO 50 18.724 11.148 -17.041 401 HB2 PRO 50 HB2 PRO 50 16.379 12.017 -18.096 402 HB3 PRO 50 HB3 PRO 50 17.294 12.940 -16.897 403 HG2 PRO 50 HG2 PRO 50 17.198 13.270 -19.871 404 HG3 PRO 50 HG3 PRO 50 17.165 14.512 -18.606 405 HD2 PRO 50 HD2 PRO 50 19.409 13.906 -19.994 406 HD3 PRO 50 HD3 PRO 50 19.448 14.443 -18.302 407 H ASN 51 H ASN 51 19.447 9.195 -18.065 408 HA ASN 51 HA ASN 51 18.843 8.258 -20.571 409 HB2 ASN 51 HB2 ASN 51 18.899 6.674 -17.993 410 HB3 ASN 51 HB3 ASN 51 18.993 5.981 -19.609 411 HD21 ASN 51 HD21 ASN 51 20.686 7.643 -20.895 412 HD22 ASN 51 HD22 ASN 51 22.246 7.605 -20.153 413 H ARG 52 H ARG 52 17.020 7.876 -21.630 414 HA ARG 52 HA ARG 52 14.608 7.188 -20.088 415 HB2 ARG 52 HB2 ARG 52 14.781 9.026 -22.483 416 HB3 ARG 52 HB3 ARG 52 13.283 8.484 -21.738 417 HG2 ARG 52 HG2 ARG 52 13.398 10.044 -20.163 418 HG3 ARG 52 HG3 ARG 52 15.082 9.659 -19.800 419 HD2 ARG 52 HD2 ARG 52 15.855 11.067 -21.572 420 HD3 ARG 52 HD3 ARG 52 14.212 11.308 -22.166 421 HE ARG 52 HE ARG 52 14.490 12.182 -19.472 422 HH11 ARG 52 HH11 ARG 52 15.157 13.070 -22.772 423 HH12 ARG 52 HH12 ARG 52 15.137 14.773 -22.455 424 HH21 ARG 52 HH21 ARG 52 14.461 14.422 -19.042 425 HH22 ARG 52 HH22 ARG 52 14.742 15.541 -20.333 426 H CYS 53 H CYS 53 16.275 5.262 -21.146 427 HA CYS 53 HA CYS 53 14.964 4.385 -23.620 428 HB2 CYS 53 HB2 CYS 53 17.460 3.335 -22.271 429 HB3 CYS 53 HB3 CYS 53 16.812 2.768 -23.806 430 HG CYS 53 HG CYS 53 17.489 6.066 -23.596 431 H ASP 54 H ASP 54 16.341 2.597 -20.871 432 HA ASP 54 HA ASP 54 13.943 1.588 -19.853 433 HB2 ASP 54 HB2 ASP 54 14.928 0.231 -22.252 434 HB3 ASP 54 HB3 ASP 54 14.699 -0.857 -20.886 435 H LEU 55 H LEU 55 16.852 -0.261 -20.714 436 HA LEU 55 HA LEU 55 17.243 -1.127 -18.030 437 HB2 LEU 55 HB2 LEU 55 19.434 -1.986 -18.958 438 HB3 LEU 55 HB3 LEU 55 17.960 -2.607 -19.697 439 HG LEU 55 HG LEU 55 19.109 -0.273 -21.055 440 HD11 LEU 55 HD11 LEU 55 20.677 -2.786 -20.663 441 HD12 LEU 55 HD12 LEU 55 21.225 -1.110 -20.665 442 HD13 LEU 55 HD13 LEU 55 20.789 -1.896 -22.182 443 HD21 LEU 55 HD21 LEU 55 17.228 -2.043 -21.680 444 HD22 LEU 55 HD22 LEU 55 18.619 -2.894 -22.353 445 HD23 LEU 55 HD23 LEU 55 18.232 -1.264 -22.905 446 H ALA 56 H ALA 56 18.727 1.340 -20.066 447 HA ALA 56 HA ALA 56 20.796 2.023 -18.236 448 HB1 ALA 56 HB1 ALA 56 19.624 3.736 -20.422 449 HB2 ALA 56 HB2 ALA 56 21.205 3.916 -19.660 450 HB3 ALA 56 HB3 ALA 56 20.867 2.509 -20.668 451 H THR 57 H THR 57 17.463 2.947 -18.590 452 HA THR 57 HA THR 57 17.643 5.300 -16.956 453 HB THR 57 HB THR 57 15.156 3.735 -17.660 454 HG1 THR 57 HG1 THR 57 16.802 5.330 -19.188 455 HG21 THR 57 HG21 THR 57 15.691 6.461 -16.544 456 HG22 THR 57 HG22 THR 57 14.519 5.252 -16.024 457 HG23 THR 57 HG23 THR 57 14.242 6.169 -17.504 458 H ALA 58 H ALA 58 16.595 1.953 -16.474 459 HA ALA 58 HA ALA 58 15.759 2.327 -13.778 460 HB1 ALA 58 HB1 ALA 58 14.758 0.469 -14.619 461 HB2 ALA 58 HB2 ALA 58 16.163 0.011 -15.583 462 HB3 ALA 58 HB3 ALA 58 16.145 -0.300 -13.847 463 H ALA 59 H ALA 59 18.704 1.008 -15.264 464 HA ALA 59 HA ALA 59 20.007 0.367 -12.843 465 HB1 ALA 59 HB1 ALA 59 20.519 -0.221 -15.389 466 HB2 ALA 59 HB2 ALA 59 21.647 1.120 -15.192 467 HB3 ALA 59 HB3 ALA 59 21.757 -0.286 -14.134 468 H ASP 60 H ASP 60 19.706 3.324 -14.665 469 HA ASP 60 HA ASP 60 21.850 4.712 -13.396 470 HB2 ASP 60 HB2 ASP 60 21.142 5.528 -15.518 471 HB3 ASP 60 HB3 ASP 60 19.464 5.637 -14.994 472 H ARG 61 H ARG 61 18.318 4.762 -12.963 473 HA ARG 61 HA ARG 61 18.158 6.637 -10.935 474 HB2 ARG 61 HB2 ARG 61 16.457 4.560 -12.029 475 HB3 ARG 61 HB3 ARG 61 16.232 4.719 -10.292 476 HG2 ARG 61 HG2 ARG 61 14.653 6.145 -11.294 477 HG3 ARG 61 HG3 ARG 61 15.933 7.192 -10.677 478 HD2 ARG 61 HD2 ARG 61 16.176 6.223 -13.470 479 HD3 ARG 61 HD3 ARG 61 14.942 7.437 -13.136 480 HE ARG 61 HE ARG 61 17.552 8.074 -12.092 481 HH11 ARG 61 HH11 ARG 61 15.401 8.300 -14.820 482 HH12 ARG 61 HH12 ARG 61 16.193 9.684 -15.496 483 HH21 ARG 61 HH21 ARG 61 18.603 9.897 -12.972 484 HH22 ARG 61 HH22 ARG 61 18.015 10.591 -14.444 485 H ALA 62 H ALA 62 18.974 3.221 -10.761 486 HA ALA 62 HA ALA 62 19.041 3.221 -7.868 487 HB1 ALA 62 HB1 ALA 62 19.762 0.896 -8.093 488 HB2 ALA 62 HB2 ALA 62 18.320 1.219 -9.057 489 HB3 ALA 62 HB3 ALA 62 19.896 1.105 -9.840 490 H ALA 63 H ALA 63 21.369 3.128 -10.537 491 HA ALA 63 HA ALA 63 23.704 2.801 -9.043 492 HB1 ALA 63 HB1 ALA 63 23.769 2.544 -11.415 493 HB2 ALA 63 HB2 ALA 63 23.248 4.211 -11.665 494 HB3 ALA 63 HB3 ALA 63 24.842 3.878 -10.988 495 H LYS 64 H LYS 64 21.844 5.693 -9.797 496 HA LYS 64 HA LYS 64 23.692 7.623 -8.962 497 HB2 LYS 64 HB2 LYS 64 20.683 7.597 -9.066 498 HB3 LYS 64 HB3 LYS 64 21.576 9.007 -8.510 499 HG2 LYS 64 HG2 LYS 64 21.908 7.715 -11.209 500 HG3 LYS 64 HG3 LYS 64 20.925 9.143 -10.880 501 HD2 LYS 64 HD2 LYS 64 23.902 8.901 -10.446 502 HD3 LYS 64 HD3 LYS 64 23.115 9.761 -11.771 503 HE2 LYS 64 HE2 LYS 64 21.932 11.101 -9.929 504 HE3 LYS 64 HE3 LYS 64 23.155 10.438 -8.847 505 HZ1 LYS 64 HZ1 LYS 64 23.436 12.695 -10.283 506 HZ2 LYS 64 HZ2 LYS 64 24.215 11.570 -11.278 507 HZ3 LYS 64 HZ3 LYS 64 24.721 11.777 -9.678 508 H GLY 65 H GLY 65 21.861 5.357 -7.159 509 HA2 GLY 65 HA2 GLY 65 22.734 5.051 -4.849 510 HA3 GLY 65 HA3 GLY 65 22.552 6.790 -4.667 511 H ALA 66 H ALA 66 20.129 5.114 -6.450 512 HA ALA 66 HA ALA 66 17.888 4.887 -6.088 513 HB1 ALA 66 HB1 ALA 66 17.317 3.745 -3.907 514 HB2 ALA 66 HB2 ALA 66 18.505 2.926 -4.923 515 HB3 ALA 66 HB3 ALA 66 19.034 3.842 -3.511 516 H TYR 67 H TYR 67 17.958 7.351 -6.115 517 HA TYR 67 HA TYR 67 17.882 8.979 -3.908 518 HB2 TYR 67 HB2 TYR 67 17.398 9.314 -6.589 519 HB3 TYR 67 HB3 TYR 67 15.819 9.646 -5.888 520 HD1 TYR 67 HD1 TYR 67 19.416 10.554 -5.470 521 HD2 TYR 67 HD2 TYR 67 15.358 11.781 -5.110 522 HE1 TYR 67 HE1 TYR 67 20.161 12.824 -4.888 523 HE2 TYR 67 HE2 TYR 67 16.091 14.056 -4.529 524 HH TYR 67 HH TYR 67 17.989 15.220 -3.692 525 H GLY 68 H GLY 68 16.830 8.462 -2.081 526 HA2 GLY 68 HA2 GLY 68 14.307 7.131 -2.034 527 HA3 GLY 68 HA3 GLY 68 15.129 7.848 -0.655 528 H TYR 69 H TYR 69 13.144 8.650 0.136 529 HA TYR 69 HA TYR 69 11.507 10.200 0.437 530 HB2 TYR 69 HB2 TYR 69 13.793 11.587 -0.602 531 HB3 TYR 69 HB3 TYR 69 12.329 12.342 -1.221 532 HD1 TYR 69 HD1 TYR 69 13.565 10.960 2.031 533 HD2 TYR 69 HD2 TYR 69 11.502 14.092 0.021 534 HE1 TYR 69 HE1 TYR 69 13.273 12.134 4.173 535 HE2 TYR 69 HE2 TYR 69 11.205 15.275 2.157 536 HH TYR 69 HH TYR 69 12.000 15.380 4.329 537 H ASP 70 H ASP 70 9.860 9.087 -0.614 538 HA ASP 70 HA ASP 70 9.001 10.310 -3.121 539 HB2 ASP 70 HB2 ASP 70 10.236 7.851 -3.178 540 HB3 ASP 70 HB3 ASP 70 8.530 7.417 -3.096 541 H VAL 71 H VAL 71 6.996 10.999 -2.830 542 HA VAL 71 HA VAL 71 5.404 10.400 -0.616 543 HB VAL 71 HB VAL 71 4.715 11.588 -3.296 544 HG11 VAL 71 HG11 VAL 71 2.913 11.118 -0.929 545 HG12 VAL 71 HG12 VAL 71 2.557 12.275 -2.213 546 HG13 VAL 71 HG13 VAL 71 2.691 10.556 -2.586 547 HG21 VAL 71 HG21 VAL 71 6.141 12.891 -1.752 548 HG22 VAL 71 HG22 VAL 71 4.585 13.661 -2.062 549 HG23 VAL 71 HG23 VAL 71 4.861 12.811 -0.541 550 H GLN 72 H GLN 72 5.355 9.079 -3.900 551 HA GLN 72 HA GLN 72 4.084 6.672 -2.938 552 HB2 GLN 72 HB2 GLN 72 2.655 8.653 -4.666 553 HB3 GLN 72 HB3 GLN 72 2.352 6.935 -4.894 554 HG2 GLN 72 HG2 GLN 72 1.921 8.538 -2.386 555 HG3 GLN 72 HG3 GLN 72 0.688 7.835 -3.432 556 HE21 GLN 72 HE21 GLN 72 2.054 7.477 -0.556 557 HE22 GLN 72 HE22 GLN 72 1.957 5.764 -0.356 558 H LEU 73 H LEU 73 6.608 7.027 -3.962 559 HA LEU 73 HA LEU 73 8.071 6.300 -5.549 560 HB2 LEU 73 HB2 LEU 73 5.795 4.424 -6.169 561 HB3 LEU 73 HB3 LEU 73 7.467 4.213 -6.684 562 HG LEU 73 HG LEU 73 7.260 2.762 -4.883 563 HD11 LEU 73 HD11 LEU 73 9.093 4.614 -4.728 564 HD12 LEU 73 HD12 LEU 73 8.830 3.509 -3.380 565 HD13 LEU 73 HD13 LEU 73 8.162 5.140 -3.326 566 HD21 LEU 73 HD21 LEU 73 6.031 4.798 -3.076 567 HD22 LEU 73 HD22 LEU 73 5.951 3.037 -3.006 568 HD23 LEU 73 HD23 LEU 73 5.020 3.915 -4.220 569 H THR 74 H THR 74 6.714 8.564 -6.333 570 HA THR 74 HA THR 74 5.567 8.294 -8.935 571 HB THR 74 HB THR 74 6.728 10.824 -7.771 572 HG1 THR 74 HG1 THR 74 5.317 10.278 -6.217 573 HG21 THR 74 HG21 THR 74 4.717 10.174 -9.900 574 HG22 THR 74 HG22 THR 74 6.118 11.241 -9.984 575 HG23 THR 74 HG23 THR 74 4.688 11.732 -9.075 576 H THR 75 H THR 75 8.779 8.552 -7.718 577 HA THR 75 HA THR 75 10.099 9.705 -9.898 578 HB THR 75 HB THR 75 12.132 8.612 -9.071 579 HG1 THR 75 HG1 THR 75 11.459 6.601 -8.447 580 HG21 THR 75 HG21 THR 75 11.607 9.252 -6.496 581 HG22 THR 75 HG22 THR 75 10.273 10.071 -7.307 582 HG23 THR 75 HG23 THR 75 11.938 10.441 -7.756 583 H LEU 76 H LEU 76 9.509 6.271 -9.162 584 HA LEU 76 HA LEU 76 10.609 5.399 -11.668 585 HB2 LEU 76 HB2 LEU 76 10.539 4.120 -9.449 586 HB3 LEU 76 HB3 LEU 76 8.862 3.763 -9.856 587 HG LEU 76 HG LEU 76 9.747 2.734 -11.999 588 HD11 LEU 76 HD11 LEU 76 12.206 1.882 -11.451 589 HD12 LEU 76 HD12 LEU 76 12.278 3.443 -10.634 590 HD13 LEU 76 HD13 LEU 76 11.897 3.366 -12.354 591 HD21 LEU 76 HD21 LEU 76 9.956 1.693 -9.249 592 HD22 LEU 76 HD22 LEU 76 10.801 0.769 -10.491 593 HD23 LEU 76 HD23 LEU 76 9.069 1.067 -10.640 594 H LYS 77 H LYS 77 7.377 5.860 -10.325 595 HA LYS 77 HA LYS 77 5.904 4.715 -12.415 596 HB2 LYS 77 HB2 LYS 77 5.295 5.891 -10.017 597 HB3 LYS 77 HB3 LYS 77 4.686 7.078 -11.163 598 HG2 LYS 77 HG2 LYS 77 2.900 5.610 -10.638 599 HG3 LYS 77 HG3 LYS 77 3.425 5.230 -12.280 600 HD2 LYS 77 HD2 LYS 77 3.066 3.168 -11.115 601 HD3 LYS 77 HD3 LYS 77 4.805 3.379 -11.333 602 HE2 LYS 77 HE2 LYS 77 3.734 4.506 -8.844 603 HE3 LYS 77 HE3 LYS 77 3.590 2.754 -8.976 604 HZ1 LYS 77 HZ1 LYS 77 6.029 4.410 -8.964 605 HZ2 LYS 77 HZ2 LYS 77 6.046 2.869 -9.661 606 HZ3 LYS 77 HZ3 LYS 77 5.660 3.053 -8.024 607 H GLU 78 H GLU 78 7.160 7.987 -11.971 608 HA GLU 78 HA GLU 78 5.951 8.967 -14.393 609 HB2 GLU 78 HB2 GLU 78 6.361 10.446 -12.462 610 HB3 GLU 78 HB3 GLU 78 8.092 10.202 -12.652 611 HG2 GLU 78 HG2 GLU 78 8.202 11.850 -14.116 612 HG3 GLU 78 HG3 GLU 78 7.002 11.064 -15.140 613 H ASP 79 H ASP 79 8.894 7.409 -13.512 614 HA ASP 79 HA ASP 79 10.397 8.278 -15.805 615 HB2 ASP 79 HB2 ASP 79 10.844 6.315 -13.587 616 HB3 ASP 79 HB3 ASP 79 11.866 6.249 -15.020 617 H ILE 80 H ILE 80 8.721 5.300 -14.847 618 HA ILE 80 HA ILE 80 9.349 3.830 -17.173 619 HB ILE 80 HB ILE 80 8.568 2.718 -15.155 620 HG12 ILE 80 HG12 ILE 80 6.944 1.186 -16.177 621 HG13 ILE 80 HG13 ILE 80 6.619 2.363 -17.444 622 HG21 ILE 80 HG21 ILE 80 6.912 4.627 -14.654 623 HG22 ILE 80 HG22 ILE 80 5.791 3.718 -15.667 624 HG23 ILE 80 HG23 ILE 80 6.459 2.982 -14.210 625 HD11 ILE 80 HD11 ILE 80 8.901 2.152 -18.244 626 HD12 ILE 80 HD12 ILE 80 9.258 1.004 -16.953 627 HD13 ILE 80 HD13 ILE 80 8.094 0.584 -18.211 628 H ARG 81 H ARG 81 6.640 5.937 -16.340 629 HA ARG 81 HA ARG 81 5.134 5.392 -18.693 630 HB2 ARG 81 HB2 ARG 81 3.655 7.062 -17.967 631 HB3 ARG 81 HB3 ARG 81 4.305 6.385 -16.479 632 HG2 ARG 81 HG2 ARG 81 4.577 8.549 -15.942 633 HG3 ARG 81 HG3 ARG 81 6.060 8.379 -16.883 634 HD2 ARG 81 HD2 ARG 81 4.825 10.381 -17.533 635 HD3 ARG 81 HD3 ARG 81 4.912 9.225 -18.861 636 HE ARG 81 HE ARG 81 2.542 8.689 -17.584 637 HH11 ARG 81 HH11 ARG 81 3.988 11.452 -19.131 638 HH12 ARG 81 HH12 ARG 81 2.473 12.127 -19.634 639 HH21 ARG 81 HH21 ARG 81 0.542 9.567 -18.240 640 HH22 ARG 81 HH22 ARG 81 0.514 11.054 -19.126 641 H LEU 82 H LEU 82 7.669 7.648 -17.873 642 HA LEU 82 HA LEU 82 7.311 9.391 -20.090 643 HB2 LEU 82 HB2 LEU 82 8.541 9.960 -18.005 644 HB3 LEU 82 HB3 LEU 82 9.825 8.866 -18.513 645 HG LEU 82 HG LEU 82 10.190 11.357 -18.888 646 HD11 LEU 82 HD11 LEU 82 11.567 10.927 -20.678 647 HD12 LEU 82 HD12 LEU 82 10.400 9.863 -21.462 648 HD13 LEU 82 HD13 LEU 82 11.298 9.300 -20.052 649 HD21 LEU 82 HD21 LEU 82 8.431 10.923 -21.286 650 HD22 LEU 82 HD22 LEU 82 9.141 12.427 -20.700 651 HD23 LEU 82 HD23 LEU 82 7.836 11.658 -19.797 652 H MET 83 H MET 83 9.400 6.590 -19.494 653 HA MET 83 HA MET 83 10.844 6.697 -21.898 654 HB2 MET 83 HB2 MET 83 10.152 4.408 -20.061 655 HB3 MET 83 HB3 MET 83 11.179 4.208 -21.474 656 HG2 MET 83 HG2 MET 83 12.942 5.178 -20.493 657 HG3 MET 83 HG3 MET 83 11.956 6.403 -19.698 658 HE1 MET 83 HE1 MET 83 10.814 2.550 -18.687 659 HE2 MET 83 HE2 MET 83 12.044 2.693 -19.943 660 HE3 MET 83 HE3 MET 83 12.483 2.093 -18.343 661 H VAL 84 H VAL 84 7.987 4.738 -21.052 662 HA VAL 84 HA VAL 84 7.608 3.533 -23.531 663 HB VAL 84 HB VAL 84 6.395 2.792 -21.561 664 HG11 VAL 84 HG11 VAL 84 4.559 4.061 -20.616 665 HG12 VAL 84 HG12 VAL 84 6.045 5.010 -20.549 666 HG13 VAL 84 HG13 VAL 84 4.828 5.361 -21.777 667 HG21 VAL 84 HG21 VAL 84 5.463 2.678 -24.016 668 HG22 VAL 84 HG22 VAL 84 4.482 2.144 -22.651 669 HG23 VAL 84 HG23 VAL 84 4.214 3.736 -23.361 670 H ASN 85 H ASN 85 6.587 6.689 -22.357 671 HA ASN 85 HA ASN 85 4.803 7.364 -24.400 672 HB2 ASN 85 HB2 ASN 85 6.431 8.879 -22.425 673 HB3 ASN 85 HB3 ASN 85 5.779 9.781 -23.789 674 HD21 ASN 85 HD21 ASN 85 5.183 9.661 -20.828 675 HD22 ASN 85 HD22 ASN 85 3.467 9.477 -20.753 676 H ASN 86 H ASN 86 8.266 8.163 -24.111 677 HA ASN 86 HA ASN 86 8.411 9.241 -26.752 678 HB2 ASN 86 HB2 ASN 86 9.929 9.674 -24.650 679 HB3 ASN 86 HB3 ASN 86 10.835 8.296 -25.268 680 HD21 ASN 86 HD21 ASN 86 12.636 9.528 -25.734 681 HD22 ASN 86 HD22 ASN 86 12.680 10.647 -27.049 682 H CYS 87 H CYS 87 8.549 6.087 -25.446 683 HA CYS 87 HA CYS 87 10.238 4.793 -27.266 684 HB2 CYS 87 HB2 CYS 87 9.150 3.896 -25.102 685 HB3 CYS 87 HB3 CYS 87 7.771 3.504 -26.122 686 HG CYS 87 HG CYS 87 10.491 1.778 -25.619 687 H ILE 88 H ILE 88 6.674 4.651 -27.291 688 HA ILE 88 HA ILE 88 6.578 3.777 -29.997 689 HB ILE 88 HB ILE 88 4.172 4.019 -29.835 690 HG12 ILE 88 HG12 ILE 88 3.531 4.821 -27.310 691 HG13 ILE 88 HG13 ILE 88 4.906 5.864 -27.653 692 HG21 ILE 88 HG21 ILE 88 3.793 2.376 -28.246 693 HG22 ILE 88 HG22 ILE 88 5.511 2.186 -28.593 694 HG23 ILE 88 HG23 ILE 88 4.995 3.031 -27.134 695 HD11 ILE 88 HD11 ILE 88 3.348 5.993 -29.943 696 HD12 ILE 88 HD12 ILE 88 2.194 6.015 -28.610 697 HD13 ILE 88 HD13 ILE 88 3.485 7.215 -28.678 698 H LEU 89 H LEU 89 6.456 6.894 -28.434 699 HA LEU 89 HA LEU 89 5.402 8.363 -30.619 700 HB2 LEU 89 HB2 LEU 89 5.314 9.289 -28.415 701 HB3 LEU 89 HB3 LEU 89 7.065 9.187 -28.249 702 HG LEU 89 HG LEU 89 6.449 10.817 -30.510 703 HD11 LEU 89 HD11 LEU 89 5.158 11.780 -27.967 704 HD12 LEU 89 HD12 LEU 89 4.266 11.097 -29.326 705 HD13 LEU 89 HD13 LEU 89 5.186 12.587 -29.536 706 HD21 LEU 89 HD21 LEU 89 8.440 10.722 -28.848 707 HD22 LEU 89 HD22 LEU 89 7.462 11.830 -27.885 708 HD23 LEU 89 HD23 LEU 89 7.947 12.276 -29.522 709 H PHE 90 H PHE 90 8.714 8.552 -29.314 710 HA PHE 90 HA PHE 90 9.848 9.734 -31.565 711 HB2 PHE 90 HB2 PHE 90 10.792 9.311 -29.146 712 HB3 PHE 90 HB3 PHE 90 11.465 7.860 -29.881 713 HD1 PHE 90 HD1 PHE 90 12.471 8.512 -32.385 714 HD2 PHE 90 HD2 PHE 90 12.316 10.997 -28.933 715 HE1 PHE 90 HE1 PHE 90 14.361 9.827 -33.251 716 HE2 PHE 90 HE2 PHE 90 14.205 12.317 -29.794 717 HZ PHE 90 HZ PHE 90 15.232 11.732 -31.955 718 H ASN 91 H ASN 91 10.186 6.320 -30.576 719 HA ASN 91 HA ASN 91 9.594 5.205 -33.060 720 HB2 ASN 91 HB2 ASN 91 12.099 6.466 -33.098 721 HB3 ASN 91 HB3 ASN 91 12.450 4.747 -32.948 722 HD21 ASN 91 HD21 ASN 91 10.522 3.560 -34.381 723 HD22 ASN 91 HD22 ASN 91 10.604 4.042 -36.038 724 H GLY 92 H GLY 92 8.732 3.436 -32.159 725 HA2 GLY 92 HA2 GLY 92 10.505 1.527 -30.893 726 HA3 GLY 92 HA3 GLY 92 9.249 2.163 -29.841 727 H ALA 93 H ALA 93 6.987 1.980 -30.699 728 HA ALA 93 HA ALA 93 6.651 -0.690 -31.852 729 HB1 ALA 93 HB1 ALA 93 5.462 -0.539 -29.852 730 HB2 ALA 93 HB2 ALA 93 4.875 1.085 -30.213 731 HB3 ALA 93 HB3 ALA 93 4.231 -0.301 -31.093 732 H GLU 94 H GLU 94 4.863 2.395 -32.073 733 HA GLU 94 HA GLU 94 3.787 3.403 -33.806 734 HB2 GLU 94 HB2 GLU 94 6.349 2.983 -34.627 735 HB3 GLU 94 HB3 GLU 94 5.453 2.160 -35.897 736 HG2 GLU 94 HG2 GLU 94 4.648 4.913 -35.097 737 HG3 GLU 94 HG3 GLU 94 6.067 4.685 -36.117 738 H GLY 95 H GLY 95 3.144 0.557 -33.028 739 HA2 GLY 95 HA2 GLY 95 0.962 0.095 -34.631 740 HA3 GLY 95 HA3 GLY 95 2.279 -0.764 -35.416 741 H ALA 96 H ALA 96 3.550 -1.277 -32.757 742 HA ALA 96 HA ALA 96 1.695 -3.364 -31.812 743 HB1 ALA 96 HB1 ALA 96 3.575 -4.840 -31.448 744 HB2 ALA 96 HB2 ALA 96 3.554 -4.304 -33.128 745 HB3 ALA 96 HB3 ALA 96 4.696 -3.591 -31.989 746 H TYR 97 H TYR 97 1.340 -1.187 -30.479 747 HA TYR 97 HA TYR 97 3.081 -0.354 -28.507 748 HB2 TYR 97 HB2 TYR 97 1.061 0.357 -27.249 749 HB3 TYR 97 HB3 TYR 97 1.008 0.821 -28.946 750 HD1 TYR 97 HD1 TYR 97 -0.346 -1.519 -26.435 751 HD2 TYR 97 HD2 TYR 97 -0.682 -0.022 -30.403 752 HE1 TYR 97 HE1 TYR 97 -2.530 -2.629 -26.662 753 HE2 TYR 97 HE2 TYR 97 -2.867 -1.126 -30.641 754 HH TYR 97 HH TYR 97 -4.621 -2.033 -29.360 755 H ALA 98 H ALA 98 1.154 -3.250 -28.657 756 HA ALA 98 HA ALA 98 1.076 -4.011 -25.991 757 HB1 ALA 98 HB1 ALA 98 1.600 -6.210 -27.856 758 HB2 ALA 98 HB2 ALA 98 0.238 -5.941 -26.767 759 HB3 ALA 98 HB3 ALA 98 0.284 -5.139 -28.336 760 H ASP 99 H ASP 99 3.742 -3.962 -28.208 761 HA ASP 99 HA ASP 99 5.439 -5.796 -26.891 762 HB2 ASP 99 HB2 ASP 99 6.005 -3.464 -28.722 763 HB3 ASP 99 HB3 ASP 99 7.273 -4.517 -28.102 764 H ALA 100 H ALA 100 4.885 -2.339 -26.496 765 HA ALA 100 HA ALA 100 6.992 -2.037 -24.552 766 HB1 ALA 100 HB1 ALA 100 5.240 -0.297 -26.046 767 HB2 ALA 100 HB2 ALA 100 5.304 0.169 -24.346 768 HB3 ALA 100 HB3 ALA 100 6.792 0.052 -25.284 769 H ALA 101 H ALA 101 3.636 -2.852 -24.528 770 HA ALA 101 HA ALA 101 3.071 -2.111 -21.838 771 HB1 ALA 101 HB1 ALA 101 1.204 -3.934 -22.250 772 HB2 ALA 101 HB2 ALA 101 1.129 -2.345 -23.013 773 HB3 ALA 101 HB3 ALA 101 1.716 -3.735 -23.926 774 H ARG 102 H ARG 102 4.450 -4.935 -23.361 775 HA ARG 102 HA ARG 102 4.109 -6.811 -21.321 776 HB2 ARG 102 HB2 ARG 102 5.162 -6.948 -23.766 777 HB3 ARG 102 HB3 ARG 102 6.660 -6.813 -22.855 778 HG2 ARG 102 HG2 ARG 102 4.810 -8.774 -21.748 779 HG3 ARG 102 HG3 ARG 102 5.321 -9.134 -23.398 780 HD2 ARG 102 HD2 ARG 102 7.265 -8.418 -21.220 781 HD3 ARG 102 HD3 ARG 102 6.750 -10.077 -21.520 782 HE ARG 102 HE ARG 102 7.609 -9.054 -23.947 783 HH11 ARG 102 HH11 ARG 102 8.958 -9.718 -20.807 784 HH12 ARG 102 HH12 ARG 102 10.552 -10.025 -21.413 785 HH21 ARG 102 HH21 ARG 102 9.703 -9.456 -24.757 786 HH22 ARG 102 HH22 ARG 102 10.975 -9.875 -23.659 787 H THR 103 H THR 103 6.870 -4.643 -21.929 788 HA THR 103 HA THR 103 8.284 -5.387 -19.587 789 HB THR 103 HB THR 103 9.419 -4.352 -21.497 790 HG1 THR 103 HG1 THR 103 9.712 -2.484 -19.409 791 HG21 THR 103 HG21 THR 103 7.715 -2.787 -22.217 792 HG22 THR 103 HG22 THR 103 9.205 -1.912 -21.866 793 HG23 THR 103 HG23 THR 103 7.871 -1.880 -20.713 794 H PHE 104 H PHE 104 5.821 -3.005 -20.261 795 HA PHE 104 HA PHE 104 6.157 -1.339 -18.037 796 HB2 PHE 104 HB2 PHE 104 4.701 -0.761 -19.923 797 HB3 PHE 104 HB3 PHE 104 3.604 -2.067 -19.488 798 HD1 PHE 104 HD1 PHE 104 2.167 -1.889 -17.538 799 HD2 PHE 104 HD2 PHE 104 4.757 1.292 -18.674 800 HE1 PHE 104 HE1 PHE 104 0.926 -0.357 -16.065 801 HE2 PHE 104 HE2 PHE 104 3.521 2.829 -17.202 802 HZ PHE 104 HZ PHE 104 1.603 2.004 -15.895 803 H GLU 105 H GLU 105 4.060 -4.185 -18.451 804 HA GLU 105 HA GLU 105 2.976 -4.182 -15.867 805 HB2 GLU 105 HB2 GLU 105 3.287 -6.230 -18.017 806 HB3 GLU 105 HB3 GLU 105 2.807 -6.766 -16.413 807 HG2 GLU 105 HG2 GLU 105 0.771 -5.752 -16.525 808 HG3 GLU 105 HG3 GLU 105 1.335 -4.491 -17.621 809 H LYS 106 H LYS 106 5.845 -5.796 -17.177 810 HA LYS 106 HA LYS 106 6.577 -7.334 -15.004 811 HB2 LYS 106 HB2 LYS 106 7.664 -7.095 -17.349 812 HB3 LYS 106 HB3 LYS 106 8.633 -5.834 -16.599 813 HG2 LYS 106 HG2 LYS 106 9.988 -7.671 -16.361 814 HG3 LYS 106 HG3 LYS 106 9.139 -7.656 -14.814 815 HD2 LYS 106 HD2 LYS 106 8.087 -9.594 -15.241 816 HD3 LYS 106 HD3 LYS 106 7.760 -9.154 -16.919 817 HE2 LYS 106 HE2 LYS 106 9.232 -10.837 -17.302 818 HE3 LYS 106 HE3 LYS 106 10.394 -9.528 -17.098 819 HZ1 LYS 106 HZ1 LYS 106 9.517 -11.224 -14.836 820 HZ2 LYS 106 HZ2 LYS 106 10.865 -10.205 -14.918 821 HZ3 LYS 106 HZ3 LYS 106 10.832 -11.639 -15.815 822 H PHE 107 H PHE 107 7.455 -3.951 -15.666 823 HA PHE 107 HA PHE 107 9.055 -3.489 -13.451 824 HB2 PHE 107 HB2 PHE 107 7.509 -1.831 -15.327 825 HB3 PHE 107 HB3 PHE 107 7.803 -1.080 -13.763 826 HD1 PHE 107 HD1 PHE 107 9.540 -2.794 -16.563 827 HD2 PHE 107 HD2 PHE 107 9.830 -0.042 -13.330 828 HE1 PHE 107 HE1 PHE 107 11.810 -2.185 -17.290 829 HE2 PHE 107 HE2 PHE 107 12.100 0.572 -14.052 830 HZ PHE 107 HZ PHE 107 13.093 -0.499 -16.035 831 H ALA 108 H ALA 108 5.539 -3.088 -13.766 832 HA ALA 108 HA ALA 108 4.954 -2.063 -11.272 833 HB1 ALA 108 HB1 ALA 108 3.132 -4.132 -12.388 834 HB2 ALA 108 HB2 ALA 108 2.764 -2.541 -11.719 835 HB3 ALA 108 HB3 ALA 108 3.441 -2.680 -13.341 836 H MET 109 H MET 109 5.364 -5.459 -12.210 837 HA MET 109 HA MET 109 4.667 -6.624 -9.767 838 HB2 MET 109 HB2 MET 109 5.051 -7.788 -11.987 839 HB3 MET 109 HB3 MET 109 6.774 -7.686 -11.648 840 HG2 MET 109 HG2 MET 109 6.711 -9.347 -10.144 841 HG3 MET 109 HG3 MET 109 5.157 -8.836 -9.489 842 HE1 MET 109 HE1 MET 109 4.168 -11.693 -9.462 843 HE2 MET 109 HE2 MET 109 3.420 -10.096 -9.447 844 HE3 MET 109 HE3 MET 109 2.844 -11.328 -10.570 845 H GLY 110 H GLY 110 7.712 -5.260 -10.897 846 HA2 GLY 110 HA2 GLY 110 9.322 -6.199 -8.763 847 HA3 GLY 110 HA3 GLY 110 9.697 -4.844 -9.818 848 H LYS 111 H LYS 111 7.629 -3.116 -9.266 849 HA LYS 111 HA LYS 111 8.512 -1.743 -7.040 850 HB2 LYS 111 HB2 LYS 111 6.948 -0.983 -8.948 851 HB3 LYS 111 HB3 LYS 111 5.646 -1.606 -7.943 852 HG2 LYS 111 HG2 LYS 111 7.173 -0.008 -6.244 853 HG3 LYS 111 HG3 LYS 111 7.073 0.885 -7.763 854 HD2 LYS 111 HD2 LYS 111 5.169 1.595 -6.659 855 HD3 LYS 111 HD3 LYS 111 4.547 0.273 -7.649 856 HE2 LYS 111 HE2 LYS 111 5.152 -1.147 -5.508 857 HE3 LYS 111 HE3 LYS 111 4.981 0.413 -4.706 858 HZ1 LYS 111 HZ1 LYS 111 2.952 -1.263 -5.195 859 HZ2 LYS 111 HZ2 LYS 111 2.850 -0.249 -6.545 860 HZ3 LYS 111 HZ3 LYS 111 2.772 0.406 -4.988 861 H ILE 112 H ILE 112 5.830 -4.046 -7.282 862 HA ILE 112 HA ILE 112 4.882 -3.779 -4.654 863 HB ILE 112 HB ILE 112 4.794 -6.229 -6.418 864 HG12 ILE 112 HG12 ILE 112 2.696 -4.087 -6.028 865 HG13 ILE 112 HG13 ILE 112 3.809 -4.131 -7.391 866 HG21 ILE 112 HG21 ILE 112 2.541 -6.073 -4.745 867 HG22 ILE 112 HG22 ILE 112 3.848 -7.255 -4.694 868 HG23 ILE 112 HG23 ILE 112 3.948 -5.789 -3.720 869 HD11 ILE 112 HD11 ILE 112 2.577 -5.631 -8.463 870 HD12 ILE 112 HD12 ILE 112 2.418 -6.646 -7.029 871 HD13 ILE 112 HD13 ILE 112 1.318 -5.289 -7.276 872 H ASP 113 H ASP 113 7.292 -5.973 -6.050 873 HA ASP 113 HA ASP 113 7.793 -7.593 -3.871 874 HB2 ASP 113 HB2 ASP 113 9.696 -6.544 -5.971 875 HB3 ASP 113 HB3 ASP 113 10.123 -7.800 -4.812 876 H ALA 114 H ALA 114 9.207 -4.427 -4.622 877 HA ALA 114 HA ALA 114 10.973 -4.312 -2.437 878 HB1 ALA 114 HB1 ALA 114 10.132 -1.685 -3.035 879 HB2 ALA 114 HB2 ALA 114 11.602 -2.506 -3.560 880 HB3 ALA 114 HB3 ALA 114 10.146 -2.585 -4.552 881 H TYR 115 H TYR 115 7.596 -3.354 -2.791 882 HA TYR 115 HA TYR 115 7.207 -1.898 -0.486 883 HB2 TYR 115 HB2 TYR 115 5.497 -2.292 -2.253 884 HB3 TYR 115 HB3 TYR 115 5.272 -3.922 -1.630 885 HD1 TYR 115 HD1 TYR 115 5.717 -0.764 0.284 886 HD2 TYR 115 HD2 TYR 115 3.071 -3.901 -0.839 887 HE1 TYR 115 HE1 TYR 115 4.047 0.082 1.879 888 HE2 TYR 115 HE2 TYR 115 1.393 -3.064 0.753 889 HH TYR 115 HH TYR 115 1.880 -0.055 2.521 890 H ILE 116 H ILE 116 6.877 -5.426 -0.855 891 HA ILE 116 HA ILE 116 6.349 -5.946 1.866 892 HB ILE 116 HB ILE 116 7.578 -7.805 -0.173 893 HG12 ILE 116 HG12 ILE 116 4.849 -8.391 0.308 894 HG13 ILE 116 HG13 ILE 116 4.952 -6.658 0.017 895 HG21 ILE 116 HG21 ILE 116 6.602 -9.577 1.270 896 HG22 ILE 116 HG22 ILE 116 7.890 -8.659 2.047 897 HG23 ILE 116 HG23 ILE 116 6.206 -8.334 2.457 898 HD11 ILE 116 HD11 ILE 116 5.336 -8.910 -1.816 899 HD12 ILE 116 HD12 ILE 116 4.778 -7.267 -2.128 900 HD13 ILE 116 HD13 ILE 116 6.504 -7.600 -1.983 901 H SER 117 H SER 117 9.334 -5.732 0.018 902 HA SER 117 HA SER 117 11.085 -6.827 1.912 903 HB2 SER 117 HB2 SER 117 11.298 -5.504 -0.599 904 HB3 SER 117 HB3 SER 117 12.405 -4.708 0.520 905 HG SER 117 HG SER 117 12.781 -6.977 -0.731 906 H GLN 118 H GLN 118 9.748 -3.597 1.568 907 HA GLN 118 HA GLN 118 11.078 -2.841 4.087 908 HB2 GLN 118 HB2 GLN 118 10.814 -0.472 3.289 909 HB3 GLN 118 HB3 GLN 118 11.945 -1.445 2.358 910 HG2 GLN 118 HG2 GLN 118 9.422 -1.736 1.141 911 HG3 GLN 118 HG3 GLN 118 9.642 -0.019 1.473 912 HE21 GLN 118 HE21 GLN 118 11.942 -2.567 0.601 913 HE22 GLN 118 HE22 GLN 118 12.538 -1.784 -0.819 914 H LYS 119 H LYS 119 9.226 -3.880 5.129 915 HA LYS 119 HA LYS 119 6.760 -2.284 4.989 916 HB2 LYS 119 HB2 LYS 119 5.805 -4.278 6.291 917 HB3 LYS 119 HB3 LYS 119 6.192 -4.525 4.593 918 HG2 LYS 119 HG2 LYS 119 8.264 -5.625 5.196 919 HG3 LYS 119 HG3 LYS 119 7.951 -5.318 6.906 920 HD2 LYS 119 HD2 LYS 119 5.887 -6.766 5.322 921 HD3 LYS 119 HD3 LYS 119 7.351 -7.635 5.789 922 HE2 LYS 119 HE2 LYS 119 6.659 -7.828 7.899 923 HE3 LYS 119 HE3 LYS 119 6.266 -6.112 7.997 924 HZ1 LYS 119 HZ1 LYS 119 4.530 -8.260 6.908 925 HZ2 LYS 119 HZ2 LYS 119 4.157 -6.611 6.863 926 HZ3 LYS 119 HZ3 LYS 119 4.295 -7.406 8.349 927 H VAL 120 H VAL 120 9.246 -3.496 7.148 928 HA VAL 120 HA VAL 120 7.982 -2.325 9.485 929 HB VAL 120 HB VAL 120 9.201 -4.472 9.665 930 HG11 VAL 120 HG11 VAL 120 11.402 -4.753 9.175 931 HG12 VAL 120 HG12 VAL 120 11.047 -3.449 8.040 932 HG13 VAL 120 HG13 VAL 120 11.820 -3.089 9.584 933 HG21 VAL 120 HG21 VAL 120 9.524 -3.974 11.809 934 HG22 VAL 120 HG22 VAL 120 10.906 -2.951 11.415 935 HG23 VAL 120 HG23 VAL 120 9.277 -2.277 11.396 936 H GLY 121 H GLY 121 10.592 -1.631 7.254 937 HA2 GLY 121 HA2 GLY 121 12.048 0.262 8.645 938 HA3 GLY 121 HA3 GLY 121 11.799 0.293 6.906 939 H GLY 122 H GLY 122 9.483 1.099 6.307 940 HA2 GLY 122 HA2 GLY 122 8.092 2.859 7.981 941 HA3 GLY 122 HA3 GLY 122 9.315 3.789 7.128 942 H LEU 123 H LEU 123 7.682 1.002 5.764 943 HA LEU 123 HA LEU 123 6.167 2.801 3.994 944 HB2 LEU 123 HB2 LEU 123 8.312 1.193 3.248 945 HB3 LEU 123 HB3 LEU 123 6.884 0.299 2.732 946 HG LEU 123 HG LEU 123 6.170 2.477 1.582 947 HD11 LEU 123 HD11 LEU 123 8.018 3.955 0.944 948 HD12 LEU 123 HD12 LEU 123 9.097 3.059 2.012 949 HD13 LEU 123 HD13 LEU 123 7.741 3.963 2.686 950 HD21 LEU 123 HD21 LEU 123 7.633 0.283 0.748 951 HD22 LEU 123 HD22 LEU 123 8.545 1.661 0.130 952 HD23 LEU 123 HD23 LEU 123 6.842 1.472 -0.289 953 H GLU 124 H GLU 124 6.423 -0.381 5.487 954 HA GLU 124 HA GLU 124 4.852 -1.901 6.115 955 HB2 GLU 124 HB2 GLU 124 2.786 0.235 5.598 956 HB3 GLU 124 HB3 GLU 124 2.662 -1.141 6.686 957 HG2 GLU 124 HG2 GLU 124 4.558 -0.126 7.997 958 HG3 GLU 124 HG3 GLU 124 4.353 1.319 7.008
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